Browse by Schools (complete)

, Pramanik, Milan and Melen, Rebecca

2025. B(C6F5)3 Catalyzed regiodivergent thioetherifications of alkenes via thiiranium intermediates: experimental and computational insights. Chemistry - A European Journal 31 (10) , e202404236. 10.1002/chem.202404236

Baldwin, Alex

, Foley, David, Collins, Ross, Lee, Hyunah, Jones, D. Heulyn, Wahab, Ben, Waters, Loren, Pedder, Josephine, Paine, Marie, Feng, Gui, Privitera, Lucia, Ashall-Kelly, Alexander, Thomas, Carys, Gillespie, Jason, Schino, Lauramariu, Belelli, Delia, Rocha, Cecilia, Maussion, Gilles, Krahn, Andrea, Durcan, Thomas, Elkins, Jonathan, Lambert, Jeremy, Atack, John

and Ward, Simon

2025. Discovery of MDI-114215: A potent and selective LIMK inhibitor to treat Fragile X Syndrome. Journal of Medicinal Chemistry 68 (1) , pp. 719-752. 10.1021/acs.jmedchem.4c02694

Basu, Shalmali, Rana, Nabakumar, Morgan, David

and Sen, Kamalika 2025. Gold nanoparticle incorporated graphene oxide as a SERS platform for ultratrace antibody free sensing of the cancer biomarker CEA. Langmuir 41 (11) , 7886–7901. 10.1021/acs.langmuir.5c00522
Item availability restricted.

Bhaduri, Debajyoti

, Baramate, Karan A., Gangopadhyay, Soumya and Davies, Thomas E. 2025. Circular manufacturing of binder jetting additive parts from Ti-6Al-4 V machining chips. CIRP Annals - Manufacturing Technology 10.1016/j.cirp.2025.03.037

Bhattacherjee, Dhananjay, Kariuki, Benson M.

, Piscelli, Bruno A., Cormanich, Rodrigo A. and Wirth, Thomas

2025. Synthesis and reactivity of six‐membered cyclic diaryl λ3‐bromanes and λ3‐chloranes. Angewandte Chemie , e202424559. 10.1002/ange.202424559

Blackstock, Chelsea, Walters-Freke, Caitlin, Richards, Nigel

and Williamson, Adele 2025. Nucleic acid joining enzymes: biological functions and synthetic applications beyond DNA. Biochemical Journal 482 (2) , pp. 39-56. 10.1042/BCJ20240136

Boucher, Alexandre, Beevers, Cameron, Gauthier, Bertrand

and Roldan, Alberto

2025. Machine learning force field for optimization of isolated and supported transition metal particles. Journal of Chemical Theory and Computation 21 (5) , pp. 2626-2637. 10.1021/acs.jctc.4c01606

Bowker, Michael

2025. Alloying effects on the reactivity of Pd are ensemble dominated. Surface Science 751 , 122620. 10.1016/j.susc.2024.122620

Camacho, Sandra Yurani Toledo, Cabello, Francisco Mediana, Iglesias, Sandra Contreras, Davies, Philip R.

and Chachvalvutikul, Auttaphon 2025. Layered double hydroxides for H2 generation by the photoreforming of organic compounds. Catalysis Today 448 , 115168. 10.1016/j.cattod.2024.115168
Item availability restricted.

Carpenter, Barry K.

2025. An argument for abandoning the "allowed" and "forbidden" classification of electrocyclic reactions. Chemical Science 16 (10) , pp. 4264-4278. 10.1039/d4sc08748h

Catlow, C. Richard A.

2025. Editorial: new Editor-in-Chief and the 360th anniversary of Philosophical Transactions. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 383 (2288) , 20240557. 10.1098/rsta.2024.0557

Chen, Yifan, Young, Benjamin J., Aliev, Gazi N., Kordatos, Apostolos, Popov, Ilya, Ghaderzadeh, Sadegh, Liddy, Thomas J., Cull, William J., Kohlrausch, Emerson C., Weilhard, Andreas, Hutchings, Graham J.

, Besley, Elena, Theis, Wolfgang, Alves Fernandes, Jesum and Khlobystov, Andrei N. 2025. Evolution of amorphous ruthenium nanoclusters into stepped truncated nano-pyramids on graphitic surfaces boosts hydrogen production from ammonia. Chemical Science 16 , pp. 2648-2660. 10.1039/D4SC06382A

Cheung, S. J., Masud, N., Robison-Smith, C., Hansal, P., Davies-Jones, J., Ward, B. D.

and Cable, J.

2025. Assessing the chemical interactions and biological effects of a petrochemical and bio-based plastic with a common plastic flame retardant and solvent. Science of the Total Environment 958 , 177958.

Craco, L., Carara, S.S., de Arruda, A.S., de Arruda, P.H.Z. and Leoni, S.

2025. Tunable analog and nearly digital responses in hole-doped LiNbO2 memristors. Solid State Communications 401 , 115911. 10.1016/j.ssc.2025.115911
Item availability restricted.

Cui, Chunyu, Xu, Liang, Yu, Peiping, Wang, Nan, Ni, Fenglou, Guo, Wen, Yang, Hao, Cheng, Tao and Zhang, Bo 2025. Cation enrichment promotes high-rate CO electroreduction to C2+ liquid products. Chemistry-Sustainability-Energy-Materials 18 (2) , e202400940. 10.1002/cssc.202400940
Item availability restricted.

Douglas, Gordon J., Richards, Emma

and Sproules, Stephen 2025. A self-assembled metallo-macrocycle two-qubit spin system. Chemical Communications 61 (4) , pp. 685-688. 10.1039/d4cc03859b

Ekim, Utku, Ilter, Emre, Çelik, Harun Samet, Genc, Aziz, Slater, Thomas J.A.

, Çelikbilek Ersundu, Miray and Ersundu, Ali Erçin 2025. Sm2O3-doped CsPbBr1I2 perovskite quantum dot glass nanocomposites for enhanced plant growth lighting. Materials Today Chemistry 45 , 102624. 10.1016/j.mtchem.2025.102624

Item availability restricted.

El Moutaouakil Ala Allah, Abderrazzak, Kariuki, Benson M

, Guerrab, Walid, Alsubari, Abdulsalam, Said, Musa A, Mague, Joel T and Ramli, Youssef 2025. Synthesis, crystal structure and Hirshfeld surface analysis of 5,5-diphenyl-2-[2-(propan-2-ylidene)hydrazin-1-yl]-4,5-dihydro-1H-imidazol-4-one N,N-dimethylformamide hemisolvate. Acta Crystallographica Section E: Crystallographic Communications 81 (Pt 2) , pp. 109-113. 10.1107/s2056989025000076

Elliott, Mark C.

, Hughes, Colan E., Knowles, Peter J.

2025. Alkyl groups in organic molecules are NOT inductively electron-releasing. Organic and Biomolecular Chemistry 23 (2) , pp. 352-359. 10.1039/D4OB01572J

Elsherbeni, Salma A., Maqbool, Tahir, Bari, Md Abdul, AlQahtani, Eman M. and Morrill, Louis C.

2025. Shining a light on Fe-catalyzed borrowing hydrogen alkylation. Trends in Chemistry 10.1016/j.trechm.2025.02.001

Ferreira, Lucas Coral, de Souza Galaverna, Renan, McBride, Tom, Costa e Silva, Rodrigo, Browne, Duncan L.

and Pastre, Julio Cezar 2025. Fast and scalable continuous flow synthesis of butenolides and coumarins. Reaction Chemistry and Engineering 10.1039/d4re00567h

Filipini Ferreira, Gabriela, Pinto, Luisa F. Ríos, Maciel Filho, Rubens, Fregolente, Leonardo V., Hayward, James and Bartley, Jonathan

2025. Ethanol-based transesterification of rapeseed oil with CaO Catalyst: process optimization and validation using microalgal lipids. Catalysis Letters 155 , 84. 10.1007/s10562-024-04921-6

Han, Xu, Zhang, Ting, Biset‐Peiró, Martí, Roldan, Alberto

, Ceccato, Marcel, Lock, Nina, Pedersen, Steen Uttrup, Morante, Joan Ramon, Arbiol, Jordi and Daasbjerg, Kim 2025. Mesopore-augmented electrochemical CO2 reduction on nitrogen-doped carbon. Small 21 (10) , 2406883. 10.1002/smll.202406883
Item availability restricted.

Harris, Kenneth D.M.

and Hughes, Colan E. 2025. NMR crystallization: The application of NMR strategies to monitor the evolution of crystallization processes. Bryce, David L., ed. Modern NMR Crystallography: Concepts and Applications, Vol. 36. New Developments in NMR, Royal Society of Chemistry, pp. 342-371. (10.1039/9781837673179-00342)

Hawkins, Bryson Andrew, Adair, Liam, Ryder, William, Du, Jonathan, Najib, Elias, New, Elizabeth, Gale, Philip, Platts, James

, Groundwater, Paul and Hibbs, David 2025. Influence of halogen substituents on the photophysical properties of 7‐hydroxycoumarin: Insights from experimental and theoretical studies. ChemPhysChem 26 (5) , e202400812. 10.1002/cphc.202400812
Item availability restricted.

Huang, Sheng-Eng, Tan, Howard

, Sahu, Rama Shanker, Geleta, Tesfaye Abebe, Miri, Ashkan, Lin, Chen-yu, Shih, Yang-hsin and Chen, Wen-Ling 2025. Facile synthesis and optimization of graphitic carbon nitride nanoparticles to effectively photodegrade tetracycline under visible light in water. ACS agricultural science & technology 5 (2) , pp. 235-245. 10.1021/acsagscitech.4c00637

Huang, Yang, Wu, Chengyang, Lu, Anjing, Wang, Jingzhe, Liang, Jian, Sun, Han, Yang, Liqing, Duan, Shixiang, Berezin, Andrey A., Wu, Chuanliu, Zhang, Bo, Wu, Yi-Lin

and Tsai, Yu-Hsuan 2025. A single bioorthogonal reaction for multiplex cell surface protein labeling. Journal of the American Chemical Society 147 (2) , 1612–1623. 10.1021/jacs.4c11701

Hughes, Colan E., Kariuki, Benson M.

, Almetahr, Abrar, Saint-Mart, Jessica, Williams, Andrew, Samperisi, Laura and Harris, Kenneth D. M.

2025. Solid-state structure of xanthine determined by a combination of 3D electron diffraction, powder x-ray diffraction, and DFT-D calculations. Crystal Growth and Design 25 (4) , pp. 895-902. 10.1021/acs.cgd.4c01717

Hughes, Colan E., Ratnasingam, Naomi V., Williams, Andrew, Benhenou, Erwan, Patterson, Rhian and Harris, Kenneth D. M.

2025. NMR crystallization: In-situ NMR strategies for monitoring the evolution of crystallization processes. Faraday Discussions 255 , pp. 520-552. 10.1039/D4FD00079J

Hughes, Rory, Davies, Philip R.

, Brennan, Colin and Lennon, David 2025. Toward a generic model for phosgene synthesis catalysis over activated carbon. ChemCatChem 17 (5) , e202401118. 10.1002/cctc.202401118

Ibarra-Barreno, Carolina M., Chowdhury, Sanchari, Crosta, Martina, Zehra, Tashfeen, Fasano, Francesco, Kundu, Paromita, Verstraelen, Jenthe, Bals, Sara, Subrati, Mohammed, Bonifazi, Davide

, Costa, Rubén D. and Rudolf, Petra 2025. Bottom-up fabrication of BN-doped graphene electrodes from thiol-terminated borazine molecules working in solar cells. ACS Applied Materials & Interfaces 10.1021/acsami.4c23116

Ibbott, Alexandra R., Miquel Fosco, Paula, Alenazy, Deemah M. and Pope, Simon J. A.

2025. Luminescent Ru(II) complexes based on functionalised 1,10-phenanthroline derivatised ligands towards bioconjugated probes. Inorganica Chimica Acta 579 , 122561. 10.1016/j.ica.2025.122561

Ibraheem, Hanan, El-Hiti, Gamal, Yousif, Emad, Ahmed, Dina, Kariuki, Benson

, Ismael, Shams and Bufaroosha, Muna 2025. Enhancing photostability of chemically modified poly(vinyl chloride) through the incorporation of organotin moieties on the polymeric chains. Trends in Sciences 22 (4) , 9413. 10.48048/tis.2025.9413

Isaacs, M. A., Graf, A. and Morgan, D. J.

2025. XPS insight note: Multiplet splitting in X‐Ray photoelectron spectra. Surface and Interface Analysis 10.1002/sia.7383

Johnson, Luke Alan

2025. Engineering terpene synthases and their substrates for the biocatalytic production of terpene natural products and analogues. Chemical Communications 61 (12) , pp. 2468-2483. 10.1039/D4CC05785F

Jurado A., David A., Higham, Michael D., Poh, Yong Rui, Catlow, C. Richard A.

and Krossing, Ingo 2025. Mechanism of CO2 conversion to methanol on a highly representative model Cu/ZnO interface. Journal of Catalysis 446 , 115997. 10.1016/j.jcat.2025.115997

Kang, Xinchen, Li, Lili, Wang, Hengan, Luo, Tian, Xu, Shaojun, Chen, Yinlin, Carter, Joseph H., Wang, Zi, Sheveleva, Alena M., Lyu, Kai, Han, Xue, Tuna, Floriana, McInnes, Eric J. L., Tang, Chiu C., Liu, Lifei, Han, Buxing, Gibson, Emma K., Catlow, C. Richard A.

, Yang, Sihai and Schröder, Martin 2025. Hierarchical porous metal–organic polyhedra for efficient oxidative cleavage of β-o-4 bonds in lignin model compound. CCS Chemistry 10.31635/ccschem.024.202404991

Kelly, Nicole L., Borthwick, Emma A. L., Lawrence, Gaynor B., Wheatley, Paul S., Hughes, Colan E., Harris, Kenneth D. M.

, Morris, Russell E. and Ashbrook, Sharon E. 2025. Exploiting in situ NMR spectroscopy to understand non-traditional methods for zeolite synthesis. Chemical Science 16 (10) , pp. 4245-4255. 10.1039/d4sc07931k

Koczor, Sándor, Szentkirályi, Ferenc, Vuts, József, Caulfield, John C., Withall, David M., Pickett, John

, Birkett, Michael A. and Tóth, Miklós 2025. Species- and context-dependent responses of green lacewings suggest a complex ecological role for methyl salicylate (Neuroptera: Chrysopidae). Scientific Reports 15 (1) , 1277. 10.1038/s41598-025-96730-z

Le Bahers, Tangui, Lastusaari, Mika, Weller, Mark, Friis, Henrik and van Goethem, Ludo 2025. Photochromic sodalites: From natural minerals to advanced applied materials. Accounts of Chemical Research 58 (3) , pp. 330-341. 10.1021/acs.accounts.4c00624

Lemishko, Kateryna, Armstrong, Gregory S. J., Mohr, Sebastian, Nelson, Anna, Tennyson, Jonathan and Knowles, Peter J.

2025. Machine learning-based estimator for electron impact ionization fragmentation patterns. Journal of Physics D: Applied Physics 58 (10) , 105208. 10.1088/1361-6463/ada37e

Li, Da, Liu, Jiabei, Chen, Xinyi, Feng, Zhiming, Wang, Shaohong, Wang, Yucheng, Lin, Nan, Wu, Jing and Feng, Yujie 2025. Regulation of coordinated nitrogen species for atomically dispersed Fe-N5 catalyst to boost electrocatalytic CO2-to-CO conversion. Applied Catalysis B: Environment and Energy 365 , 124824. 10.1016/j.apcatb.2024.124824

Item availability restricted.

Li, Peirou, Newsome, Laura, Graf, Arthur, Hudson-Edwards, Karen A., Morgan, David

and Crane, Richard 2025. Removal of vanadium(V) ions from acidic water using reusable manganese oxide sorbents. Journal of Hazardous Materials 490 , 137765. 10.1016/j.jhazmat.2025.137765

Li, Rong-Jian, Lewis, Richard J., Lopez-Martín, Ángeles, Morgan, David J.

, Davies, Thomas E., Kordus, David, Dugulan, A. Iulian, Roldan Cuenya, Beatriz and Hutchings, Graham J.

2025. Promoting H2O2 direct synthesis through Fe incorporation into AuPd catalysts. Green Chemistry 27 (7) , pp. 2065-2077. 10.1039/D5GC00134J

Li, Wenjing, Chen, Dingming, Lou, Zhenxin, Yuan, Haiyang, Fu, Xiaopeng, Lin, Hao Yang, Lin, Miaoyu, Hou, Yu, Qi, Haifeng, Liu, Peng Fei, Yang, Hua Gui and Wang, Haifeng 2025. Inhibiting overoxidation of dynamically evolved RuO2 to achieve a win–win in activity–stability for acidic water electrolysis. Journal of the American Chemical Society 147 (12) , pp. 10446-10458. 10.1021/jacs.4c18300
Item availability restricted.

Liu, Taifeng, Zhang, Xingfan, Guan, Jingcheng, Chen, Xuebo, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C. Richard A.

and Sokol, Alexey A. 2025. Origins of intrinsic p-type conductivity, p–n transition and substoichiometry in SrO. Journal of Materials Chemistry A: materials for energy and sustainability 13 (10) , pp. 7176-7186. 10.1039/d4ta07690g

Lou, Yaoyin, Huang, Xiaoyang Jerry, Zhao, Kuang-Min, Douthwaite, Mark J., Fan, Tingting, Lu, Fa, Akdim, Ouardia, Tian, Na, Sun, Shigang and Hutchings, Graham J.

2025. Stable core-shell Janus BiAg bimetallic catalyst for CO2 electrolysis into formate. Chinese Chemical Letters 36 (3) , 110300. 10.1016/j.cclet.2024.110300
Item availability restricted.

Lu, Shuai, Wang, Shaobo, Zhang, Jinglai, Xian, Guang, Qian, Yichi and Du, Hongbiao 2025. Investigation of biocrude production from spirulina via catalytic hydrothermal liquefaction with the Ru/ZrO2−SiO2 catalyst. ACS Omega 10 (2) , 1966–1975. 10.1021/acsomega.4c07632

Mai, Yuanqiang, Zhang, Dongsheng, Maliutina, Kristina, Leng, Xueyang, Cai, Nengjun, Li, Jialu, Wang, Chao, Huang, Yu, Zhang, Kai, Zhang, Wujun, Li, Yongwang, Besenbacher, Flemming, Niemantsverdriet, Hans, Liang, Wenting, Shen, Yanbin, Lim, Tingbin, Richards, Emma

and Su, Ren 2025. Photocatalytic partial water oxidation promoted by a hydrogen acceptor-hydroxyl mediator couple. Advanced Science 12 (6) , 2410680. 10.1002/advs.202410680

Maimoune, Imane, Kariuki, Benson M.

, El Moutaouakil Ala Allah, Abderrazzak, Nchioua, Intissar, Alsubari, Abdulsalam, Mague, Joel T., Zarrouk, Abdelkader and Ramli, Youssef 2025. Crystal structure and Hirshfeld surface analysis of <i>N</i>-(4-nitro-phen-yl)-2-(piperidin-1-yl)acetamide (lidocaine analogue). Acta Crystallographica Section E: Crystallographic Communications 81 (Pt 1) , pp. 69-73. 10.1107/s205698902401185x

Marcotti, Stefania, Jones, Martin L., Slater, Thomas J. A.

and Barry, David J. 2025. Enhancing research through image analysis workshops: Experiences and best practices. Microscopy Research & Technique 88 (4) , pp. 922-935. 10.1002/jemt.24769

Martinez-Topete, Andrea, Jimenez-Relinque, Eva, Dappozze, Frederic, Salli, Sofia, Genç, Aziz, Slater, Thomas

, Guillard, Chantal, Folli, Andrea

and Castellote, Marta 2025. Bismuth oxyiodides: photocatalytic performance, by-products, and degradation pathways. Journal of Materials Science: Materials in Engineering 20 , 39. 10.1186/s40712-025-00251-6

Matam, Santhosh K., Boudjema, Lotfi, Quesne, Matthew G., Taylor, James D. and Catlow, C. Richard A.

2025. A complementary experimental and computational study on methanol adsorption isotherms of H-ZSM-5. Physical Chemistry Chemical Physics 27 (5) , pp. 2601-2614. 10.1039/d4cp03761h
Item availability restricted.

Matam, Santhosh K., Sharma, P. K., Yu, E. H., Drivas, C., Khan, M. D., Wilding, M., Ramanan, N., Gianolio, D., Isaacs, M. A., Guan, S., Davies, P. R.

2025. Operando X-ray absorption spectroscopic flow cell for electrochemical CO2 reduction: new insight into the role of copper species. Catalysis Science & Technology 15 (4) , pp. 1070-1081. 10.1039/D4CY00602J

Mishra, Pawan

, Hind, Jasmine, Fallis, Ian A.

and Tredwell, Matthew

2025. Radiochemical synthesis of alkyl geminal 18F-difluoroalkyl motifs mediated by silver(I) oxide. Organic Letters 27 (7) , pp. 1724-1728. 10.1021/acs.orglett.5c00187

Mohamed-Ezzat, Reham A., Hasanin, Mohamed S., Kariuki, Benson M.

and Dacrory, Sawsan 2025. Synthesis and crystal structure of piperidinyl propanenitrile towards the preparation of piperidine based bioactive films for drug delivery applications. Scientific Reports 15 (1) , 705. 10.1038/s41598-024-81996-6

Mohamed-Ezzat, Reham A., Kariuki, Benson M.

, Al-Ashmawy, Aisha A. K. and Srour, Aladdin M. 2025. Synthesis and crystal structure of 5-{(E)-[(1H-indol-3-ylformamido)imino]methyl}-2-methoxyphenyl propane-1-sulfonate. Acta Crystallographica Section E: Crystallographic Communications 81 (Pt 4) , pp. 310-313. 10.1107/s2056989025002087

Morgan, David J.

2025. The utility of adventitious carbon for charge correction: a perspective from a second multiuser facility. Surface and Interface Analysis 57 (1) , pp. 28-35. 10.1002/sia.7360

Nieva de la Hidalga, Abraham

, Liborio, Leandro, Austin, Patrick, Devadasan, Subindev, Underwood, Tom, Belozerov, Alexander, Wilding, Martin, Ramanan, Nitya and Catlow, C. Richard A.

2025. Facilitating reproducibility in catalysis research with managed workflows and RO-Crates: a Galaxy case study. ChemCatChem , e202401676. 10.1002/cctc.202401676

Niu, Shanshan, Yang, Ji, Qi, Haifeng, Qian, Lei-Lei, Du, Pan, Si, Nan, Gu, Xiaomin, Jiang, Dawei and Feng, Yan 2025. Nickel single atoms anchored on pyridinic N dominated porous carbon for enhanced electrochemical 4‐electron oxygen reduction. ChemCatChem 10.1002/cctc.202401934
Item availability restricted.

Peng, Mi, Ge, Yuzhen, Gao, Rui, Yang, Jie, Li, Aowen, Xie, Zhiheng, Yu, Qiaolin, Zhang, Jie, Asakura, Hiroyuki, Zhang, Hui, Liu, Zhi, Zhang, Qi, Deng, Jin, Zhou, Jihan, Zhou, Wu, Hutchings, Graham J

and Ma, Ding 2025. Thermal catalytic reforming for hydrogen production with zero CO2 emission. Science 387 (6735) , pp. 769-775. 10.1126/science.adt0682

Pinder, Joshua W., Kulbacki, Braxton, Baer, Donald R., Biesinger, Mark, Castle, James, Castner, David G., Easton, Christopher D., Grant, John T., Greczynski, Grzegorz, Harmer, Sarah L., Hughes, Anthony E., Isaacs, Mark, Kövér, László, Major, George H., Morgan, David J.

, Powell, Cedric J., Sherwood, Peter M. A., Skinner, William M., Stowers, Kara, Terry, Jeff and Linford, Matthew R. 2025. What's in a Name? “ESCA” or “XPS”? A discussion of comments made by Kai Siegbahn more than four decades ago regarding the name of the technique. Surface and Interface Analysis 57 (5) , pp. 368-377. 10.1002/sia.7392
Item availability restricted.

Pinder, Joshua W., Malatinova, Michaela, Kovařík, Martin, Austin, Daniel E., Šikola, Tomáš, Tougaard, Sven, Morgan, David J.

, Isaacs, Mark, Průša, Stanislav and Linford, Matthew R. 2025. Much ado about nothing? Background anomalies without accompanying primary peaks in X‐ray photoelectron spectroscopy and low energy Ion scattering. Surface and Interface Analysis 57 (4) , pp. 264-274. 10.1002/sia.7378
Item availability restricted.

Pitchers, Jack R., Carter, James, Genc, Aziz, Slater, Thomas

, Oakley, Alice Elizabeth, Vandegehuchte, Bart, Taylor, Stuart H.

2025. The selective oxidation of methanol to formaldehyde using novel iron molybdate catalysts prepared by supercritical antisolvent precipitation. Catalysis Science & Technology 10.1039/D5CY00211G

Platts, James A.

and Tolbatov, Iogann 2025. Insight into uranyl binding by cyclic peptides from molecular dynamics and density functional theory. Journal of Inorganic Biochemistry 264 , 112793. 10.1016/j.jinorgbio.2024.112793

Qi, Haifeng, Jiao, Yueyue, Duan, Jianglin, Dummer, Nicholas F.

, Zhang, Bin, Ren, Yujing, Taylor, Stuart H.

, Qin, Yong, Junge, Kathrin, Jiao, Haijun, Hutchings, Graham J.

and Beller, Matthias 2025. Tandem reductive amination and deuteration over a phosphorus-modified iron center. Nature Communications 16 (1) , 1840. 10.1038/s41467-024-55722-9

Rabiu, Hamza S., Hayward, James S. and Bartley, Jonathan K.

2025. High surface area perovskite materials as functional catalyst supports for glycerol oxidation. Molecular Catalysis 572 , 114750. 10.1016/j.mcat.2024.114750

Rainbow, Joshua, Judd-Cooper, Emily P., Pope, Simon J. A., Buurma, Niklaas J.

and Estrela, Pedro 2025. Electrochemical signal amplification for pathogen nucleic acid detection utilizing a cobalt-based DNA-binding metallo-intercalator. Sensors & Diagnostics 10.1039/D4SD00322E

Rani, Sadia, Sbei, Najoua, Rahali, Seyfeddine, Aslam, Samina, Hardwick, Tomas and Ahmed, Nisar

2025. Electrochemical synthesis: A green & powerful approach to modern organic synthesis and future directions. Chinese Chemical Letters , 111216. 10.1016/j.cclet.2025.111216
Item availability restricted.

Richardson, Scott, Babaahmadi, Rasool, Edwards, Lee E.

, Ali, Rojan, Melen, Rebecca L.

, Roy, Debdulal and Wirth, Thomas

2025. Raman study of intermediates formed during the electrochemical N-nitrosation of secondary amines. Chemistry ‐ Methods 5 (3) , e202400067. 10.1002/cmtd.202400067

Rogers, Hannah, Woodman, Timothy J., Willock, David

and Freakley, Simon 2025. Hydrogen radical detection in mild catalytic reactions: Background C‐H activation in solvents. ChemCatChem 10.1002/cctc.202401969

Shaddick, Gavin

, Topping, David, Hales, Tristram C.

, Petri, Ioan

, Li, Peiyuan, Sharma, Ashish, Venkatkrishnan, Venkat, Wadhwa, Abhinav, Ding, Jennifer, Bowyer, Ruth and Rana, Omer

2025. Data science and AI for sustainable futures: Opportunities and challenges. Sustainability 17 (5) , 2019. 10.3390/su17052019

Shah, Parag M., Bailey, Liam A., Jiang, Zhongyu, Morgan, David J.

2025. The effect of washing on improving activity of co-precipitated ceria manganese oxide catalysts for volatile organic compound total oxidation. Molecular Catalysis 573 , 114796. 10.1016/j.mcat.2024.114796

Sinha, Vivekananda, Vincent, T. and Pera Titus, Marc 2025. Modeling dispersed phase holdup and conditions of flooding in a pulsed disc and doughnut solvent extraction column. Chemical Engineering Journal 505 , 159440. 10.1016/j.cej.2025.159440
Item availability restricted.

Tabut, Mary, Stishenko, Pavel V. and Calatayud, Monica 2025. Modeling the self-assembly of L-cysteine molecules on the Au(111) surface: A lattice model approach. Surface Science 757 , 122740. 10.1016/j.susc.2025.122740

Tisnerat, Camille, Di Ciano, Samuele, Pertusati, Fabrizio

and Serpi, Michaela

2025. Microwave-accelerated synthesis of novel triphosphate nucleoside prodrugs: Expanding the therapeutic arsenal of anticancer agents. Organic Letters 27 (1) , pp. 322-327. 10.1021/acs.orglett.4c04379

Ungerer, Marietjie J.

2025. Thermodynamics of hydrogen adsorption on ruthenium fcc surfaces: a density functional theory study. Physical Chemistry Chemical Physics 27 (11) , pp. 5759-5772. 10.1039/d4cp04165h

Wakchaure, Vivek Chandrakant, Dosso, Jacopo

, Crosta, Martina, Kählig, Hanspeter, Ward, Benjamin D.

and Bonifazi, Davide 2025. Expression of hyperconjugative stereoelectronic interactions in borazines. Chemical Communications 61 (6) , pp. 1200-1203. 10.1039/D4CC05188B

Wan, Jieying, Yang, Ji, Yang, Na, Sun, Yifei, Hu, Chuansheng, Zhao, Yang, Xu, Xiaoyan, Qi, Haifeng, Li, Xiaodong and Zhang, Hao 2025. Axial chlorine-induced symmetry-breaking iron single-atom catalyst for electrochemical ammonia synthesis. ACS Catalysis , pp. 4507-4518. 10.1021/acscatal.4c06501
Item availability restricted.

Watson, Nathan A. I., Newland, Mike J., Nelson, Beth S., Rickard, Andrew R. and Beames, Joseph M.

2025. Tropospheric alkene ozonolysis chemistry: an extended computational chemistry assessment of structural effects. Environmental Science: Advances 4 (4) , pp. 619-647. 10.1039/d4va00298a

Weilhard, Andreas, Popov, Ilya, Kohlrausch, Emerson C., Aliev, Gazi N., Blankenship, L. Scott, Norman, Luke T., Ghaderzadegh, Sadegh, Smith, Louise R., Isaacs, Mark Andrew, O'Shea, James, Lanterna, Anabel, Theis, Wolfgang, Morgan, David

, Besley, Elena, Khlobystov, Andrei and Alves Fernandes, Jesum 2025. A descriptor guiding the selection of catalyst supports for ammonia synthesis. Chemical Science 16 (11) , p. 4851. 10.1039/D4SC08253B

White, Leah E. M., Gianga, Tiberiu-M., Pradaux-Caggiano, Fabienne, Faverio, Chiara, Taddeucci, Andrea, Rzepa, Henry S., Jonhannesen, Christian, Hatcher, Lauren E.

, Siligardi, Giuliano, Carbery, David R. and Panto?, G. Dan 2025. Enantiopure synthesis of [5]helicene based molecular lemniscates and their use in chiroptical materials. Nature Communications 16 (1) , 2837. 10.1038/s41467-025-58162-1

Wilding, M. C., Demmel, F. and Wilson, M. 2025. Diffusion in molten sodium carbonate. The Journal of Physical Chemistry A 129 (7) , pp. 1890-1895. 10.1021/acs.jpca.4c04649

Williams, Jake O., Kitching, Ella, Patel, Rhea-Shree, Mauss, Jonathan M., Kley, Klara S., Khobragade, Rohini, de Bellis, Jacopo, Morgan, David J.

, Slater, Thomas

, Schueth, Ferdi, Taylor, Stuart H.

, Bender, Michael and Hutchings, Graham J.

2025. The influence of reaction conditions on selective acetylene hydrogenation over sol immobilisation prepared AgPd/Al2O3 catalysts. ChemCatChem 17 (18) , e202401794. 10.1002/cctc.202401794

Xiao, Shanshan, Zhao, Mingjun, Li, Mingquan, Wan, Shanhong, Genc, Aziz, Huang, Lulu, Chen, Lei, Zhang, Yu, Ibáñez, Maria, Lim, Khak Ho, Hong, Min, Liu, Yu and Cabot, Andreu 2025. Band and defect engineering in solution-processed nanocrystal building blocks to promote transport properties in nanomaterials: The case of thermoelectric Cu 3SbSe 4. Nano Research 18 (1) , 94907072. 10.26599/NR.2025.94907072

Xie, Jijia, Fu, Cong, Quesne, Matthew G., Guo, Jian, Wang, Chao, Xiong, Lunqiao, Windle, Christopher D., Gadipelli, Srinivas, Guo, Zheng Xiao, Huang, Weixin, Catlow, C. Richard A.

and Tang, Junwang 2025. Methane oxidation to ethanol by a molecular junction photocatalyst. Nature 639 , pp. 368-374. 10.1038/s41586-025-08630-x

Xu, Hao, Lin, Dong, Shi, Jie, Lv, Zhengxing, Zhao, Xinshuo, Ning, Linge, Xiao, Jiao, Cui, Lin, Zhang, Jian, Yuan, Juncong, Feng, Xiang, Qin, Yong and Zhang, Jiankang 2025. Constructing SiO2-supported atomically dispersed platinum catalysts with single-atom and atomic cluster dual sites to tame hydrogenation performance. JACS Au 5 (1) , pp. 250-260. 10.1021/jacsau.4c00924

Xu, Zhiqiang, Wang, Yujia, Qian, Yichi, Zhang, Jiafeng, Tu, Yanan, Gu, Suqian and Sun, Meijie 2025. Distribution and leaching characteristics of metal elements in coal gasification fine Slag: Insights into inorganic and organic acid systems. Separation and Purification Technology 361 (Part 2) , 131517. 10.1016/j.seppur.2025.131517

Zhang, Liwei, Lewis, Richard J., Brehm, Joseph, Liu, Wencong, Morgan, David J.

, Davies, Thomas E., Wang, Yong and Hutchings, Graham J.

2025. Chemo-enzymatic phenol polymerisation via in-situ H2O2 synthesis. Catalysis Today 454 , 115292. 10.1016/j.cattod.2025.115292

Zhang, Yu, Xing, Congcong, Wang, Dongyang, Genc, Aziz, Lee, Seng Huat, Chang, Cheng, Li, Zhi, Zheng, Luyao, Lim, Khak Ho, Zhu, Hangtian, Smriti, Rabeya Bosry, Liu, Yu, Cheng, Shaobo, Hong, Min, Fan, Xiaolei, Mao, Zhiqiang, Zhao, Li-Dong, Cabot, Andreu, Zhu, Tiejun and Poudel, Bed 2025. Realizing high power factor and thermoelectric performance in band engineered AgSbTe2. Nature Communications 16 (1) , 22. 10.1038/s41467-024-55280-0

Zhang, Yunyu, Butler, Keith T., Higham, Michael D. and Catlow, C. Richard A.

2025. REMatch plus SOS: Machine-learning-accelerated structure prediction for supported metal nanoclusters. Physical Review Materials 9 (3) , 033801. 10.1103/physrevmaterials.9.033801

2024

Abdel-Wahab, Bakr F., Kariuki, Benson M.

and El-Hiti, Gamal A. 2024. Synthesis, isomorphism, and polymorphism of new (2E,4E)-1-(5-methyl-1-aryl-1H-1,2,3-triazol-4-yl)-5-phenylpenta-2,4-dien-1-ones. Journal of Molecular Structure 1304 , 137748. 10.1016/j.molstruc.2024.137748

Abdel-Wahab, Bakr F., Kariuki, Benson M.

, Mohamed, Hanan A. and El-Hiti, Gamal A. 2024. Synthesis and characterization of new heterocycles containing the 1,2,3-triazole ring system. Journal of Molecular Structure 1311 , 138404. 10.1016/j.molstruc.2024.138404

Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M.

and El-Hiti, Gamal A. 2024. 1-(2,4-Dinitrophenyl)-2-((Z)-2-((E)-4-fluorobenzylidene)-3,4-dihydronaphthalen-1(2H)-ylidene)hydrazine. Molbank 2024 (1) , M1789. 10.3390/M1789

Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M.

and El-Hiti, Gamal A. 2024. (E)-1-(1-(Benzofuran-2-yl)ethylidene)-2-(2,4,6-trichlorophenyl)hydrazine. Molbank 2024 (1) , M1790. 10.3390/M1790

Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M.

and El-Hiti, Gamal A.

2024. ( E )-1-(4-Methoxyphenyl)-5-methyl-4-(1-phenyl-4-((2-(2,4,6-trichlorophenyl)hydrazineylidene)methyl)-1 H -pyrazol-3-yl)-1 H -1,2,3-triazole. Molbank 2024 (2) , M1798. 10.3390/m1798

Abdul Nasir, Jamal, Beale, Andrew M. and Catlow, C. Richard A.

2024. Understanding deNO x mechanisms in transition metal exchanged zeolites. Chemical Society Reviews 53 (23) , pp. 11657-11691. 10.1039/d3cs00468f

Abdul Nasir, Jamal, Guan, Jingcheng, Keal, Thomas W., Lu, You, Sokol, Alexey A. and Catlow, C. Richard A.

2024. The Rôle of Iron in Zeolite Beta for deNOx Catalysis. Journal of Catalysis 438 , 115696. 10.1016/j.jcat.2024.115696

Abraham, Vibin, Atalar, Kemal, Berard, Kenneth O., Booth, George H., Burton, Hugh G. A., Chan, Garnet K.-L., Evangelista, Francesco A., Filip, Maria-Andreea, Giner, Emmanuel, Gunasekera, Alexander, Knowles, Peter J.

, Lepetit, Marie-Bernadette, Liao, Ke, Loos, Pierre-François, Magnusson, Erika, Mayhall, Nicholas J., Mejuto-Zaera, Carlos, Neese, Frank, Neufeld, Verena A., Ntola, Pinkie, Plasser, Felix, Ravindran, Visagan, Schilling, Christian, Scuseria, Gustavo, Shee, James, Shi, Benjamin X., Tew, David P., Thom, Alex J. W., Wang, Zikuan and Zgid, Dominika 2024. Novel perturbative and variational methods for stronger correlations: general discussion. Faraday Discussions 254 , pp. 191-215. 10.1039/D4FD90041C

Al Jomeh, Ghadah Abdullah S., McGown, Andrew, Richards, Emma

, Tizzard, Graham J., Coles, Simon J., González-Méndez, Ramón, Dadswell, Chris, Spencer, John and Kostakis, George E. 2024. Mechanochemical Cu(ii) complexes and propargylamine synthetic adventures †. RSC Sustainability 2 (2) , pp. 528-535. 10.1039/d3su00315a

Al Zoubi, Wail, Al Mahmud, Abdullah, Hazmatulhaq, Farah, Thalji, Mohammad R., Leoni, Stefano

, Kang, Jee‐Hyun and Ko, Young Gun 2024. Origin of the synergistic effects of bimetallic nanoparticles coupled with a metal oxide heterostructure for accelerating catalytic performance. SusMat 4 (3) , e216. 10.1002/sus2.216

Al-Luaibi, Reem 2024. Development of novel radiolabels for long-term in vitro stem cell tracking. PhD Thesis, Cardiff University.
Item availability restricted.

Al-Taie, Zahraa S., Coles, Simon J., Congreve, Aileen, Ford, Dylan, Green, Lucy, Horton, Peter N., Jones, Leigh F., Kett, Pippa, Kraehenbuehl, Rolf, Murphy, Patrick J., Tizzard, Graham J., Willmore, Niles B. and Wright, Oliver T. 2024. C2-Symmetric amino acid amide-derived organocatalysts. Reactions 5 (3) , pp. 567-586. 10.3390/reactions5030027

Alaboosh, Jamal M. H., Hill, Steven P., Kariuki, Benson M.

and Redman, James E.

2024. Crystal structures of sulfonamide protected bicyclic guanidines: (S)-8-{[(tert-butyldimethylsilyl)oxy]methyl}-1-[(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl]-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium trifluoromethanesulfonate and (S)-8-(iodomethyl)-1-tosyl-1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidin-1-ium iodide. Acta Crystallographica Section E: Crystallographic Communications 80 (3) , pp. 305-309. 10.1107/S2056989024001129

Alahmari, Halimah 2024. Synthesis of diverse recyclable polyesters by ring opening copolymerization using group 4 complexes. PhD Thesis, Cardiff University.
Item availability restricted.

Alavi, Ali, Allen, Marcus, Atalar, Kemal, Berkelbach, Timothy C., Booth, George H., Burton, Hugh G. A., Chan, Garnet Kin-Lic, Craciunescu, Luca, Danilov, Don, Dobrautz, Werner, Evangelista, Francesco A., Filip, Maria-Andreea, Giner, Emmanuel, Greene-Diniz, Gabriel, Grüneis, Andreas, Guo, Yang, Harsha, Gaurav, Ibrahim, Basil, Kapil, Venkat, Kats, Daniel, Knowles, Peter J.

, Lepetit, Marie-Bernadette, Liao, Ke, Li Manni, Giovanni, Loos, Pierre-François, Magnusson, Erika, Marie, Antoine, Mejuto-Zaera, Carlos, Neese, Frank, Nejad, Arman, Neufeld, Verena A., Pernal, Katarzyna, Plasser, Felix, Prentice, Andrew W., Ravindran, Visagan, Rehman, Umatur, Reiher, Markus, Schilling, Christian, Scuseria, Gustavo, Shee, James, Shi, Benjamin X., Szenes, Kalman, Tew, David P., Thom, Alex J. W., Wang, Zikuan, Zgid, Dominika, Zhu, Andrew and Zwijnenburg, Martijn A. 2024. Stochastic and low-scaling techniques: general discussion. Faraday Discussions 254 , pp. 451-499. 10.1039/D4FD90042A

Alavi, Ali, Atalar, Kemal, Berkelbach, Timothy C., Booth, George H., Chan, Garnet Kin-Lic, Evangelista, Francesco A., Goldzak, Tamar, Grüneis, Andreas, Harsha, Gaurav, Kapil, Venkat, Knowles, Peter

, Lepetit, Marie-Bernadette, Liebert, Julia, Nejad, Arman, Neufeld, Verena A., Novoa, Trinidad, Pernal, Katarzyna, Plasser, Felix, Rehman, Umatur, Shi, Benjamin X., Tew, David P., Wang, Zikuan, Mejuto-Zaera, Carlos, Zgid, Dominika, Zhu, Andrew, Zhu, Tianyu and Zwijnenburg, Martijn A. 2024. Correlation in extended systems: general discussion. Faraday Discussions 254 , pp. 682-707. 10.1039/D4FD90044H

Aldred, Matthew P., Li, Fuxuan, Kuang, Rong, Thomas, Owen L., Davies, Thomas E., Taylor, Stuart H.

, Miedziak, Peter J. and Graham, Andrew E. 2024. Nanoporous aluminosilicate mediated synthesis of 2- and 2,2-substituted 2,3-dihydroquinazolin-4(1H)-ones. Tetrahedron Letters 140 , 155037. 10.1016/j.tetlet.2024.155037

Aleyadah, Layla 2024. Heterogeneous catalysis using noble and non-noble metals nanoparticles supported on metal-oxide catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Ali, Basma S., Mohammed, Anber F., Kariuki, Benson M.

, El-Awady, Raafat and H. M. Abdu-Allah, Hajjaj 2024. Tetrahydrocarbazoles incorporating 5-arylidene-4-thiazolinones as potential antileukemia and antilymphoma targeting tyrosine kinase and tubulin polymerase enzymes: Design, synthesis, structural, biological and molecular docking studies. Bioorganic Chemistry 153 , 107817. 10.1016/j.bioorg.2024.107817
Item availability restricted.

Ali, Rojan, Wolfe, Campbell S. and Wirth, Thomas

2024. Non‐conventional methodologies for the synthesis of N‐Nntrosamines. Chemistry ‐ Methods 4 (4) , e202300053. 10.1002/cmtd.202300053

Alkahtani, Rawiyah 2024. Design and synthesis of novel chiral iodine(III) reagents and their enantioselective applications. PhD Thesis, Cardiff University.
Item availability restricted.

Alkhaibari, Ibrahim S., Zhang, Xue, Zhao, Jianzhang, Stonelake, Thomas M., Knighton, Richard C., Horton, Peter N., Coles, Simon J., Buurma, Niklaas J.

2024. Tuning excited state character in iridium(III) photosensitizers and its influence on TTA-UC. Inorganic Chemistry 63 (21) , pp. 9931-9940. 10.1021/acs.inorgchem.4c01003

Alotaibi, Nusaybah, Babaahmadi, Rasool, Pramanik, Milan, Das, Sampurna, Kariuki, Benson M.

2024. B(C6F5)3-catalysed alkylation of imidazo[1,2-a]pyridines using α,β-unsaturated ketones. European Journal of Organic Chemistry 27 (12) , e202400022. 10.1002/ejoc.202400022

Alsharif, Heba, Conway, Matthew B., Morgan, David J.

, Davies, Thomas, Taylor, Stuart H.

2024. Controlling the nanoparticle size and shape of a Pt/TiO 2 catalyst for enhanced hydrogenation of furfural to furfuryl alcohol †. RSC Sustainability 2 (12) , pp. 3888-3896. 10.1039/d4su00388h

Alsidran, Samah H., Court-Wallace, Christopher, Davies, Philip R.

, Garwell, Gemma, Guan, Shaoliang, Morgan, David J.

and Ososki, Genevieve 2024. The role of Cu and film thickness on the photocatalytic activity of mesoporous spin coated TiO2 films. Catalysis Today 441 , 114904. 10.1016/j.cattod.2024.114904

Alzaidi, Ohud 2024. Synthesis of organoselenium compounds via flow electrochemistry. PhD Thesis, Cardiff University.
Item availability restricted.

Alzaidi, Ohud and Wirth, Thomas

2024. Continuous flow electroselenocyclization of allylamides and Unsaturated Oximes to selenofunctionalized oxazolines and isoxazolines. ACS Organic & Inorganic Au 4 (3) , pp. 350-355. 10.1021/acsorginorgau.4c00008

Amoroso, Angelo J.

2024. Lanthanides for luminescent and magnetic resonance imaging. Feng, Lei and James, Tony D., eds. Imaging Tools for Chemical Biology, Chemical Biology, Royal Society of Chemistry, pp. 48-70. (10.1039/9781837673117-00048)

Asif, Seikh, Das, Debashree, Basu, Shalmali, Morgan, David

, Datta, Aparna and Sen, Kamalika 2024. Generating luminescent Graphene quantum Dots from Tryptophan: Fluorosensors for hydrogen peroxide in cancer cells. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 323 , 124887. 10.1016/j.saa.2024.124887
Item availability restricted.

Avella, Edwin, Folli, Andrea

and Cuesta, Angel 2024. Inhibition of photocatalyst‐assisted electron transfer at ITIES under simulated solar irradiation‐the role of supporting electrolyte. ChemElectroChem 11 (19) , e202400333. 10.1002/celc.202400333

Ayuso-Carrillo, Josue, Fina, Federica, Galleposo, El Czar, Ferreira, Rúben R., Mondal, Pradip Kumar, Ward, Benjamin D.

and Bonifazi, Davide

2024. One-step catalyst-transfer macrocyclization: expanding the chemical space of azaparacyclophanes. Journal of the American Chemical Society 146 (24) , pp. 16440-16457. 10.1021/jacs.4c02319

Bailey, Liam A., Douthwaite, Mark, Davies, Thomas E., Morgan, David J.

2024. Controlling palladium particle size and dispersion as a function of loading by chemical vapour impregnation: an investigation using propane total oxidation as a model reaction. Catalysis Science & Technology 14 (17) , pp. 5045-5053. 10.1039/d4cy00665h

Bala, Anu and Kumar, Vijay 2024. Atomic structure, stoichiometry, and electronic properties of CsPbI3 quantum dots using Ab initio calculations. Journal of Physical Chemistry C 128 (35) , pp. 14569-14577. 10.1021/acs.jpcc.4c02142
Item availability restricted.

Bargiela, Pascal, Fernandez, Vincent, Morgan, David

, Fairley, Neal and Baltrusaitis, Jonas 2024. Surface science insight note: A linear algebraic approach to elucidate native films on Fe3O4 surface. Surface and Interface Analysis 56 (4) , pp. 189-199. 10.1002/sia.7290

Bargiela, Pascal, Fernandez, Vincent, Morgan, David

, Richard-Plouet, Mireille, Fairley, Neal and Baltrusaitis, Jonas 2024. Surface chemistry of ion beam modified native titania/Ti interfaces examined using X-ray photoelectron spectroscopy. Results in Surfaces and Interfaces 15 , 100231. 10.1016/j.rsurfi.2024.100231

Bargiela, Pascal, Fernandez, Vincent, Ravisy, William, Morgan, David

, Richard‐Plouet, Mireille, Fairley, Neal and Baltrusaitis, Jonas 2024. Surface analysis insight note: Observations relating to photoemission peak shapes, oxidation state, and chemistry of titanium oxide films. Surface and Interface Analysis 56 (4) , pp. 181-188. 10.1002/sia.7283

Bari, Md Abdul, Elsherbeni, Salma A., Maqbool, Tahir, Latham, Daniel E., Gushlow, Edward B., Harper, Emily J. and Morrill, Louis C.

2024. Iron-catalyzed transfer hydrogenation of allylic alcohols with isopropanol. The Journal of Organic Chemistry 89 (19) , pp. 14571-14576. 10.1021/acs.joc.4c01701

Barnes, Alexandra 2024. Promoting supported noble metal catalysts for enhanced activity and selectivity. PhD Thesis, Cardiff University.

Item availability restricted.

Batume, Charles, Mulongo, Ivan Mugeni, Ludlow, Richard, Ssebaale, John, Randerson, Peter

, Pickett, John A.

, Mukisa, Ivan M. and Scofield, Simon

2024. Evaluating repellence properties of catnip essential oil against the mosquito species Aedes aegypti using a Y-tube olfactometer. Scientific Reports 14 , 2269. 10.1038/s41598-024-52715-y

Bauer, Stefan, Benner, Peter, Bereau, Tristan, Blum, Volker, Boley, Mario, Carbogno, Christian, Catlow, C. Richard A.

, Dehm, Gerhard, Eibl, Sebastian, Ernstorfer, Ralph, Fekete, Ádám, Foppa, Lucas, Fratzl, Peter, Freysoldt, Christoph, Gault, Baptiste, Ghiringhelli, Luca M., Giri, Sajal K., Gladyshev, Anton, Goyal, Pawan, Hattrick-Simpers, Jason, Kabalan, Lara, Karpov, Petr, Khorrami, Mohammad S., Koch, Christoph T., Kokott, Sebastian, Kosch, Thomas, Kowalec, Igor, Kremer, Kurt, Leitherer, Andreas, Li, Yue, Liebscher, Christian H., Logsdail, Andrew J.

, Lu, Zhongwei, Luong, Felix, Marek, Andreas, Merz, Florian, Mianroodi, Jaber R., Neugebauer, Jörg, Pei, Zongrui, Purcell, Thomas A. R., Raabe, Dierk, Rampp, Markus, Rossi, Mariana, Rost, Jan-Michael, Saal, James, Saalmann, Ulf, Sasidhar, Kasturi Narasimha, Saxena, Alaukik, Sbailò, Luigi, Scheidgen, Markus, Schloz, Marcel, Schmidt, Daniel F., Teshuva, Simon, Trunschke, Annette, Wei, Ye, Weikum, Gerhard, Xian, R Patrick, Yao, Yi, Yin, Junqi, Zhao, Meng and Scheffler, Matthias 2024. Roadmap on data-centric materials science. Modelling and Simulation in Materials Science and Engineering 32 (6) , 063301. 10.1088/1361-651x/ad4d0d

Becerra-Ruiz, Martin, Winterson, Bethan, Pérez, Edwin and Wirth, Thomas

2024. Hydrofluoroether synthesis through one‐pot anodic iodoalkoxylation of alkenes. Advanced Synthesis & Catalysis 10.1002/adsc.202401108

Bekheit, Mohamed S., Sabry, Eman, Mohamed, Hanan A., Ewies, Ewies F., Kariuki, Benson M.

, Fouad, Marwa A., Vullo, Daniela and Supuran, Claudiu T. 2024. Novel sulfonamide-phosphonate conjugates as carbonic anhydrase isozymes inhibitors. Drug Development Research 85 (1) , e22135. 10.1002/ddr.22135

Bellomi, Silvio, Cano-Blanco, Daniel C., Barlocco, Ilaria, Delgado, Juan J., Chen, Xiaowei, Prati, Laura, Ferri, Davide, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2024. Probing the metal/oxide interface of IrCoCeOx in N2H4·H2O decomposition: an experimental and computational study. ACS Applied Materials & Interfaces 16 (40) , 54897–54906. 10.1021/acsami.4c12306
Item availability restricted.

Bellomi, Silvio, Motta, Davide, Stucchi, Marta, Prati, Laura, Dimitratos, Nikolaos and Villa, Alberto 2024. Hydrogen production from hydrous hydrazine decomposition using Ir catalysts: Effect of the preparation method and the support. Catalysts 14 (2) , 119. 10.3390/catal14020119

Bennett, J.J., Mandal, S.

, Morgan, D.J.

, Papageorgiou, A., Williams, O.A.

and Klemencic, G.M.

2024. Inhomogeneities across boron-doped nanocrystalline diamond films. Carbon Trends 15 , 100353. 10.1016/j.cartre.2024.100353

Bezerra, Leticia S., Brasseur, Paul, Sullivan‐Allsop, Sam, Cai, Rongsheng, da Silva, Kaline N., Wang, Shiqi, Singh, Harishchandra, Yadav, Ashok K., Santos, Hugo L. S., Chundak, Mykhailo, Abdelsalam, Ibrahim, Heczko, Vilma J., Sitta, Elton, Ritala, Mikko, Huo, Wenyi, Slater, Thomas J. A.

, Haigh, Sarah J. and Camargo, Pedro H. C. 2024. Ultralow catalytic loading for optimised electrocatalytic performance of AuPt nanoparticles to produce hydrogen and ammonia. Angewandte Chemie International Edition 63 (29) , e202405459. 10.1002/anie.202405459

Bissbort, Thilo, Hess, Kai-Uwe, Wilding, Martin, Schawe, Jürgen E.K., Purgstaller, Bettina, Goetschl, Katja E., Sturm, Sebastian, Müller-Caspary, Knut, Sturm, Elena V., Schmahl, Wolfgang, Griesshaber, Erika, Weidendorfer, Daniel, Dietzel, Martin and Dingwell, Donald B. 2024. The glass transition temperature of anhydrous amorphous calcium carbonate. American Mineralogist 109 (7) , 1303–1306. 10.2138/am-2023-9191

Boruah, Tribani, Ishizeki, Ren, Roldan, Alberto

and Wirth, Thomas

2024. Flow electrosynthesis of phosphinamides and phosphoramidates through P–N coupling †. Green Chemistry 26 (23) , pp. 11722-11727. 10.1039/d4gc04450a

Boucher, Alexandre 2024. Data-oriented approach for pd-nanocatalyst design. PhD Thesis, Cardiff University.
Item availability restricted.

Bowker, M.

2024. The importance of Pd carbide formation for reactions with ethene and other organic molecules. Catalysis Today 441 , 114867. 10.1016/j.cattod.2024.114867

Bowker, Michael

, House, Matthew, Brookes, Catherine, Hellier, Pip and Wells, Peter 2024. Ensemble effects on methanol oxidation to formaldehyde on ferric molybdate catalysts. ChemCatChem 16 (6) , e202301464. 10.1002/cctc.202301464

Campbell, Emma, Sazanovich, Igor V., Towrie, Michael, Watson, Michael J., Lezcano-Gonzalez, Ines and Beale, Andrew M. 2024. Methanol-to-olefins studied by UV Raman spectroscopy as compared to visible wavelength: capitalization on resonance enhancement. Journal of Physical Chemistry Letters 15 (26) , pp. 6826-6834. 10.1021/acs.jpclett.4c00865

Campisi, Sebastioano, Bellomi, Silvio, Chinchilla, Lidia E., Stucchi, Marta, Prati, Laura, Roldan, Alberto

, Ferri, Davide and Villa, Alberto 2024. Effects of alloying palladium with gold in furfural hydrogenation:An in situ ATR-IR spectroscopy and density functional theory study. Catalysis Communications 187 , 106894. 10.1016/j.catcom.2024.106894

Cao, Jingxian, Qi, Guodong, Yao, Bingqing, He, Qian, Lewis, Richard J., Li, Xu, Deng, Feng, Xu, Jun and Hutchings, Graham J.

2024. Partially bonded aluminum site on the external surface of post-treated Au/ZSM-5 enhances methane oxidation to oxygenates. ACS Catalysis 14 , pp. 1797-1807. 10.1021/acscatal.3c05030

Carter, James H., Ye, Tongqi, Hewes, Daniel G., Almoteiry, Ahlam, Aggett, Kieran J., Vandegehuchte, Bart D., Kiely, Christopher J., Taylor, Stuart H.

2024. Origin of carbon monoxide formation in the oxidative dehydrogenation of propane using carbon dioxide. ACS Catalysis 14 (15) , pp. 11881-11892. 10.1021/acscatal.4c02628

Catlow, C. Richard A.

and Pickett, John

2024. Science and innovation in Sub-Saharan Africa: an introduction. Interface Focus 14 (4) , 20240020. 10.1098/rsfs.2024.0020

Cerasale, Daniel 2024. Spiropyran photoswitching: From molecules to functional materials. PhD Thesis, Cardiff University.
Item availability restricted.

Chen, Jinghao, Dai, Gaocan, Duan, Shixiang, Huang, Yang, Wu, Yi‐Lin

, Xie, Zhiyong and Tsai, Yu‐Hsuan 2024. Selective protein degradation through tetrazine ligation of genetically incorporated unnatural amino acids. Chemistry - An Asian Journal , e202400824. 10.1002/asia.202400824

Churchill, Olivia P., Dase, Antonia, Taylor, Laurence J., Argent, Stephen P., Coles, Nathan T.

, Walker, Gavin S. and Kays, Deborah L.

2024. Synthesis of the bulky phosphanide [P(SiiPr3)2]− and its stabilization of low-coordinate group 12 complexes. Inorganic Chemistry 63 (43) , pp. 20286-20294. 10.1021/acs.inorgchem.4c03134

Coricello, Adriana, Nardone, Alanya J., Lupia, Antonio, Gratteri, Carmen, Vos, Matthijn, Chaptal, Vincent, Alcaro, Stefano, Zhu, Wen, Takagi, Yuichiro and Richards, Nigel G. J.

2024. 3D variability analysis reveals a hidden conformational change controlling ammonia transport in human asparagine synthetase. Nature Communications 15 (1) , 10538. 10.1038/s41467-024-54912-9

Craco, L. and Leoni, S.

2024. Effect of localization–delocalization transition on thermoelectric properties of Bi2Te2Se topological insulator. APL Energy 2 (1) , 016102. 10.1063/5.0173308

Craco, L. and Leoni, S.

2024. Strange metal and coherence-incoherence crossover in pressurized La3Ni2O7. Physical Review B (Condensed Matter and Materials Physics) 109 (16) , 165116. 10.1103/PhysRevB.109.165116

Cubitt, Jonathan, Davies, Mari, Riseley, Ross, Evans, Gabrielle, Gardiner, Sian E., Kariuki, Benson M.

, Ward, Simon E.

, Lloyd-Evans, Emyr

, Waller-Evans, Helen

and Jones, D. Heulyn 2024. Beware of N-Benzoyloxybenzamides. Molecules 29 (21) , 5143. 10.3390/molecules29215143

Cui, Lin, Zhao, Xinshuo, Zhang, Jiankang, Zhou, Zhan, Lin, Dong and Qin, Yong 2024. Aluminum-decorated MIL-100(Fe) nanozyme for the detection of glutathione. ACS Applied Nano Material 7 (5) , pp. 4764-4771. 10.1021/acsanm.3c05262

da Silva, Kaline N., Shetty, Shwetha, Sullivan-Allsop, Sam, Cai, Rongsheng, Wang, Shiqi, Quiroz, Jhon, Chundak, Mykhailo, dos Santos, Hugo L. S., Abdelsalam, IbrahiM, Oropeza, Freddy E., de la Peña O'Shea, Víctor A., Heikkinen, Niko, Sitta, Elton, Alves, Tiago V., Ritala, Mikko, Huo, Wenyi, Slater, Thomas J. A.

, Haigh, Sarah J. and Camargo, Pedro H. C. 2024. Au@AuPd core-alloyed shell nanoparticles for enhanced electrocatalytic activity and selectivity under visible light excitation. ACS Nano 18 (35) , pp. 24391-24403. 10.1021/acsnano.4c07076

Daniel, Isaac 2024. The Co-Operative Redox Enhancement Effect: Origin, mechanism and scope. PhD Thesis, Cardiff University.
Item availability restricted.

Davies-Jones, Josh, Davies, Philip R.

, Graf, Arthur, Hewes, Dan, Hill, Katja E.

and Pascoe, Michael

2024. Photoinduced force microscopy as a novel method for the study of microbial nanostructures. Nanoscale 16 (1) , pp. 223-236. 10.1039/D3NR03499B

Dearg, Malcolm, Lethbridge, Sean, McCormack, James, Palmer, Richard E. and Slater, Thomas J. A.

2024. Characterisation of the morphology of surface-assembled Au nanoclusters on amorphous carbon. Nanoscale 16 (22) , pp. 10827-10832. 10.1039/d4nr00978a

Decarolis, Donato, Panchal, Monik, Quesne, Matthew, Mohammed, Khaled, Xu, Shaojun, Isaacs, Mark, Clark, Adam H., Keenan, Luke L., Wakisaka, Takuo, Kusada, Kohei, Kitagawa, Hiroshi, Catlow, C. Richard A.

, Gibson, Emma K., Goguet, Alexandre and Wells, Peter P. 2024. Localized thermal levering events drive spontaneous kinetic oscillations during CO oxidation on Rh/Al 2 O 3. Nature Catalysis 7 (7) , pp. 829-837. 10.1038/s41929-024-01181-w

Deng, Xuliang, Lin, Dong, Xu, Yang, Feng, Xiang, Chen, De, Yang, Chaohe and Shan, Honghong 2024. Zeolite structure descriptor for guiding the synthesis of efficient titanosilicalites through matching Ti sites and framework topologies for 1-Hexene epoxidation. Chemical Engineering Journal 487 , 150338. 10.1016/j.cej.2024.150338

Deng, Xuliang, Xu, Yang, Liu, Jincheng, Lin, Dong, Zong, Ze, Yuan, Juncong, Li, Zhiyang, Zhao, Guanghui, Zhang, Yongjun, Liu, Yibin, Chen, Xiaobo, Feng, Xiang, Chen, De, Yang, Chaohe and Shan, Honghong 2024. Regulating the coordination mode of Ti atoms in the beta zeolite framework to enhance the 1-Hexene Epoxidation. Industrial & Engineering Chemistry Research 63 (9) , pp. 3817-3826. 10.1021/acs.iecr.3c03543

Ding, Changyu, Pan, Xiaoli, Gow, Isla E., Wu, Xia, Cao, Hongchen, Yu, Zhounan, Liu, Xiaoyan, Yang, Xiaofeng, Liu, Qinggang and Huang, Yanqiang 2024. Regeneration of copper catalysts mediated by molybdenum-based oxides. Journal of Energy Chemistry 95 , pp. 618-625. 10.1016/j.jechem.2024.04.007

Dong, Mochen 2024. The mechanism, structural and functional specificity of sulfoglycosidases from glycoside hydrolase 20 family. PhD Thesis, Cardiff University.
Item availability restricted.

Dong, Mochen, Chen, Zhuoyun, He, Yuan, Zallot, Rémi and Jin, Yi

2024. Bioinformatics-facilitated identification of novel bacterial sulfoglycosidases that hydrolyze 6-Sulfo-N-acetylglucosamine. ACS Bio & Med Chem Au 4 (6) , pp. 342-352. 10.1021/acsbiomedchemau.4c00088

Dubey, Prashant, Shrivastav, Vishal, Boruah, Tribani, Zoppellaro, Giorgio, Zbořil, Radek, Bakandritsos, Aristides and Sundriyal, Shashank 2024. Unveiling the potential of covalent organic frameworks for energy storage: Developments, challenges, and future prospects. Advanced Energy Materials 14 (24) , 2400521. 10.1002/aenm.202400521

Ducker, Charles, Baines, Cameron, Guy, Jennifer, Euzébio Goulart Santana, Antônio, Pickett, John A.

and Oldham, Neil J. 2024. A diterpene synthase from the sandfly Lutzomyia longipalpis produces the pheromone sobralene. Proceedings of the National Academy of Sciences 121 (12) , e2322453121. 10.1073/pnas.2322453121

Edwards, Lee

, Didsbury, Matthew, Jones, Christopher D. and Wirth, Thomas

2024. Deville rebooted – practical N 2 O 5 synthesis †. Chemical Communications 60 (46) , pp. 5920-5923. 10.1039/d4cc01403k

El Moutaouakil Ala Allah, Abderrazzak, Kariuki, Benson M.

, Alsubari, Abdulsalam, Al-Sulami, Ahlam I., Allehyani, Basmah H., Alsulami, Wafa O., Mague, Joel T. and Ramli, Youssef 2024. Synthesis, crystal structure and Hirshfeld surface of ethyl 2-[2-(methylsulfanyl)-5-oxo-4,4-diphenyl-4,5-dihydro-1H-imidazol-1-yl]acetate (thiophenytoin derivative). Acta Crystallographica Section E: Crystallographic Communications 80 (9) , pp. 926-930. 10.1107/S2056989024007345

El Moutaouakil Ala Allah, Abderrazzak, Kariuki, Benson M.

, Ameziane El Hassani, Issam, Alsubari, Abdulsalam, Guerrab, Walid, Said, Musa A. and Ramli, Youssef 2024. 2-Chloro-N-(4-hydroxyphenyl)acetamide. IUCrData 9 (10) , x241015. 10.1107/S2414314624010150

Elliott, Mark C.

2024. スキルアップ有機化学しっかり身につく基礎の基礎 [Skill up organic chemistry: Mastering the basics]. 東京化学同人.

Elsherbeni, Salma 2024. The development of new synthetic strategies using lewis acidic boron and iron catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Elsherbeni, Salma A., Melen, Rebecca L.

, Pulis, Alexander P. and Morrill, Louis C.

2024. Accessing highly substituted indoles via B(C6F5)3-catalyzed secondary Alkyl Group Transfer. The Journal of Organic Chemistry 89 (6) , pp. 4244-4248. 10.1021/acs.joc.4c00025

Erfan, Abeer, Yousif, Emad, Alshanon, Ahmed, Ahmed, Dina S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2024. Cytotoxic and apoptotic effects of Tin(IV) complexes containing a Schiff base derived from cephalexin on a breast cancer cell line. Indian Journal of Clinical Biochemistry 10.1007/s12291-024-01207-x

Falcioni, Fabio, Molt, Robert W., Jin, Yi, Waltho, Jonathan P., Hay, Sam, Richards, Nigel G. J.

and Blackburn, G. Michael 2024. Arginine kinase activates Arginine for phosphorylation by pyramidalization and polarization. ACS Catalysis 14 (9) , 6650–6658. 10.1021/acscatal.4c00380

Fernandez, Vincent, Fairley, Neal, Morgan, David

, Bargiela, Pascal and Baltrusaitis, Jonas 2024. Surface science insight note: Imaging X‐ray photoelectron spectroscopy. Surface and Interface Analysis 56 (10) , pp. 669-680. 10.1002/sia.7337

Ferreira, Gabriela F., Ríos Pinto, Luisa F., Filho, Rubens Maciel, Fregolente, Leonardo V., Hayward, James S. and Bartley, Jonathan K.

2024. A comparison of monoglyceride production from microalgaelipids and rapeseed oil catalyzed by metal oxides. Chemistry-Sustainability-Energy-Materials 17 (23) , e202400953. 10.1002/cssc.202400953

Ferreira, Rúben R., Mosca, Dario, Moreira, Tiago, Wakchaure, Vivek Chandrakant, Romano, Gianvito, Stopin, Antoine, Pinheiro, Carlos, Luci, Alexander M. T., Perdigão, Luís M. A., Costantini, Giovanni, Amenitsch, Heinz, Laia, Cesar A. T., Parola, A. Jorge, Maggini, Laura and Bonifazi, Davide

2024. Long-range supramolecular assembly of a pyrene-derivatized polythiophene/MWCNT hybrid for resilient flexible electrochromic displays. ACS Applied Engineering Materials 2 (11) , pp. 2640-2650. 10.1021/acsaenm.4c00534

Fioco, David

, Platts, James

, Chiesa, Mario and Murphy, Damien M.

2024. A continuous-wave EPR investigation into the photochemical transformations of the chromium(I) carbonyl complex [Cr(CO)4bis(diphenylphosphino)]+ and reactivity with 1-hexene. Molecules 29 (2) , 392. 10.3390/molecules29020392

Flack, T., Jobbins, S. A., Boulfelfel, S. E. and Leoni, S.

2024. Many-Particle Na-Ion Dynamics in NaMPO4 Olivine Phosphates (M = Mn, Fe). Hanaor, D. A. H., ed. Computational Design of Battery Materials, Vol. 150. Springer, Cham, pp. 137-167. (10.1007/978-3-031-47303-6_5)

Ford, Joseph, Ortalli, Sebastiano, Chen, Zijun, Sap, Jeroen, Tredwell, Matthew

and Gouverneur, Veronique 2024. Expedient access to 18F-fluoroheteroarenes via deaminative radiofluorination of aniline-derived pyridinium salts. Angewandte Chemie 63 (26) , e202404945. 10.1002/anie.202404945

Frith, Abigail, Clarke, Aimee K., Heyam, Alex, Lynam, Jason M., Newman, Paul D.

, Unsworth, William P. and Willans, Charlotte E. 2024. Silver–N-heterocyclic carbenes in π–Activation: Synergistic effects between the ligand ring size and the anion. Organometallics 43 (5) , pp. 598-604. 10.1021/acs.organomet.3c00476

Galdeano-Ruano, Carmen, Gutiérrez-Tarriño, Silvia, Lopes, Christian W., Mazarío, Jaime, Chinchilla, Lidia E., Agostini, Giovanni, Calvino, Jose J., Holgado, Juan P., Rodríguez-Castellón, Enrique, Roldan, Alberto

and Oña-Burgos, Pascual 2024. Developing and understanding Leaching-Resistant cobalt nanoparticles via N/P incorporation for liquid phase hydroformylation. Journal of Catalysis 431 , 115374. 10.1016/j.jcat.2024.115374

Galdeano-Ruano, Carmen, Márquez, Inmaculada, Lopes, Christian Wittee, Calvente, Juan José, Agostini, Giovanni, Roldan, Alberto

, Olloqui-Sariego, José Luis and Oña-Burgos, Pascual 2024. Ultra-low metal loading rhodium phosphide electrode for efficient alkaline hydrogen evolution reaction. International Journal of Hydrogen Energy 51 (Part A) , pp. 1200-1216. 10.1016/j.ijhydene.2023.07.206

Gangopadhyay, Kaushik, Sanyal, Rajat, Chatterjee, Sharmistha, Singh, Pritam, Shaha, Chandrima, Naskar, Nabanita, Morgan, David

and Sen, Kamalika 2024. Finding historical linkages between India and Myanmar through archaeological and physicochemical analysis of ceramics c. 1st century BCE to 13th century CE. Journal of Archaeological Science: Reports 60 , 104828. 10.1016/j.jasrep.2024.104828
Item availability restricted.

Gao, Li, Delle Piane, Massimo, Corno, Marta, Jiang, Fan, Raja, Robert and Pera Titus, Marc 2024. Synthesis of amine derivatives from furoin and furil over Ru/Al2O3 catalyst. Catalysis Science & Technology 14 (9) , pp. 2593-2599. 10.1039/D3CY01605F

González Requena, Víctor, Srivastava, Prabhakar L.

, Miller, David J. and Allemann, Rudolf K.

2024. Single point mutation abolishes water capture in germacradien‐4‐ol synthase. ChemBioChem 25 (23) , e202400290. 10.1002/cbic.202400290

Guerzoni, Michael 2024. Development of novel synthetic methodologies using boron Lewis acids. PhD Thesis, Cardiff University.

Item availability restricted.

Guerzoni, Michael G., van Ingen, Yara, Babaahmadi, Rasool, Wirth, Thomas

2024. An un-forgotten classic: the nitro-Mannich reaction between nitrones and silyl nitronates catalysed by B(C6F5)3 †. Chemical Science 15 (7) 10.1039/d3sc05672d

Hadadi, Amnah 2024. Polymer structure in solution for drug delivery from simulation and experiment. PhD Thesis, Cardiff University.

Item availability restricted.

Hardy, Florence J., Quesne, Matthew G., Gérard, Emilie F., Zhao, Jingming, Ortmayer, Mary, Taylor, Christopher J., Ali, Hafiz S., Slater, Jeffrey W., Levy, Colin W., Heyes, Derren J., Bollinger, J. Martin, de Visser, Sam P. and Green, Anthony P. 2024. Probing ferryl reactivity in a nonheme iron oxygenase using an expanded genetic code. ACS Catalysis 14 (15) , 11584–11590. 10.1021/acscatal.4c02365

Harvey, Deborah J., Vuts, József, Hooper, Antony, Caulfield, John C., Finch, Paul, Woodcock, Christine M., Gange, Alan C., Chapman, Jason W., Birkett, Michael A. and Pickett, John A.

2024. Novel pheromone-mediated reproductive behaviour in the stag beetle, Lucanus cervus. Scientific Reports 14 , 6037. 10.1038/s41598-024-55985-8

Hatcher, Lauren E.

and Raithby, Paul R. 2024. Dynamic crystal structure of a molecular framework. Nature Chemistry 16 , pp. 674-675. 10.1038/s41557-024-01514-z

Hatcher, Lauren E.

, Warren, Mark R. and Raithby, Paul. R. 2024. Methods in molecular photocrystallography. Acta Crystallographica Section C: Structural Chemistry 80 (10) , C80. 10.1107/s2053229624007460

Hawkins, Alexander P., Edmeades, Amy E.

, Hutchison, Christopher D. M., Towrie, Michael, Howe, Russell F., Greetham, Gregory M. and Donaldson, Paul M. 2024. Laser induced temperature-jump time resolved IR spectroscopy of zeolites. Chemical Science 15 (10) , pp. 3453-3465. 10.1039/D3SC06128K

He, Qiuming, Lin, Dong, Yin, Defu, Yang, Chaohe, Chen, De and Feng, Xiang 2024. Propene epoxidation with molecular oxygen: Advancements from nanoparticle to single‐atom catalysts. Smart Molecules 2 (4) , e20240025. 10.1002/smo.20240025

Heard, Matthew 2024. New applications of Lewis acids inorganic synthesis. PhD Thesis, Cardiff University.
Item availability restricted.

Heßelmann, Andreas, Giner, Emmanuel, Reinhardt, Peter, Knowles, Peter J.

, Werner, Hans‐Joachim and Toulouse, Julien 2024. A density‐fitting implementation of the density‐based basis‐set correction method. Journal of Computational Chemistry 45 (15) , pp. 1247-1253. 10.1002/jcc.27325

Hoffman, Alexander E. J., Temmerman, Wim, Campbell, Emma, Damin, Alessandro Ali, Lezcano-Gonzalez, Ines, Beale, Andrew M., Bordiga, Silvia, Hofkens, Johan and Van Speybroeck, Veronique 2024. A critical assessment on calculating vibrational spectra in nanostructured materials. Journal of Chemical Theory and Computation 20 (2) , pp. 513-531. 10.1021/acs.jctc.3c00942

Hoh, Soon W., Jones, Glenn and Willock, David J.

2024. A computational study of the structure of anion vacancy defects in the bulk and on the surfaces of ceria. Catalysis Today 442 , 114946. 10.1016/j.cattod.2024.114946

Huang, Junhao, Klahn, Marcus, Tian, Xinxin, Bartling, Stephan, Zimina, Anna, Radtke, Martin, Rockstroh, Nils, Naliwajko, Pawel, Steinfeldt, Norbert, Peppel, Tim, Grunwaldt, Jan‐Dierk, Logsdail, Andrew J.

, Jiao, Haijun and Strunk, Jennifer 2024. Fundamental structural and electronic understanding of palladium catalysts on nitride and oxide supports. Angewandte Chemie International Edition 10.1002/anie.202400174

Huang, Junhao, Klahn, Marcus, Tian, Xinxin, Dai, Xingchao, Rabeah, Jabor, Aladin, Victoria, Corzilius, Björn, Bartling, Stephan, Lund, Henrik, Steinfeldt, Norbert, Peppel, Tim, Logsdail, Andrew J.

, Jiao, Haijun and Strunk, Jennifer 2024. Exfoliated polymeric carbon nitride nanosheets for photocatalytic applications. ACS Applied Nano Material 7 (7) , 7442–7452. 10.1021/acsanm.4c00133

Huang, Qi, Zhan, Zhen, Qiao, Yuanting, Pan, Xueting, Xu, Shaojun, Tan, Bien and Wu, Chunfei 2024. Azobenzene-equipped Covalent triazine polymers for Visible-Light-Driven photocatalytic reduction of CO2 to CH4. Fuel 361 , 130646. 10.1016/j.fuel.2023.130646

Hutchings, Graham

2024. Guest column: time, money, and great ideas. Niemantverdriet, Hans and Felderhof, Jan Karel, eds. Towards Scientific Leadership: Personal Development Advice for Young Academics, De Gruyter,

Hutchings, Graham J.

2024. Catalysis using gold containing materials. Journal of Catalysis 432 , 115392. 10.1016/j.jcat.2024.115392

Hutchings, Graham J.

, Catlow, C. Richard

, Davidson, Matthew, Rosseinsky, Matthew J. and Williams, Charotte 2024. Preface to ‘Green carbon for the chemical industry of the future’. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 382 (2282) , 20230274. 10.1098/rsta.2023.0274

Hutchings, Graham John

, Smith, Louise R. and Sun, Zhao 2024. A smart design of non-noble catalysts for sustainable propane dehydrogenation. Angewandte Chemie International Edition 63 (51) , e202416080. 10.1002/anie.202416080
Item availability restricted.

Ibraheem, Hanan A., El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S., Hashim, Hassan and Kariuki, Benson M.

2024. Investigation of the impact of chemical modifications on the photostability of polymethyl methacrylate. International Journal of Polymer Science 2024 , 3354280. 10.1155/2024/3354280

Ibraheem, Hanan A., El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S. and Kariuki, Benson M.

2024. Modified polymethyl methacrylate as a sustainable medium for capturing carbon dioxide. Materials Letters 372 , 137031. 10.1016/j.matlet.2024.137031
Item availability restricted.

Islam, Mazharul M., Catlow, C. Richard A.

and Roldan, Alberto

2024. Insights into catalytic oxidative reaction mechanisms of pentane on the Ru(0001) surface. Journal of Physical Chemistry C 10.1021/acs.jpcc.4c05735

Islam, Mazharul M., Catlow, C. Richard A.

and Roldan Martinez, Alberto

2024. Mechanistic pathways for the dehydrogenation of alkanes on Pt(111) and Ru(0001) surfaces. ChemCatChem 16 (11) , e202301386. 10.1002/cctc.202301386

Jeyachandran, Nivetha, Yuan, Wangchao, Li, Xiang, Muthuperiyanayagam, Akshayini, Gardoni, Stefania, Feng, Jiye, Gao, Qingsheng, Wilding, Martin, Wells, Peter, Tommaso, Devis Di and Giordano, Cristina 2024. Tuning the crystallinity of Cu-based electrocatalysts: Synthesis, structure, and activity towards the CO2 reduction reaction. Applied Materials Today 41 , 102466. 10.1016/j.apmt.2024.102466

Jima'a, Rawnaq, Shaalan, Naser, Bufaroosha, Muna, El-Hiti, Gamal A., Kariuki, Benson M.

, Ahmed, Dina S. and Yousif, Eamd 2024. Synthesis and properties of new metal complexes containing heterocyclic moieties and investigation of the role of the metal in carbon dioxide gas capture. Journal of Materials Protection 65 (4) , pp. 734-747. 10.62638/ZasMat1045

Johnson, Luke A.

, Mart, Robert J.

2024. A photoresponsive homing endonuclease for programmed DNA cleavage. ACS Synthetic Biology 13 (1) , pp. 195-205. 10.1021/acssynbio.3c00425

Joy, Muthipeedika Nibin, Sajith, Ayyiliath Meleveetil, Santra, Sougata, Bhattacherjee, Dhananjay, Beliaev, Nikolai, Zyryanov, Grigory V., Eltsov, Oleg S., Haridas, Karickal Raman and Alshammari, Mohammed B. 2024. Suzuki–Miyaura coupling of aryl fluorosulfates in water: a modified approach for the synthesis of novel coumarin derivatives under mild conditions. Journal of Taibah University for Science 18 (1) , 2347679. 10.1080/16583655.2024.2347679

Judd-Cooper, Emily 2024. Development of new DNA-binding sensitisers for biosensors. PhD Thesis, Cardiff University.
Item availability restricted.

Karunakaran, Akalya, Bowen, Chris R., Dunn, Steve, Pham, Thuy-Phuong T., Folli, Andrea

, Fletcher, Philip J., Carta, Mariolino

, McKeown, Neil B. and Marken, Frank 2024. Molecularly rigid porous polyamine host enhances barium titanate catalysed H 2 O 2 generation †. New Journal of Chemistry 48 (37) , pp. 16261-16268. 10.1039/d4nj03460k

Keirouz, Antonios, Jungwirth, Ute, Graf, Arthur and Leese, Hannah S. 2024. Synergistic interface platforms: Designing superhydrophilic conductive nanoparticle‐decorated nanofibrous membranes. Advanced Materials Interfaces 11 (16) , 2400040. 10.1002/admi.202400040

Kim, Bohyeon, Daniel, Isaac, Douthwaite, Mark, Pattisson, Samuel, Hutchings, Graham J.

and McIntosh, Steven 2024. Tafel analysis predicts cooperative redox enhancement effects in thermocatalytic alcohol dehydrogenation. ACS Catalysis 14 , pp. 8488-8493. 10.1021/acscatal.3c06103

Knighton, Richard C. and Pope, Simon J. A.

2024. Synthesis and luminescent properties of hetero-bimetallic and hetero-trimetallic Ru( ii )/Au( i ) or Ir( iii )/Au( i ) complexes. Dalton Transactions 53 , pp. 4165-4174. 10.1039/d3dt03690a

Kopp, Richard O., Kleynemeyer, Sabrina L., Groth, Lucie J., Ernst, Moritz J., Rupf, Susanne M., Weber, Manuela, Kershaw Cook, Laurence J., Coles, Nathan T.

, Neale, Samuel E. and Müller, Christian 2024. Highly selective, reversible water activation by P,N-cooperativity in pyridyl-functionalized phosphinines. Chemical Science 15 (15) , pp. 5496-5506. 10.1039/D3SC05930H

Koutentis, Panayiotis A., Abdel-Wahab, Bakr F., Mohamed, Hanan A., Zayed, Ehab M., Kariuki, Benson M.

and El-Hiti, Gamal A. 2024. Variation of the bromination site on the reaction of (E)-1-[5-methyl-1-(aryl)-1H-1,2,3-triazol-4-yl]-3-arylprop-2-en-1-ones with N-bromosuccinimide. ARKIVOC 2024 (1) , 12214. 10.24820/ark.5550190.p012.214

Lander, Alexander J., Kong, Yifu, Jin, Yi, Wu, Chuanliu and Luk, Louis Y. P.

2024. Deciphering the synthetic and refolding strategy of a cysteine-rich domain in the tumor necrosis factor receptor (TNF-R) for racemic crystallography analysis and d-peptide ligand discovery. ACS Bio & Med Chem Au 4 (1) , pp. 68-76. 10.1021/acsbiomedchemau.3c00060

Lawes, Naomi, Aggett, Kieran J., Smith, Louise R., Slater, Thomas J. A.

, Dearg, Malcolm, Morgan, David J.

2024. Zn loading effects on the selectivity of PdZn catalysts for CO2 hydrogenation to methanol. Catalysis Letters 154 (4) , pp. 1603-1610. 10.1007/s10562-023-04437-5

Lawes, Naomi, Dummer, Nicholas F.

, Fagan, Samantha, Wielgosz, Oskar, Gow, Isla E., Smith, Louise R., Slater, Thomas J.A.

, Davies, Thomas E., Aggett, Kieran J., Morgan, David J.

2024. CO2 hydrogenation to methanol on intermetallic PdGa and PdIn catalysts and the effect of Zn co-deposition. Applied Catalysis A: General 679 , 119735. 10.1016/j.apcata.2024.119735

Lethbridge, Sean, Pavloudis, Theodoros, McCormack, James, Slater, Thomas

, Kioseoglou, Joseph and Palmer, Richard E. 2024. Stabilization of 2D raft structures of Au nanoclusters with up to 60 atoms by a carbon support. Small Science 4 (8) , 2400093. 10.1002/smsc.202400093

Lewis, Richard J. and Hutchings, Graham J.

2024. Selective oxidation using In situ-generated hydrogen peroxide. Accounts of Chemical Research 57 (1) , 106–119. 10.1021/acs.accounts.3c00581

Lewis, Sam G., Coulson, Ben A.

, Warren, Anna J., Warren, Mark R. and Hatcher, Lauren E.

2024. Small-rotative fixed-target serial synchrotron crystallography (SR-FT-SSX) for molecular crystals. Communications Chemistry 7 (1) , 264. 10.1038/s42004-024-01360-7

Li, Xiaoliang, Zhao, Liang, Douthwaite, Mark, Wang, Kai, Akdim, Ouardia, Daniel, Isaac T., Oh, Rena, Liu, Lei, Wang, Zhe, Meng, Fanhui, Pattisson, Samuel, Lopez-Martin, Angeles, Yang, Jian, Huang, Xiaoyang Jerry, Lewis, Richard J. and Hutchings, Graham J.

2024. Solvent-free benzyl alcohol oxidation using spatially separated carbon-supported Au and Pd nanoparticles. ACS Catalysis 14 , 16551–16561. 10.1021/acscatal.4c05019

Li, Xin, Rui, Peng, Huang, Wenfei, Yao, Xin, Ye, Yuewen, Ye, Tongqi, Morgan, David J.

and Carter, James H. 2024. Propane dehydrogenation using platinum supported on gallium-doped silica. Catalysis Letters 154 , pp. 634-642. 10.1007/s10562-023-04328-9

Li, Zihe, Roscow, James, Khanbareh, Hamideh, Davies, Philip R.

, Han, Guifang, Qin, Jingyu, Haswell, Geoff, Wolverson, Daniel and Bowen, Chris 2024. Porous structure enhances the longitudinal piezoelectric coefficient and electromechanical coupling coefficient of lead‐free (Ba 0.85 Ca 0.15 )(Zr 0.1 Ti 0.9 )O 3. Advanced Science 11 , 2406255. 10.1002/advs.202406255

Liang, Yu, He, Jieting, An, Yurong, Zhang, Jiaxing, Park, Gyeong-Su, Zhao, Liang, Oh, Rena, Huang, Xiaoyang, Dong, Jinxiang and Liu, Lei 2024. Boosting selective hydrogenation of α,β-unsaturated aldehydes through constructing independent Pt and Fe active sites on support. Chemical Engineering Journal 484 , 149670. 10.1016/j.cej.2024.149670

Lim, Jihoo, Kim, Jaehui, Davies-Jones, Josh, Danaie, Mohsen, Choi, Eunyoung, Shim, Hongjae, Chen, Liang, Kim, Jincheol, Kim, Judy S., Davies, Philip R.

, Seidel, Jan, Green, Martin A., Stranks, Samuel D., Il Seok, Sang and Yun, Jae Sung 2024. Benign methylformamidinium byproduct induced by cation heterogeneity inhibits local formation of δ-phase perovskites. Energy & Environmental Science 17 (23) , pp. 9134-9143. 10.1039/D4EE03058C
Item availability restricted.

Lin, Dong, Lewis, Richard J., Feng, Xiang and Hutchings, Graham J.

2024. Selective Oxidation by TS-1 coupled with in-situ Synthesised H2O2. Fundamental Research 10.1016/j.fmre.2024.03.023

Lindley, Matthew, Stishenko, Pavel, Crawley, James W. M., Tinkamanyire, Fred, Smith, Matthew, Paterson, James, Peacock, Mark, Xu, Zhuoran, Hardacre, Christopher, Walton, Alex S., Logsdail, Andrew J.

and Haigh, Sarah J. 2024. Tuning the size of TiO2-supported Co nanoparticle Fischer-Tropsch catalysts using Mn additions. ACS Catalysis 14 , 10648–10657. 10.1021/acscatal.4c02721

Liu, Han-Ying, Kenar, Jakub, Neale, Samuel E., Garofalo, Marta, Hill, Michael S., McMullin, Claire L., Mahon, Mary F. and Richards, Emma

2024. Group 11 Bis(alumanyl)metallates. Organometallics 43 (23) , pp. 3074-3086. 10.1021/acs.organomet.4c00460

Liu, Han-Ying, Neale, Samuel E., Hill, Michael S., Mahon, Mary F., McMullin, Claire L. and Richards, Emma

2024. [{SiNDipp}MgNa]2: A potent molecular reducing agent. Organometallics 43 (8) , pp. 879-888. 10.1021/acs.organomet.4c00076

Liu, Ye, Yuan, Haiyang, Zhang, Bin, Zhang, Lei, Xu, Qingling, Dong, Minghua, Wang, Tianjiao, Cheng, Xiaomeng, Qi, Haifeng, Zhao, Zhijuan, Chen, Lihua, Su, Baolian, Han, Buxing and Liu, Huizhen 2024. Non-noble Ni@NbOx Catalyst for Selective Hydrodehydroxylation of 5-Hydroxymethylfurfural to 5-Methylfurfural. ACS Sustainable Chemistry and Engineering 12 (44) , pp. 16202-16211. 10.1021/acssuschemeng.4c04684
Item availability restricted.

Liu, Ye, Zhang, Bin, Xia, Jing, Douthwaite, Mark, Dong, Minghua, Yuan, Haiyang, Cheng, Xiaomeng, Luan, Sen, Wu, Yuxuan, Zhao, Zhijuan, Tai, Jing, Chen, Lihua, Su, Baolian, Han, Buxing and Liu, Huizhen 2024. Atomic NbOx overlayers on palladium nanoparticles enhance selective hydrodehydroxylation. Chemical Engineering Journal 479 , 147687. 10.1016/j.cej.2023.147687

Lou, Yao-Yin, Zheng, Qi-Zheng, Zhou, Shi-Yuan, Fang, Jia-Yi, Akdim, Ouardia, Ding, Xing-Yu, Oh, Rena, Park, Gyeong-Su, Huang, Xiaoyang and Sun, Shi-Gang 2024. Phase-dependent electrocatalytic nitrate reduction to ammonia on Janus Cu@Ni tandem catalyst. ACS Catalysis 14 , 5098–5108. 10.1021/acscatal.4c00479

Lu, Shan, Ma, Zeyu, Ding, Mingwei, Wu, Yuhao, Chen, Yuanli, Dong, Mochen and Qin, Liguo 2024. Reversible electroadhesion induced through low ion concentration migration for biomedical applications. Chemical Engineering Journal 486 , 150393. 10.1016/j.cej.2024.150393

Lu, Xiuyuan and Roldan Martinez, Alberto

2024. Ammonia cracking on single-atom catalysts: A mechanistic and microkinetic study. Applied Catalysis A: General 673 , 119589. 10.1016/j.apcata.2024.119589

Luangwanta, Tawanwit, Chachvalvutikul, Auttaphon and Kaowphong, Sulawan 2024. Enhanced visible-light photocatalytic activity of FeVO4/Bi2WO6 heterojunction via Z-scheme charge-transfer mechanism. Materials Research Bulletin 170 , 112560. 10.1016/j.materresbull.2023.112560

Luangwanta, Tawanwit, Chachvalvutikul, Auttaphon, Watwiangkham, Athis, Jungsuttiwong, Siriporn and Kaowphong, Sulawan 2024. Ethylene glycol-assisted microwave synthesis of bismuth-rich oxychlorides photocatalysts with oxygen vacancies for efficient degradation of bisphenol A and oxidation of arsenite. Journal of Environmental Chemical Engineering 12 (5) , 114100. 10.1016/j.jece.2024.114100
Item availability restricted.

Maashi, Hussain A., Husayni, Abdulrahman H., Harnedy, James and Morrill, Louis C.

2024. Electrochemical deconstructive functionalization of arylcycloalkanes via fragmentation of anodically generated aromatic radical cations. Chemical Communications 60 (80) , pp. 11190-11201. 10.1039/d4cc03279a

Maashi, Hussain A., Husayni, Abdulrahman H., M, Kharou, Reid, Michael E., Harnedy, James, Herneman, Ethan C., Pera-Titus, Marc and Morrill, Louis C.

2024. Electrochemical synthesis of C(sp 3 )‑rich heterocycles via mesolytic cleavage of anodically generated aromatic radical cations. Organic Letters 26 (42) , pp. 9051-9055. 10.1021/acs.orglett.4c03091

Maashi, Hussain A., Lewis‐Atwell, Toby, Harnedy, James, Grayson, Matthew N. and Morrill, Louis C.

2024. Electrochemical deconstructive methoxylation of arylalcohols–A synthetic and mechanistic investigation. Chemistry - A European Journal 30 (65) , e202403413. 10.1002/chem.202403413

Mann, Patrick, Fairclough, Simon M., Bourke, Struan, Burkitt Gray, Mary, Urbano, Laura, Morgan, David J.

, Dailey, Lea Ann, Thanou, Maya, Long, Nicholas J. and Green, Mark A. 2024. Interface engineering of water-dispersible near-infrared-emitting CuInZnS/ZnSe/ZnS quantum dots. Crystal Growth and Design 24 (15) , pp. 6275-6283. 10.1021/acs.cgd.4c00528

Mediavilla Madrigal, Sofia 2024. Characterisation of novel trimetallic catalyst for CO2 activation. PhD Thesis, Cardiff University.
Item availability restricted.

Medina, J. C., Warren, Eleanor, Morgan, David

, Gow, Isla E. and Edwards, Jennifer

2024. Influence of Pd, Pt and Au nanoparticles in the photocatalytic performance of N-TiO 2 support under visible light. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 382 (2282) , 20230271. 10.1098/rsta.2023.0271

Mizar, Pushpak, Arepally, Sagar and Wirth, Thomas

2024. Biphasic organic synthesis with continuous electro-flow. Current Opinion in Green and Sustainable Chemistry 46 , 100896. 10.1016/j.cogsc.2024.100896

Mohamed-Ezzat, Reham A., Kariuki, Benson M.

and Elgemeie, Galal H. 2024. Synthesis and crystal structure of N-phenyl-2-(phenylsulfanyl)acetamide. Acta Crystallographica Section E: Crystallographic Communications 80 (4) , pp. 392-395. 10.1107/S2056989024002573

Mohamed‐Ezzat, Reham A., Kariuki, Benson M.

and Azzam, Rasha A. 2024. Discovery of promising sulfadiazine derivatives with anti‐proliferative activity against tumor cell lines. Journal of Heterocyclic Chemistry 61 (12) , pp. 1980-1998. 10.1002/jhet.4893
Item availability restricted.

Morgan, David J.

2024. Core-level spectra of metallic lanthanides: Lanthanum (La). Surface Science Spectra 31 (1) , 014010. 10.1116/6.0003602

Morgan, David J.

2024. Core-level spectra of metallic lanthanides: Holmium (Ho). Surface Science Spectra 31 (2) , 024008. 10.1116/6.0003999

Morris, Joshua 2024. Investigating new photoactive ferroelectrics using dynamic X-ray diffraction techniques. PhD Thesis, Cardiff University.
Item availability restricted.

Morris, Joshua J., Bowen, Chris R., Coulson, Ben A., Eaton, Mark

, Raithby, Paul R., Saunders, Lucy K., Skelton, Jonathan M., Wang, Qingping, Warren, Mark R., Zhang, Yan and Hatcher, Lauren E.

2024. Exploring pyroelectricity, thermal and photochemical switching in a hybrid organic-inorganic crystal by in situ X-ray diffraction. Angewandte Chemie International Edition 63 (20) , e202401552. 10.1002/anie.202401552

Mugford, Karl, Smith, Louise R., Douthwaite, Mark, Dummer, Nicholas F.

2024. Investigating physicochemical properties of MgO catalysts for the gas phase conversion of glycerol. ARKIVOC 2024 (3) , 202412252. 10.24820/ark.5550190.p012.252

Newman, Paul D.

, Alrashidi, Basheer, Pope, Simon J. A.

and Kariuki, Benson M.

2024. A noble nexus: a phosphino-phen ligand for tethering precious metals †. Dalton Transactions 53 (37) 10.1039/d4dt02130d

Ngoepe, Phuti E., Chadwick, Alan V., Sithole, Happy M., Mokhele, Khotso D. K. and Catlow, C. Richard A.

2024. Materials modelling in the University of Limpopo. Interface Focus 14 (4) , 20240005. 10.1098/rsfs.2024.0005

Nguyen, Xuan Trung, Kitching, Ella, Slater, Thomas

, Pitzalis, Emanuela, Filippi, Jonathan, Oberhauser, Werner and Evangelisti, Claudio 2024. Aqueous phase reforming by platinum catalysts: Effect of particle size and carbon support. Catalysts 14 (11) , 798. 10.3390/catal14110798

Ni, Fenglou, Lewis, Richard J., López-Martín, Ángeles, Smith, Louise R., Morgan, David J.

, Davies, Thomas E., Taylor, Stuart H.

2024. The direct synthesis of H2O2 and in situ oxidation of methane: An investigation into the role of the support. Catalysis Today 442 , 114910. 10.1016/j.cattod.2024.114910

Oberhauser, Werner, Evangelisti, Claudio, Nguyen, Xuan Trung, Filippi, Jonathan, Poggini, Lorenzo, Capozzoli, Laura, Manca, Gabriele, Kitching, Ella A., Slater, Thomas J. A.

and Danaie, Mohsen 2024. Effect of Pt nanoparticle morphology on the aerobic oxidation of ethylene glycol to glycolic acid in water. Inorganic Chemistry 63 (48) , pp. 22912-22922. 10.1021/acs.inorgchem.4c03970
Item availability restricted.

Oh, Rena, Huang, Xiaoyang, Hayward, James, Zheng, Yanping, Chen, Mingshu, Park, Gyeong-Su, Hutchings, Graham

and Kim, Seong Keun 2024. Insights into CeO2 particle size dependent selectivity control for CO2 hydrogenation using Co/CeO2 catalysts. ACS Catalysis 14 (2) , 897–906. 10.1021/acscatal.3c05139

Ortalli, Sebastiano, Ford, Joseph, Szpera, Robert, Stoessel, Barbara, Trabanco, Andrés A., Tredwell, Matthew

and Gouverneur, Véronique 2024. 18F-Difluoromethyl(ene) motifs via oxidative fluorodecarboxylation with [18F]Fluoride. Organic Letters 26 (43) , pp. 9368-9372. 10.1021/acs.orglett.4c03611

Ortalli, Sebastiano, Ford, Joseph, Trabanco, Andrés A., Tredwell, Matthew

and Gouverneur, Véronique 2024. Photoredox nucleophilic (radio)fluorination of alkoxyamines. Journal of the American Chemical Society 146 (17) , pp. 11599-11604. 10.1021/jacs.4c02474

Osmari, Taynara A., Petrolini, Davi D., Lopez-Castillo, Alejandro, Henrique de Morais, Leonardo, Zanchet, Daniela, Sainna, Mala A., Willock, David

, Gallo, Jean Marcel R., dos Santos, João B.O. and Bueno, José Maria C. 2024. Size-dependent effects of Cu° nanoparticles on electronic properties and ethanol dehydrogenation catalysis via Cu+-O-Cu+ species. Materials Today Chemistry 41 , 102318. 10.1016/j.mtchem.2024.102318
Item availability restricted.

Otaru, Habiba 2024. Synthesis and characterisation of copper-based monometallic and bimetallic (ir-cu, ru-cu) complexes. PhD Thesis, Cardiff University.
Item availability restricted.

Pahar, Sanjukta, van Ingen, Yara, Babaahmadi, Rasool, Kariuki, Benson M.

2024. Diverse reactivity of amidinate-supported boron centers with the hypersilyl anion and access to a monomeric secondary boron hydride. Inorganic Chemistry 63 (18) , 8302–8311. 10.1021/acs.inorgchem.4c00612

Pallikara, Ioanna, Skelton, Jonathan M., Hatcher, Lauren E.

and Pallipurath, Anuradha R. 2024. Going beyond the ordered bulk: A perspective on the use of the Cambridge Structural Database for predictive materials Design. Crystal Growth and Design 24 (17) , pp. 6911-6930. 10.1021/acs.cgd.4c00694

Parker, Luke A., Richards, Nia, Bailey, Liam, Carter, James H., Nowicka, Ewa

, Pattisson, Samuel, Dummer, Nicholas F.

, He, Qian

, Lu, Li, Kiely, Christopher J., Golunski, Stanislaw E.

, Roldan, Alberto

2024. Investigating periodic table interpolation for the rational design of nanoalloy catalysts for green hydrogen production from ammonia decomposition. Catalysis Letters 154 , pp. 1958-1969. 10.1007/s10562-023-04446-4

Patra, Tuhin, Arepally, Sagar, Seitz, Jakob and Wirth, Thomas

2024. Electrocatalytic continuous flow chlorinations with iodine(I/III) mediators. Nature Communications 15 (1) , 6329. 10.1038/s41467-024-50643-z

Payce, Ellie N., Knighton, Richard C., Platts, James A.

, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A.

2024. Luminescent Pt(II) complexes using unsymmetrical Bis(2-pyridylimino)isoindolate analogues. Inorganic Chemistry 63 (18) , 8273–8285. 10.1021/acs.inorgchem.4c00558

Peng, Gongming, Ullah, Naseeb, Streiff, Stéphane, De Oliveira Vigier, Karine, Pera‐Titus, Marc, Wischert, Raphael and Jérôme, François 2024. Metal‐free selective synthesis of α,β‐unsaturated aldehydes from alkenes and formaldehyde catalyzed by dimethylamine. Chemistry - A European Journal 30 (29) , e202400601. 10.1002/chem.202400601

Pertusati, Fabrizio

, Serpi, Michaela

, Morozzi, Chiara, James, Edward, Renno, Giacomo, Cardano, Francesca and Fin, Andrea 2024. Fingolimod phosphoramidate prodrugs: Synthesis, photophysical characterisation and lipid bilayer interaction of fluorescent tagged Prodrug. Journal of Molecular Structure 1312 (2) , 138614. 10.1016/j.molstruc.2024.138614

Platts, James A.

2024. Welcoming neighbour or inhospitable host? Selective second metal binding in 5- and 6-phospha-substituted Bpy ligands. Molecules 29 (5) , 1150. 10.3390/molecules29051150

Pocock, Emily, Diefenbach, Martin, Hood, Thomas M., Nunn, Michael, Richards, Emma

, Krewald, Vera and Webster, Ruth L. 2024. Synthetic and mechanistic studies into the reductive functionalization of nitro compounds catalyzed by an Iion(salen) complex. Journal of the American Chemical Society 146 (29) , pp. 19839-19851. 10.1021/jacs.4c02797

Potter, Matthew E., Spiske, Lucas, Plessow, Philipp N., McShane, Evangeline B., Carravetta, Marina, Oakley, Alice E., Bere, Takudzwa, Carter, James H., Vandegehuchte, Bart D., Kaźmierczak, Kamila M., Studt, Felix and Raja, Robert 2024. Combining computational and experimental studies to gain mechanistic insights for n -butane isomerisation with a model microporous catalyst. Catalysis Science & Technology 14 (24) , pp. 7140-7151. 10.1039/d4cy01035c

Pramanik, Milan, Das, Sampurna, Babaahmadi, Rasool, Pahar, Sanjukta, Wirth, Thomas

2024. B(C6F5)3-catalyzed selective C-H chalcogenation of arenes and heteroarenes. Chem 10 (9) , pp. 2901-2915. 10.1016/j.chempr.2024.05.025

Rahim, Shahnaz, Sadiq, Abdul, Javed, Aneela, Kubicki, Maciej, Kariuki, Benson

, Assad, Mohammad, Muhammad, Niaz, Fatima, Nighat, Khan, Momin, AlAsmari, Abdullah F. and Alasmari, Fawaz 2024. In vitro anticancer, antioxidant, antimicrobial, antileishmanial, enzymes inhibition and in vivo anti-inflammatory activities of organotin(IV) derivatives of 4-bromophenoxyacetic acid. Journal of Molecular Structure 1313 (5) , 138703. 10.1016/j.molstruc.2024.138703
Item availability restricted.

Rahman, Md Taifur and Wirth, Thomas

2024. Sicherer Umgang mit gefährlichen Chemikalien im Durchfluss. Sharma, Upendra K. and Van der Eycken, Erik V., eds. Flow-Chemie für die Synthese von Heterocyclen, Cham: Springer, 375–408. (10.1007/978-3-031-51912-3_8)

Rani, Sadia, Aslam, Samina, Lal, Kiran, Noreen, Sobia, Alsader, Khadeeja Ali Mohammed, Hussain, Riaz, Shirinfar, Bahareh and Ahmed, Nisar

2024. Electrochemical C−H/C−C bond oxygenation: A potential technology for plastic depolymerization. The Chemical Record 24 (3) , e202300331. 10.1002/tcr.202300331

Richards, Nigel G. J.

and Naismith, James H. 2024. The chemistry of Formycin biosynthesis. Frontiers in Chemical Biology 3 , 1428646. 10.3389/fchbi.2024.1428646

Robison-Smith, Charlotte, Masud, Numair, Tarring, Eve C., Ward, Benjamin D.

and Cable, Jo

2024. A class of their own? Water-soluble polymer pollution impacting a freshwater host-pathogen system. Science of the Total Environment 907 , 168086. 10.1016/j.scitotenv.2023.168086

Rowsell, Benjamin J. S., O'Brien, Harry M., Athavan, Gayathri, Daley-Dee, Patrick R., Krieger, Johannes, Richards, Emma

, Heaton, Karl, Fairlamb, Ian J. S. and Bedford, Robin B. 2024. The iron-catalysed Suzuki coupling of aryl chlorides. Nature Catalysis 7 , pp. 1186-1198. 10.1038/s41929-024-01234-0

Royo Miguel, Sara 2024. Engineering light-inducible transcription factors for control of gene expression. PhD Thesis, Cardiff University.

Item availability restricted.

Salli, Sofia 2024. Tio2 modifications and their environmental photocatalytic performance: an epr investigation. PhD Thesis, Cardiff University.

Item availability restricted.

Sama, Folasade J., Doyle, Rachel A., Kariuki, Benson M.

, Pridmore, Natalie E., Sparkes, Hazel A., Wingad, Richard L. and Wass, Duncan F.

2024. Backbone-functionalised ruthenium diphosphine complexes for catalytic upgrading of ethanol and methanol to iso-butanol †. Dalton Transactions 53 (18) , pp. 8005-8010. 10.1039/d4dt00561a

Saunders, Korrin, Golunski, Stanislaw

, Plucinski, Pawel, Pintar, Albin and Zerjav, Gregor 2024. Exploring the feasibility of continuous CWAO of bisphenol A at near-ambient temperature and pressure through use of hydrophobic Pt catalysts. Applied Catalysis A: General 676 , 119637. 10.1016/j.apcata.2024.119637

Savva, Loizos and Platts, James A.

2024. Computational investigation of copper-mediated conformational changes in α-synuclein dimer †. Physical Chemistry Chemical Physics 26 (4) , pp. 2926-2935. 10.1039/d3cp04697d

Sejie, Fortunate P., Oyetunji, Olayinka A., Makhubela, Banothile C. E., Darkwa, James and de Leeuw, Nora H.

2024. Evaluation of cobalt, nickel, and palladium complexes as catalysts for the hydrogenation and improvement of oxidative stability of biodiesel. Catalysts 14 (9) , 653. 10.3390/catal14090653

Serpi, Michaela

, di Ciano, Samule and Pertusati, Fabrizio

2024. Design, synthesis and biological evaluation of aryloxy thiophosphoramidate triesters of anticancer nucleoside analogues. Bioorganic and Medicinal Chemistry 103 , 117696. 10.1016/j.bmc.2024.117696

Shan, Lutong, Ma, Yujie, Xu, Shaojun, Zhou, Meng, He, Meng, Sheveleva, Alena M., Cai, Rongsheng, Lee, Daniel, Cheng, Yongqiang, Tang, Boya, Han, Bing, Chen, Yinlin, An, Lan, Zhou, Tianze, Wilding, Martin, Eggeman, Alexander S., Tuna, Floriana, McInnes, Eric J. L., Day, Sarah J., Thompson, Stephen P., Haigh, Sarah J., Kang, Xinchen, Han, Buxing, Schröder, Martin and Yang, Sihai 2024. Efficient electrochemical reduction of nitrate to ammonia over metal-organic framework single-atom catalysts. Communications Materials 5 (1) , 104. 10.1038/s43246-024-00535-y

Shao, Li, Daisley, Angela, Higham, Michael, Catlow, C. Richard A.

, Hargreaves, Justin S.J. and Hector, Andrew L. 2024. Structures and ammonia synthesis activity of hexagonal ruthenium iron nitride phases. iScience 27 (9) , 110795. 10.1016/j.isci.2024.110795

Sharp, Gregory, Lewis, Richard J., Liu, Junhong, Magri, Guiseppina, Morgan, David J.

, Davies, Thomas E., Lopez-Martín, Ángeles, Li, Rong-Jian, Morris, Callum R., Murphy, Damien M.

, Dugulan, A. Iulian, Chen, Liwei, Liu, Xi and Hutchings, Graham J.

2024. Benzyl alcohol valorization via the in situ production of reactive oxygen species. ACS Catalysis 14 , 15279–15293. 10.1021/acscatal.4c04698

Shen, Lingqin, Sun, Luyao, Douthwaite, Mark, Akdim, Ouardia, Taylor, Stuart

2024. Hollow Au1Cu1(111) bimetallic catalyst promotes the selective electrochemical conversion of glycerol into glycolic acid. ACS Catalysis , 11343–11351. 10.1021/acscatal.4c00483

Sheng, Nan, Lin, Dong, Liang, Wei, Zhao, Chenyang, Liu, Yujia, Zhu, Yunfeng, Song, Zhaoning, Jiang, Jie, Xu, Wei, Yang, Zhe, Sun, Bing, Feng, Xiang and Yang, Chaohe 2024. Intracrystalline diffusion regulation of Au/hierarchical TS-1 for simultaneously enhanced stability and selectivity in propene epoxidation with H2 and O2. Chemical Engineering Science 300 , 120538. 10.1016/j.ces.2024.120538
Item availability restricted.

Sheng, Yujun, Hazmatulhaq, Farah, Mahmud, Abdullah Al, Sayed, Mostafa S., Hussain, Iftikhar, Leoni, Stefano

, Al Zoubi, Wail and Ko, Young Gun 2024. Confinement and synergy effects of supported-confined bimetal catalysts with superior stability and catalytic activity. Journal of Energy Chemistry 99 , pp. 93-99. 10.1016/j.jechem.2024.07.022
Item availability restricted.

Shi, Jin-Hua, Sun, Ze, Pickett, John A.

, Hu, Xin-Jun, Wang, Chao, Liu, Le, Jin, Huanan, Abdelnabby, Hazem, Foba, Caroline Ngichop, Yang, Xue-Qing, Chang, Xiang-Qian and Wang, Man-Qun 2024. Unprecedented oviposition tactics avoid plant defences and reduce attack by parasitic wasps. Plant, Cell and Environment 47 (1) , pp. 308-318. 10.1111/pce.14731

Silva, Adervando, Hurdley, Franciska, de Oliveira, Andre Luiz Menezes, Slater, Thomas

, da Silva Maia, Ary, Folli, Andrea

and dos Santos, Ieda Maria Garcia 2024. An EPR investigation on reduced Sn centres in SrSnO3 perovskite. Materials Letters 368 , 136705. 10.1016/j.matlet.2024.136705

Singh, Fateh and Wirth, Thomas

2024. Selected Diastereoselective Reactions: Hypervalent iodine chemistry. Cossy, Janine, ed. Comprehensive Chirality Volume 1: Chiral Pool and Diastereoselective Synthesis, Elsevier,

Sivagurunathan, Suganya, Marcotti, Stefania, Nelson, Carl J., Jones, Martin L., Barry, David J., Slater, Thomas J. A.

, Eliceiri, Kevin W. and Cimini, Beth A. 2024. Bridging imaging users to imaging analysis - A community survey. Journal of Microscopy 296 (3) , pp. 199-213. 10.1111/jmi.13229

Smalley, Christopher J. H., Hughes, Colan E., Hildebrand, Mariana, Aizen, Ruth, Bauer, Melanie, Yamano, Akihito, Levy, Davide, Mirsky, Simcha K., Shaked, Natan T., Young, Mark T.

, Kolb, Ute, Gazit, Ehud, Kronik, Leeor and Harris, Kenneth D. M.

2024. Understanding the solid-state structure of riboflavin through a multitechnique approach. Crystal Growth and Design 24 (15) , pp. 6256-6266. 10.1021/acs.cgd.4c00480

Smith, Keith and El-Hiti, Gamal A.

2024. Synthesis of several 2,7-dibromoacridine derivatives, including 4-[2-(succinimidyloxycarbonyl)ethyl]phenyl 2,7-dibromo-10-methylacridinium-9-carboxylate trifluoromethanesulfonate. ARKIVOC 2024 (1) , 202412307. 10.24820/ark.5550190.p012.307

Smith, Keith, Holland, Andy M., Woodhead, J. Stuart and El‐Hiti, Gamal A.

2024. Synthesis of 9‐(substituted phenoxycarbonyl)‐10‐methylacridinium trifluoromethanesulfonates: Effects of the leaving group on chemiluminescent properties. Luminescence 39 (6) , e4794. 10.1002/bio.4794

Srivastava, Prabhakar L.

, Johns, Sam T., Voice, Angus, Morley, Katharine, Escorcia, Andrés M., Miller, David J., Allemann, Rudolf K.

and van der Kamp, Marc W. 2024. Simulation-guided engineering enables a functional switch in selinadiene synthase toward hydroxylation. ACS Catalysis 14 (14) , 11034–11043. 10.1021/acscatal.4c02032

Srivastava, Prabhakar L.

, Johnson, Luke A.

, Miller, David J. and Allemann, Rudolf K.

2024. Production of non-natural terpenoids through chemoenzymatic synthesis using substrate analogs. Methods in Enzymology, Elsevier, (10.1016/bs.mie.2024.03.015)

Stacey, Edward 2024. Computational studies of the structures and properties of microporous materials. PhD Thesis, Cardiff University.

Item availability restricted.

Stenner, Alexander 2024. Chemo-enzymatic cascades via in-situ generated h2o2 over supported aupd nanoparticles. PhD Thesis, Cardiff University.
Item availability restricted.

Stere, Cristina E., Delarmelina, Maicon

, Dlamini, Mbongiseni W., Chansai, Sarayute, Davies, Philip R.

and Hardacre, Christopher 2024. Removal and oxidation of low concentration tert -butanol from potable water using nonthermal plasma coupled with metal oxide adsorption. ACS ES&T engineering 4 (9) , pp. 2121-2134. 10.1021/acsestengg.4c00166

Stewart, Jack A., Pearce, Joseph I., Cullen, Matthew J., Kociok-Köhn, Gabrielle, Ward, Benjamin D.

, Davidson, Matthew G. and Jones, Matthew D. 2024. Zinc {ONO} complexes for the chemical recycling of PET and PLA. Catalysis Today 445 , 115037. 10.1016/j.cattod.2024.115037

Stishenko, Pavel, McSloy, Adam, Onat, Berk, Hourahine, Ben, Maurer, Reinhard J., Kermode, James R. and Logsdail, Andrew

2024. Integrated workflows and interfaces for data-driven semi-empirical electronic structure calculations. The Journal of Chemical Physics 161 (1) , 012502. 10.1063/5.0209742

Stokes, Emily C., Shoetan, Ibrahim O., Gillman, Alice M., Horton, Peter N., Coles, Simon J., Woodbury, Simon E., Fallis, Ian A.

2024. Alkyl chain functionalised Ir(iii) complexes: synthesis, properties and behaviour as emissive dopants in microemulsions. RSC Advances 14 (10) , pp. 6987-6997. 10.1039/D3RA06764E

Sun, Jia, Hayward, James S., Barter, Michael

, Slocombe, Daniel R.

and Bartley, Jonathan K.

2024. Designing heterogeneous catalysts for microwave assisted selective oxygenation. ChemCatChem 16 (19) , e202301586. 10.1002/cctc.202301586

Sun, Shijia, Higham, Michael D., Zhang, Xingfan and Catlow, C. Richard A.

2024. Multiscale investigation of the mechanism and selectivity of CO2 hydrogenation over Rh(111). ACS Catalysis 14 , 5503–5519. 10.1021/acscatal.3c05939

Sun, Shuzhuang, Chen, Zheng, Xu, Yikai, Wang, Yuanyuan, Zhang, Yingrui, Dejoie, Catherine, Xu, Shaojun, Xu, Xin and Wu, Chunfei 2024. Potassium-promoted limestone for preferential direct hydrogenation of carbonates in integrated CO 2 capture and utilization. JACS Au 4 (1) , pp. 72-79. 10.1021/jacsau.3c00403

Tan, Kok-Hou

, Lin, Chen-Yu and Shih, Yang-hsin 2024. Microwave-assisted synthesis of hydrangea-like graphitic carbon nitride as an effective photocatalyst in dye degradation and hydrogen generation. ACS ES&T Water 4 (12) , 5902–5912. 10.1021/acsestwater.4c00879

Tang, T. M. Simon and Luk, Louis Y. P.

2024. Towards controlling activity of a peptide asparaginyl ligase (PAL) by lumazine synthetase compartmentalization. Faraday Discussions 252 , pp. 403-421. 10.1039/D4FD00002A

Tarring, Eve, Robison-Smith, Charlotte, Cable, Jo

, Durance, Isabelle

, Harbottle, Michael

2024. Detection of polyvinylpyrrolidone in Daphnia magna: Development of a refractive index quantification method for water-soluble polymers in aquatic organisms. Science of the Total Environment 935 , 173428. 10.1016/j.scitotenv.2024.173428

Tarring, Eve C., Durance, Isabelle

, Harbottle, Michael J.

, Lucas, Robert, Read, Daniel S. and Ward, Benjamin D.

2024. Water-soluble polymers: emerging contaminants detected, separated and quantified by a novel Gpc/Maldi-Tof method. Environmental Pollution 340 (1) , 122888. 10.1016/j.envpol.2023.122888

Thangavel, Kavipriya, Folli, Andrea

, Fischer, Marcus, Hartmann, Martin, Murphy, Damien M.

and Pöppl, Andreas 2024. Utilizing EPR spectroscopy to investigate the liquid adsorption properties of bimetallic MIL-53(Al/Cr) MOF †. RSC Advances 14 (6) , pp. 4244-4251. 10.1039/d3ra07952j

Thomas, Harry 2024. Modelling approaches to p-Xylene catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Thomas, Harry N., Wass, Duncan F.

, Offiler, Caroline A., Whiston, Keith and Logsdail, Andrew J.

2024. First principles investigation of manganese catalyst structure and coordination in the p -xylene oxidation process. Catalysis Science & Technology 14 (19) , pp. 5634-5643. 10.1039/d4cy00284a

Tigwell, Max 2024. Tailoring Pt/TiO2 catalysts: particle size and support modifications for enhanced oxidation reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Ungerer, Marietjie J.

, Adei, Evans, Amakali, Theopolina, Botchway, Cecil H., Daniel, Likius S., Darkwa, James, Dzade, Nelson Y.

, Mbaiwa, Foster, Mensah, Mary, Nyepetsi, Maipelo, Makhubela, Banothile, Mitchell, Claire E., Olaoye, Oluwasegun Emmanuel, Oyetunji, Olayinka A., Sankar, Meenakshisundaram

, Sejie, Fortunate P., Sheehama, Jacobina, Tia, Richard, Uahengo, Veikko, Živković, Aleksandar

2024. Chem4Energy: a consortium of the Royal Society Africa Capacity-Building Initiative. Interface Focus 14 (4) , 20240001. 10.1098/rsfs.2024.0001

van Ingen, Yara 2024. Modifying the coordination sphere of bismuth and tungsten: synthesis and applications. PhD Thesis, Cardiff University.
Item availability restricted.

Vladimirov, Vladimir 2024. The influence of dynamic coordination spheres in metal-based homogeneous catalysis. PhD Thesis, Cardiff University.

Item availability restricted.

Vladimirov, Vladimir Y., Charrier-Chardin, Matheo, Kariuki, Benson M.

, Ward, Benjamin D.

2024. Ringing the changes: Effects of heterocyclic ring size on stereoselectivity in [(η5-C5Me5)RhCl], [(η5-C5Me5)IrCl] and [Ru(η6-cymene)Cl] complexes of chiral 3-Amino-1-Azacycles. Molecules 29 (19) , 4659. 10.3390/molecules29194659

Wagner, Avital, Hill, Adam, Lemcoff, Tali, Livne, Eynav, Avtalion, Noam, Casati, Nicola, Kariuki, Benson M.

, Graber, Ellen R., Harris, Kenneth D. M.

, Cruz-Cabeza, Aurora J. and Palmer, Benjamin A. 2024. Rationalizing the influence of small-molecule dopants on guanine crystal morphology. Chemistry of Materials 36 (18) , 8910–8919. 10.1021/acs.chemmater.4c01771

Wagner, Avital, Merkelbach, Johannes, Samperisi, Laura, Pinsk, Noam, Kariuki, Benson M.

, Hughes, Colan E., Harris, Kenneth D. M.

and Palmer, Benjamin A. 2024. Structure determination of biogenic crystals directly from 3D electron diffraction data. Crystal Growth and Design 24 (3) , pp. 899-905. 10.1021/acs.cgd.3c01290

Wakchaure, Vivek C, Lorenzo-García, Maria Mercedes, Fasano, Francesco, Crosta, Martina, Biot, Nicolas, Mondal, Pradip Kumar, Demitri, Nicola, Ward, Benjamin

and Bonifazi, Davide 2024. Escape from flatland: Stereoselective synthesis of hexa‐aryl borazines and their sp²‐based 3D architectures. Angewandte Chemie , e202416700. 10.1002/ange.202416700
Item availability restricted.

Wallace, William T., Hayward, James S., Marsh, Amy R. and Bartley, Jonathan K.

2024. The antisolvent precipitation of CuZnOx mixed oxide materials using a choline chloride-urea deep eutectic solvent. Molecules 29 (14) , 3357. 10.3390/molecules29143357

Wang, Kang 2024. Catalysis at microstructured gas-liquid-solid interfaces. PhD Thesis, Cardiff University.
Item availability restricted.

Wang, Kang, Davies-Jones, Josh, Graf, Arthur, Carravetta, Marina, Davies, Philip R.

and Pera-Titus, Marc 2024. Amphiphilic Janus particles for aerobic alcohol oxidation in oil foams. ACS Catalysis 14 , 11545–11553. 10.1021/acscatal.4c00909

Wang, Kang and Pera Titus, Marc 2024. Microstructured gas-liquid-(solid) interfaces: A platform for sustainable synthesis of commodity chemicals. Science Advances 10 (22) , eado5448. 10.1126/sciadv.ado5448

Wang, Kang, Wang, Yucheng and Pera-Titus, Marc 2024. Liquid–liquid and gas–liquid dispersions in electrochemistry: concepts, applications and perspectives †. Chemical Society Reviews 53 (24) , pp. 11701-11724. 10.1039/d3cs00535f

Wang, Kang, Zhang, Shi, Dedovets, Dmytro and Pera-Titus, Marc 2024. Ethanol foams stabilized by isobutyl-based POSS–organosilica dual-particle assemblies. ACS Applied Materials and Interfaces 16 (10) , pp. 13282-13290. 10.1021/acsami.3c18615

Wang, Weiyu, Lewis, Richard J., Lu, Bintian, Wang, Qiang, Hutchings, Graham J.

, Xu, Jun and Deng, Feng 2024. The role of adsorbed species in 1-butene isomerization: Parahydrogen-induced polarization NMR of Pd-Au catalyzed butadiene hydrogenation. ACS Catalysis 14 (4) , 2522–2531. 10.1021/acscatal.3c05968

Wang, Yi‐Chi, Slater, Thomas J. A.

, Leteba, Gerard M., Lang, Candace I., Wang, Zhong Lin and Haigh, Sarah J. 2024. In situ single particle reconstruction reveals 3D evolution of PtNi nanocatalysts during heating. Small 20 (10) , 2302426. 10.1002/smll.202302426

Ward, Ashley 2024. Enhancing the design of catalysts for the direct synthesis of hydrogen peroxide. PhD Thesis, Cardiff University.
Item availability restricted.

Warren, Jack 2024. Boron-nitride doped polycyclic aromatic hydrocarbon co-crystals for 2-D molecular recognition. PhD Thesis, Cardiff University.
Item availability restricted.

Whitelegge, James 2024. Sustainable catalysts for sustainable fuel production. PhD Thesis, Cardiff Univeristy.
Item availability restricted.

Williams, Thomas L.

, Taily, Irshad M., Hatton, Lewis, Berezin, Andrey A, Wu, Yi‐Lin

, Moliner, Vicent, Świderek, Katarzyna, Tsai, Yu‐Hsuan

2024. Secondary amine catalysis in enzyme design: broadening protein template diversity through genetic code expansion. Angewandte Chemie International Edition 10.1002/anie.202403098

Wright, Anna 2024. The design and application of heavy-atom-free and redox-active organic triplet photosensitizers. PhD Thesis, Cardiff University.
Item availability restricted.

Xu, Yang, Lin, Dong, Zong, Ze, He, Qiuming, Ma, Zhe, Deng, Xuliang, Chen, De, Yang, Chaohe and Feng, Xiang 2024. Ammonia-regulated dynamic evolution of Ti precursor incorporating into dealuminized beta for efficient 1-Hexene epoxidation. Chemical Engineering Science 300 , 120594. 10.1016/j.ces.2024.120594
Item availability restricted.

Young, Taylor 2024. The application driven synthesis and modification of chemically recyclable polyesters. PhD Thesis, Cardiff University.
Item availability restricted.

Yu, Cihang, Leitch, Jamie A., Gierlichs, Lukas, Das, Sampurna, Porch, Adrian

and Browne, Duncan L.

2024. Use of microwave dielectric spectroscopy for the In Actu assessment of frustrated Lewis Pair encounter complexes. Journal of the American Chemical Society 146 (29) , 19809–19817. 10.1021/jacs.4c02736

Zhang, Bin, Yuan, Haiyang, Liu, Ye, Deng, Zijie, Douthwaite, Mark, Dummer, Nicholas F.

, Lewis, Richard J., Liu, Xingwu, Luan, Sen, Dong, Minghua, Wang, Tianjiao, Xu, Qingling, Zhao, Zhijuan, Liu, Huizhen, Han, Buxing and Hutchings, Graham J.

2024. Ambient-pressure alkoxycarbonylation for sustainable synthesis of ester. Nature Communications 15 (1) , 7837. 10.1038/s41467-024-52163-2

Zhang, Guyu, Liu, Xiaoteng, Lei, Hanhui, Wang, Yucheng, Bildan, Denise, Zhuge, Xiangqun, Xing, Lei and Luo, Kun 2024. Scale-up study of electrochemical carbon dioxide reduction process through data-driven modelling. Fuel 373 , 132400. 10.1016/j.fuel.2024.132400

Zhang, Jiankang, Qiao, Panzhe, Tan, Hao, Cui, Lin, Zhou, Zhan, Lin, Dong, Tuo, Yongxiao and Qin, Yong 2024. Species heterogeneity and synergy to boost photocatalytic hydrogen evolution. ACS Catalysis 14 (20) , pp. 15699-15712. 10.1021/acscatal.4c03593
Item availability restricted.

Zhang, Peipei, Sun, Hanlei, Lu, Xiuyuan, Oh, Rena, Zhang, Nuowei, Akdim, Ouardia, Roldan, Alberto

, Huang, Xiaoyang and Chen, Binghui 2024. Tandem reactions on phase separated MnO2 and C to enhance formaldehyde conversion to hydrogen. International Journal of Hydrogen Energy 51 (Part C) , pp. 982-992. 10.1016/j.ijhydene.2023.10.281

Zhang, Xingfan, Blackman, Christopher, Palgrave, Robert G., Ashraf, Sobia, Dey, Avishek, Blunt, Matthew O., Zhang, Xu, Liu, Taifeng, Sun, Shijia, Zhu, Lei, Guan, Jingcheng, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C. Richard A.

and Sokol, Alexey A. 2024. Environment-driven variability in absolute band edge positions and work functions of reduced ceria. Journal of the American Chemical Society 146 , 16814–16829. 10.1021/jacs.4c05053

Zhao, Guolin, Li, Yao, Zhen, Wen, Gao, Jie, Gu, Yunjiao, Hong, Bing, Han, Xia, Zhao, Shuangliang and Pera-Titus, Marc 2024. Enhanced biphasic reactions in amphiphilic silica mesopores. Journal of Physical Chemistry C 128 (4) , pp. 1644-1653. 10.1021/acs.jpcc.3c07477

Zheng, Zhikeng, Liu, Bin, Qiu, Jiaxiang, Xu, Shaojun, Wang, Yuchen, Zhang, Man, Li, Ke, Sun, Zhongti, Li, Ziang, Wan, Yangyang, Catlow, C. Richard A.

and Yan, Kai 2024. Effectively regulating electrooxidation of formic acid over bimetallic PtCo alloys via the integration of theory and experiment. ACS Catalysis 14 (24) , pp. 18333-18344. 10.1021/acscatal.4c06198
Item availability restricted.

Zhu, Lei, Zhang, Xingfan, Hou, Qing, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C. Richard A.

and Sokol, Alexey A. 2024. Formation of intrinsic point defects in AlN: a study of donor and acceptor characteristics using hybrid QM/MM techniques †. Journal of Materials Chemistry A: materials for energy and sustainability 12 (37) , pp. 25449-25464. 10.1039/d4ta04335a

Zhu, Pengcheng, Boyce, Adam, Daemi, Sohrab R., Dong, Bo, Chen, Yongxiu, Guan, Shaoliang, Crozier, Mickey, Chiu, Yu-Lung, Davenport, Alison J., Jervis, Rhodri, Shearing, Paul, Esfahani, Reza N., Slater, Peter R. and Kendrick, Emma 2024. A groovy laser processing route to achieving high power and energy lithium-ion batteries. Energy Storage Materials 69 , 103373. 10.1016/j.ensm.2024.103373

Zong, Ze, Deng, Xuliang, Lin, Dong, Xu, Yang, He, Qiuming, Ma, Zhe, Chen, De, Yang, Chaohe and Feng, Xiang 2024. Shielding effect-engineered single-crystalline Ti-rich nanosized aggregated TS-1 for 1-hexene epoxidation. AIChE Journal 70 (11) , e18566. 10.1002/aic.18566
Item availability restricted.

Zou, Run, Bramley, Gabriel A., Xu, Shanshan, Chansai, Sarayute, Panchal, Monik, Chen, Huanhao, Zhou, Yangtao, Gao, Pan, Hou, Guangjin, Holmes, Stuart M., Hardacre, Christopher, Jiao, Yilai, Logsdail, Andrew J.

and Fan, Xiaolei 2024. Anchoring highly dispersed metal nanoparticles by strong electrostatic adsorption (SEA) on a dealuminated beta zeolite for catalysis. Catalysis Science & Technology 14 , pp. 164-173. 10.1039/d3cy01334k

2023

Hutchings, Graham

, Davidson, Matthew, Catlow, Richard

, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. 2023. Modern developments in catalysis - Volume 2. World Scientific Publishing Europe Ltd. 10.1142/q0354

Abdel-Wahab, Bakr F., Alanazi, Saud A., Yousif, Emad, Kariuki, Benson M.

and El-Hiti, Gamal A.

2023. Crystal structure of (Z)-3-(3-(4-hydroxyphenyl)-2-(phenylimino)-2,3-dihydrothiazol-4-yl)-2H-chromen-2-one, C24H16N2O3S. Zeitschrift für Kristallographie - New Crystal Structures 239 (1) , pp. 151-153. 10.1515/ncrs-2023-0504

Abdel-Wahab, Bakr F., Alanazi, Saud A., Yousif, Emad, Kariuki, Benson M.

and El-Hiti, Gamal A.

2023. Crystal structure of (Z)-3-(4-methoxyphenyl)-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-N-phenylthiazol-2(3H)-imine, C25H21N5OS. Zeitschrift für Kristallographie - New Crystal Structures 239 (1) , pp. 147-149. 10.1515/ncrs-2023-0503

Abdel-Wahab, Bakr F., Kariuki, Benson M.

, Mohamed, Hanan A., Bekheit, Mohamed S., Awad, Hanem M. and El-Hiti, Gamal A. 2023. Synthesis and anticancer activity of 3-(1-aryl-5-methyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazole-4-carbaldehydes. Journal of Molecular Structure 1294 , 136528. 10.1016/j.molstruc.2023.136528

Abdel-Wahab, Bakr F., Bekheit, Mohamed S., Kariuki, Benson M.

and El-Hiti, Gamal A.

2023. ( E )- N’ -(1-(Benzofuran-2-yl)ethylidene)-1-(4-Methoxyphenyl)-5-Methyl-1 H -1,2,3-Triazole-4-Carbohydrazide. Molbank 2023 (2) , M1657. 10.3390/m1657

Abdel-Wahab, Bakr F., Farahat, Abdelbasset A., Bekheit, Mohamed S., Yousif, Emad, Kariuki, Benson M.

and El-Hiti, Gamal A. 2023. (E)-5-(4-Methoxyphenyl)-N?-(2-oxoindolin-3-ylidene)-1-phenyl-1H-pyrazole-3-carbohydrazide. IUCrData 8 (5) , x230455. 10.1107/S2414314623004558

Abdel-Wahab, Bakr F., Farahat, Abdelbasset A., Kariuki, Benson M.

and El-Hiti, Gamal A.

2023. ( E )-1-(5-methyl-1-(4-nitrophenyl)-1 H -1,2,3-triazol-4-yl)ethan-1-one oxime. Molbank 2023 , M1593. 10.3390/m1593

Abdel-Wahab, Bakr F., Kariuki, Benson M.

, Mohamed, Hanan A., Bekheit, Mohamed S. and El-Hiti, Gamal A. 2023. Synthesis of new derivatives of the 1H-1,2,3-triazole ring using 1-aryl-5-phenyl-1H-1,2,3-triazole-4-carbohydrazides as precursors. ARKIVOC (7) 10.24820/ark.5550190.p012.020

Abdel-Wahab, Bakr F., Kariuki, Benson M.

, Mohamed, Hanan A. and El-Hiti, Gamal A.

2023. Catalyst-free synthesis of Novel 4-(Benzofuran-2-yl)- N -phenylthiazol-2(3 H )-imines, crystal structure elucidation, and the effect of phenyl substitution on crystal packing. Crystals 13 (8) , 1239. 10.3390/cryst13081239

Abdel-Wahab, Bakr F., Mohamed, Hanan A., Kariuki, Benson M.

and El-Hiti, Gamal A.

2023. (2 Z,5 Z )-5-((3-(Benzofuran-2-yl)-1-phenyl-1 H -pyrazol-4-yl)methylene)-2-((4-methoxyphenyl)imino)-3-phenylthiazolidin-4-one. Molbank 2023 (2) , M1665. 10.3390/m1665

Abdul Nasir, Jamal, Guan, Jingcheng, Keal, Thomas W., Desmoutier, Alec W., Lu, You, Beale, Andrew M., Catlow, Charles

and Sokol, Alexey A. 2023. Influence of solvent on selective catalytic reduction of nitrogen oxides with ammonia over cu-cha zeolite. Journal of the American Chemical Society 145 , pp. 247-259. 10.1021/jacs.2c09823

Ahmad, Bello B., Davies, Philip R.

, Powell, Jessica and Toledo Camacho, Sandra 2023. Effect of alkali metal cations on the TiO2 P25 catalyst for hydrogen generation by the photoreforming of glycerol. ChemistrySelect 8 (48) , e202304301. 10.1002/slct.202304301

Ahmed, Yusra, Paul, Alison

, Hribar Boštjančič, Patricija, Lisjak, Darja, Mertelj, Alenka and Zabek, Daniel

2023. Synthesis of barium hexaferrite nano-platelets for ethylene glycol ferrofluids. Journal of Materials Chemistry C 11 (45) , pp. 16066-16073. 10.1039/D3TC03833E

Al Rahal, Okba, Kariuki, Benson M.

, Hughes, Colan E., Williams, P.Andrew, Xu, Xiaoyan, Gaisford, Simon, Iuga, Dinu and Harris, Kenneth D. M.

2023. Unraveling the Complex Solid-State Phase Transition Behavior of 1-Iodoadamantane, a Material for Which Ostensibly Identical Crystals Undergo Different Transformation Pathways. Crystal Growth and Design 23 (5) , pp. 3820-3833. 10.1021/acs.cgd.3c00223

Al Sobhi, Samia, AlShibane, Ihfaf, Catlow, C. Richard A.

, Daisley, Angela, Hargreaves, Justin S. J., Hector, Andrew L., Higham, Michael D. and Zeinalipour‐Yazdi, Constantinos D. 2023. A Comparison of the reactivity of the lattice nitrogen in tungsten substituted Co3Mo3N and Ni2Mo3N. ChemSusChem 16 (22) , e202300945. 10.1002/cssc.202300945

Al Zoubi, Wail, Assfour, Bassem, Wahab Allaf, Abdul, Leoni, Stefano

, Kang, Jee-Hyun and Ko, Young Gun 2023. Experimental and theoretical investigation of high-entropy-alloy/support as a catalyst for reduction reactions. Journal of Energy Chemistry 81 , pp. 132-142. 10.1016/j.jechem.2023.02.042

Alenazy, Deemah 2023. Design and synthesis of luminescent probes aimed at biologically important targets. PhD Thesis, Cardiff University.
Item availability restricted.

Alharbi, Mashael 2023. Novel main group Lewis acids for synthesis and catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Alharbi, Mashael, van Ingen, Yara, Roldan Martinez, Alberto

, Kaehler, Tanja and Melen, Rebecca

2023. Synthesis and Lewis acidity of fluorinated triaryl borates. Dalton Transactions 52 (6) , pp. 1820-1825. 10.1039/D2DT04095F

Ali, Rojan, Babaahmadi, Rasool, Didsbury, Matthew, Stephens, Rebecca, Melen, Rebecca L.

and Wirth, Thomas

2023. Flow electrochemistry for the N‐Nitrosation of secondary amines. Chemistry - A European Journal 29 (32) , e202300957. 10.1002/chem.202300957

Ali, Rojan, Patra, Tuhin and Wirth, Thomas

2023. Alkene reactions with superoxide radical anions in flow electrochemistry. Faraday Discussions 247 , pp. 297-301. 10.1039/D3FD00050H

Alkahtani, Rawiyah and Wirth, Thomas

2023. Synthesis of Chiral Iodoaniline-Lactate Based Catalysts for the α-Functionalization of Ketones. ACS Organic & Inorganic Au 3 (4) , pp. 209-216. 10.1021/acsorginorgau.3c00012

Alkayal, Anas, Avanthay, Mickaël, Batanero, Belen, Broersen, Pim, Brown, Richard C. D., Chen, Luke, Chuang, Ping-Chang, Fuchigami, Toshio, Inagi, Shinsuke, Kalyani, Dipannita, Lam, Kevin, Landis, Maya, Liu, T. Leo, Milner, Matthew J., Price, Robert, Shida, Naoki and Wirth, Thomas

2023. Flow cells and reactor design: General discussion. Faraday Discussions 247 , pp. 333-341. 10.1039/D3FD90042H

Allen, Lisa, Agote-Arán, Miren, Beale, Andrew M., Cong, Peixi, Mediavilla Madrigal, Sofia and Price, Stephen W.T. 2023. EXAFS studies of inorganic catalytic materials. Reedijk, Jan and Poeppelmeier, Kenneth R., eds. Comprehensive Inorganic Chemistry III, Elsevier, pp. 108-148. (10.1016/B978-0-12-823144-9.00158-8)

Allison, Thomas, Ward, Benjamin D.

, Harbottle, Michael

and Durance, Isabelle

2023. Do flushed biodegradable wet wipes really degrade? Science of the Total Environment 894 , 164912. 10.1016/j.scitotenv.2023.164912

Almoteiry, Ahlam 2023. Enhancing propane dehydrogenation: Insights into oxidative dehydrogenation and total oxidation pathways. PhD Thesis, Cardiff University.
Item availability restricted.

Alotaibi, Nusaybah, Babaahmadi, Rasool, Pramanik, Milan, Kaehler, Tanja, Dasgupta, Ayan, Richards, Emma

, Ariafard, Alireza, Wirth, Thomas

2023. B(3,4,5-F3H2C6)3 Lewis acid-catalysed C3-allylation of indoles. Dalton Transactions 52 (16) 10.1039/d3dt00745f

Alreshidi, Maha 2023. Developing heterogeneous catalysts for biomass conversion. PhD Thesis, Cardiff University.

Item availability restricted.

Alsharif, Heba 2023. Generation and use of nanoparticles for selective organic transformation. PhD Thesis, Cardiff University.
Item availability restricted.

Amer, Mabrook S., Arunachalam, Prabhakarn, Ghanem, Mohamed A., Al-Mayouf, Abdullah M. and Weller, Mark T. 2023. Photoelectrochemical performance of strontium titanium oxynitride photo-activated with cobalt phosphate nanoparticles for oxidation of alkaline water. Nanomaterials 13 (5) , 920. 10.3390/nano13050920

Arraq, Rafid R., Hadi, Angham G., Ahmed, Dina S., El-Hiti, Gamal A.

, Husain, Amani A., Bufaroosha, Muna and Yousif, Emad 2023. Enhancement of photostabilization of poly(vinyl chloride) in the presence of tin–cephalexin complexes. Polymers 15 (3) , 550. 10.3390/polym15030550

Aslam, Samina, Rani, Sadia, Lal, Kiran, Fatima, Miraj, Hardwick, Tomas, Shirinfar, Bahareh and Ahmed, Nisar

2023. Electrochemical hydrogen production: Sustainable hydrogen economy. Green Chemistry 25 (23) , pp. 9543-9573. 10.1039/D3GC02849F

Aslam, Samina, Sbei, Najoua, Rani, Sadia, Saad, Manal, Fatima, Aroog and Ahmed, Nisar

2023. Heterocyclic electrochemistry: renewable electricity in the construction of heterocycles. ACS Omega 8 (7) , pp. 6175-6217. 10.1021/acsomega.2c07378

Avanthay, Mickaël, Beeler, Joshua A., Batanero, Belen, Boucher, Dylan G., Brown, Richard C. D., Flexer, Victoria, Francke, Robert, Frontana-Uribe, Bernardo Antonio, Hosseini, Seyyedamirhossein, Luo, Long, Minteer, Shelley D., Price, Robert, Shida, Naoki, Ramos-Villaseñor, José Manuel and Wirth, Thomas

2023. New strategies in organic electrosynthesis: General discussion. Faraday Discussions 247 , pp. 125-131. 10.1039/D3FD90039H

Avard, Rachel C., Broad, Megan L., Zandkarimi, Fereshteh, Devanny, Alexander J., Hammer, Joseph L., Yu, Karen, Guzman, Asja and Kaufman, Laura J. 2023. DISC-3D: dual-hydrogel system enhances optical imaging and enables correlative mass spectrometry imaging of invading multicellular tumor spheroids. Scientific Reports 13 , 12383. 10.1038/s41598-023-38699-1

Ayama-Canden, Sophie, Tondo, Rodolfo, Pineros Leyton, Martha Liliana, Ninane, Noëlle, Demazy, Catherine, Dieu, Marc, Fattaccioli, Antoine, Sauvage, Aude, Tabarrant, Tijani, Lucas, Stéphane, Bonifazi, Davide

and Michiels, Carine 2023. Indacaterol inhibits collective cell migration and IGDQ-mediated single cell migration in metastatic breast cancer MDA-MB-231 cells. Cell Communication and Signaling 21 , 301. 10.1186/s12964-023-01340-9

Azizova, Liana R., Kulik, Tetiana V., Palianytsia, Borys B., Ilchenko, Mykola M., Telbiz, German M., Balu, Alina M., Tarnavskiy, Sergiy, Luque, Rafael, Roldan, Alberto

and Kartel, Mykola T. 2023. The role of surface complexes in ketenes formation from fatty acids via pyrolysis over silica: from platform molecules to waste biomass. Journal of the American Chemical Society 145 (49) , pp. 26592-26610. 10.1021/jacs.3c06966

Baragau, Ioan-Alexandru, Buckeridge, John, Nguyen, Kiem, Heil, Tobias, Sajjad, Tariq, Thomson, Stuart A. J., Rennie, Alistair, Morgan, David John

, Power, Nicholas P, Nicolae, Sabina, Titirici, Maria-Magdalena, Dunn, Steven and Kellici, Suela 2023. Outstanding visible light photocatalysis by nano-TiO2 hybrids with nitrogen-doped carbon quantum dots and/or reduced graphene oxide. Journal of Materials Chemistry A: materials for energy and sustainability 11 (18) 10.1039/D2TA09586F

Basu, Shalmali, Das, Debashree, Ansari, Zarina, Rana, Nabakumar, Majhi, Bhim, Patra, Dipendu, Kanungo, Ajay, Morgan, David

, Dutta, Sanjay and Sen, Kamalika 2023. A multispectroscopic approach for ultra-trace sensing of prostate specific antigen (PSA) by iron nanocomposite fabricated on graphene nanoplatelet. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 301 , 122955. 10.1016/j.saa.2023.122955

Basu, Shalmali, Das, Debashree, Morgan, David

, Hazra, Bibhas, Saha, Abhijit and Sen, Kamalika 2023. Green synthesis of copper iodide nanoparticles: gamma irradiation for spectroscopic sensing of cancer biomarker CA 19-9. Journal of Radioanalytical and Nuclear Chemistry 332 (9) , 3763–3778. 10.1007/s10967-023-09056-3

Beevers, Cameron, Francis, Samantha and Roldan, Alberto

2023. Symmetry analysis of irregular objects. Journal of Mathematical Chemistry 10.1007/s10910-022-01423-x

Bekheit, Mohamed S., Panda, Siva S., Kariuki, Benson M.

, Mahmoud, Sara H., Mostafa, Ahmed and Girgis, Adel S. 2023. Spiroindole-containing compounds bearing phosphonate group of potential Mpro-SARS-CoV-2 inhibitory properties. European Journal of Medicinal Chemistry 258 , 115563. 10.1016/j.ejmech.2023.115563

Bellomi, Silvio, Barlocco, Ilaria, Tumiati, Simone, Fumagalli, Patrizia, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2023. Effect of oxygen functionalities on the hydrous hydrazine decomposition over carbonaceous materials. Dalton Transactions 52 (43) , pp. 15871-15877. 10.1039/D3DT02310A

Bellomi, Silvio, Barlocco, Ilaria, Chen, Xiaowei, Delgado, Juan J., Arrigo, Rosa, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2023. Enhanced stability of sub-nanometric Iridium decorated graphitic carbon nitride for H2 production upon hydrous hydrazine decomposition. Physical Chemistry Chemical Physics 25 (2) , pp. 1081-1095. 10.1039/D2CP04387D

Beynon, Owain T.

, Owens, Alun, Tarantino, Giulia, Hammond, Ceri

2023. Computational study of the solid-state incorporation of Sn(II) Acetate into Zeolite β. Journal of Physical Chemistry C 127 (38) , pp. 19072-19087. 10.1021/acs.jpcc.3c02679

Beynon, OwainT., Owens, Alun, Carbogno, Christian and Logsdail, Andrew J.

2023. Evaluating the role of anharmonic vibrations in zeolite β materials. Journal of Physical Chemistry C 127 (32) , pp. 16030-16040. 10.1021/acs.jpcc.3c02863

Bijaya, Bijaya K., Lingden, Chetan Prasad, Pokhrel, Tamlal, Paudel, Manisha, Sajid, Kiran, Adhikari, Achyut, Shirinfar, Bahareh and Ahmed, Nisar

2023. Cathodic electrolysis: Electroreductive organic synthesis. ChemElectroChem 10 (23) , e202300289. 10.1002/celc.202300289

Bijaya, B.K., Pokhrel, Tamlal, Shrestha, Dipesh, Adhikari, Achyut, Shirinfar, Bahareh and Ahmed, Nisar

2023. Electrodes selection in electro-organic synthesis. Wandelt, Klaus and Bussetti, Gianlorenzo, eds. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, pp. 23-35. (10.1016/B978-0-323-85669-0.00048-9)

Boruah, Tribani, Melen, Rebecca L.

and Wirth, Thomas

2023. Isodesmic metathesis chemistry: A novel way to recycle P(V). Chem Catalysis 3 (8) , 100731. 10.1016/j.checat.2023.100731

Boucher, Alexandre, Jones, Glenn and Roldan Martinez, Alberto

2023. Toward a new definition of surface energy for late transition metals. Physical Chemistry Chemical Physics 25 (3) , pp. 1977-1986. 10.1039/D2CP04024G

Bousser, Etienne, Rogov, Aleksey, Shashkov, Pavel, Gholinia, Ali, Laugel, Nicolas, Slater, Thomas J. A.

, Withers, Philip J., Matthews, Allan and Yerokhin, Aleksey 2023. Phase transitions in alumina films during post-sparking anodising of Al alloys. Acta Materialia 244 , 118587. 10.1016/j.actamat.2022.118587

Bramley, Gabriel Adrian, Beynon, Owain Tomos

, Stishenko, Pavel Viktorovich and Logsdail, Andrew James

2023. The application of QM/MM simulations in heterogeneous catalysis. Physical Chemistry Chemical Physics 25 (9) , pp. 6562-6585. 10.1039/d2cp04537k

Brehm, Joseph 2023. The development of a chemo-enzymatic one-pot cascade towards cyclohexane oxidation and biomass degradation via in-situ generated H2O2. PhD Thesis, Cardiff University.
Item availability restricted.

Bressan, Giovanni, Heisler, Ismael A., Greetham, Gregory M., Edmeades, Amy

and Meech, Stephen R. 2023. Half-broadband two-dimensional electronic spectroscopy with active noise reduction. Optics Express 31 (25) , pp. 42687-42700. 10.1364/OE.500017

Bryant, Mathew J., Fuertes, Sara, Hatcher, Lauren E.

, Thomas, Lynne H. and Raithby, Paul R. 2023. Structural modifications to platinum(ii) pincer complexes resulting in changes in their vapochromic and solvatochromic properties. Faraday Discussions 244 , pp. 411-433. 10.1039/d3fd00025g

Buurma, Niklaas J.

and Bagley, Scott W. 2023. A focus on computer vision for non-contact monitoring of catalyst degradation and product formation kinetics. Chemical Science 14 (40) , pp. 10994-10996. 10.1039/d3sc90145a

Cao, Jingxian, Lewis, Richard J., Qi, Guodong, Bethell, Donald, Howard, Mark J., Harrison, Brian, Yao, Bingqing, He, Qian, Morgan, David J.

, Ni, Fenglou, Sharma, Pankaj

, Kiely, Christopher J.

, Li, Xu, Deng, Feng, Xu, Jun and Hutchings, Graham J.

2023. Methane conversion to methanol using Au/ZSM-5 is promoted by carbon. ACS Catalysis 13 (11) , pp. 7199-7209. 10.1021/acscatal.3c01226

Cardella, Davide, Tsai, Yu-Hsuan

2023. Towards the use of an amino acid cleavable linker for solid-phase chemical synthesis of peptides and proteins. Organic and Biomolecular Chemistry 21 , pp. 966-969. 10.1039/d2ob02198f

Carpenter, Barry K.

2023. Prediction of kinetic product ratios: investigation of a dynamically controlled case. The Journal of Physical Chemistry A 127 , pp. 224-239. 10.1021/acs.jpca.2c08301

Carter, James H., Lewis, Richard J., Demetriou, Nikolas, Williams, Christopher, Davies, Thomas, Qin, Tian, Dummer, Nicholas F.

, Liu, Xi, Taylor, Stuart H.

2023. The selective oxidation of methane to methanol using in situ generated H 2 O 2 over palladium-based bimetallic catalysts †. Catalysis Science & Technology 10.1039/d3cy00116d

Cascone, Pasquale, Vuts, Jozsef, Birkett, Michael A., Dewhirst, Sarah, Rasmann, Sergio, Pickett, John A.

and Guerrieri, Emilio 2023. L-DOPA functions as a plant pheromone for belowground anti-herbivory communication. Ecology Letters 26 (3) , pp. 460-469. 10.1111/ele.14164

Cascone, Pasquale, Vuts, Jozsef, Birkett, Michael A., Rasmann, Sergio, Pickett, John A.

and Guerrieri, Emilio 2023. Small volatile lipophilic molecules induced belowground by aphid attack elicit a defensive response in neighbouring un-infested plants. Frontiers in Plant Science 14 10.3389/fpls.2023.1154587

Catlow, C. Richard A.

, Chutia, Arunabhiram and Quesne, Matthew G. 2023. Computational modelling in catalytic science. Physical Chemistry Chemical Physics 25 (31) , pp. 20775-20776. 10.1039/D3CP90127K

Catlow, C. Richard A.

2023. Crystal structure prediction: achievements and opportunities. IUCrJ 10 (2) , pp. 143-144. 10.1107/S2052252523001835

Catlow, C. Richard A.

, De Leeuw, Nora H.

, Michaelides, Angelos and Woodley, Scott M. 2023. Supercomputing modelling of advanced materials: preface. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2250) , 20220252. 10.1098/rsta.2022.0252

Catlow, Richard

2023. Catalysis Hub special collection: editorial. Royal Society Open Science 10 (5) , 230484. 10.1098/rsos.230484

Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit, Inceesungvorn, Burapat and Kaowphong, Sulawan 2023. Bismuth-rich oxyhalide (Bi7O9I3?Bi4O5Br2) solid-solution photocatalysts for the degradation of phenolic compounds under visible light. Journal of Colloid and Interface Science 641 , pp. 595-609. 10.1016/j.jcis.2023.03.063

Chaudhuri, Shayantan, Logsdail, Andrew J.

and Maurer, Reinhard J. 2023. Stability of single gold atoms on defective and doped diamond surfaces. Journal of Physical Chemistry C 127 (32) , pp. 16187-16203. 10.1021/acs.jpcc.3c03900

Costley‐Wood, Lucy G, Mohammed, Khaled, Carravetta, Marina, Decarolis, Donato, Goguet, Alexandre, Kordatos, Apostolos, Vakili, Reza, Manyar, Haresh, McPake, Erin, Skylaris, Chris‐Kriton, Thompson, Paul, Gibson, Emma K and Wells, Peter P. 2023. Towards the operational window for nitridic and carbidic palladium nanoparticles for directed catalysis. ChemCatChem 15 (21) , e202300870. 10.1002/cctc.202300870

Court-Wallace, Christopher, Davies, Philip

, Davies-Jones, Josh and Ososki, Genevieve 2023. PiFM and XPS Studies of Porous TiO2 Films for the Photocatalytic Decomposition of Polystyrene. Catalysts 13 (4) 10.3390/catal13040725

Cousin, Samuel François, Hughes, Colan E., Ziarelli, Fabio, Viel, Stéphane, Mollica, Giulia, Harris, Kenneth D. M.

, Pinon, Arthur C. and Thureau, Pierre 2023. Exploiting solid-state dynamic nuclear polarization NMR spectroscopy to establish the spatial distribution of polymorphic phases in a solid material. Chemical Science 14 , pp. 10121-10128. 10.1039/D3SC02063K

Craco, Luis and Leoni, Stefano

2023. Orbital-selective mixed-valent Mott/metal phase coexistence in NdNiO2 films. Physical Review Materials 7 (4) , 044802. 10.1103/PhysRevMaterials.7.044802

Craco, L. and Leoni, Stefano

2023. Normal-state correlated electronic structure of the tetragonal TlNi2Se2 superconductor. Physical Review B 108 (4) , 045140. 10.1103/PhysRevB.108.045140

Crawley, James 2023. The rational synthesis and catalytic testing of heterogeneous multimetallic nanoparticles for the hydrogenation of CO2. MPhil Thesis, Cardiff University.

Item availability restricted.

Cull, William J., Skowron, Stephen T., Hayter, Ruth, Stoppiello, Craig T., Rance, Graham A., Biskupek, Johannes, Kudrynskyi, Zakhar R., Kovalyuk, Zakhar D., Allen, Christopher S., Slater, Thomas J. A.

, Kaiser, Ute, Patanè, Amalia and Khlobystov, Andrei N. 2023. Subnanometer-Wide Indium Selenide Nanoribbons. ACS Nano 17 (6) , pp. 6062-6072. 10.1021/acsnano.3c00670

Daisley, Angela, Higham, Michael, Catlow, C. Richard A.

and Hargreaves, Justin S. J. 2023. Experimental and theoretical investigations on the anti-perovskite nitrides Co 3 CuN, Ni 3 CuN and Co 3 MoN for ammonia synthesis †. Faraday Discussions 243 , pp. 97-125. 10.1039/d2fd00151a

Daltoé, Renata Dalmaschio, Rangel, Leticia Batista Azevedo, Delarmelina, Maicon

, Madeira, Klesia Pirola, Porto, Marcella Leite, Meirelles, Silvana Santos, dos Santos Guimarães, Isabella, Filho, Éclair Venturini, Pereira, Alan Reinke, de Queiroz Ferreira, Rafael, dos Santos, Gabriel Fernandes Souza, de França Schaffel, Izabela, de Mesquita Carneiro, José Walkimar, Silva, Artur M. S. and Greco, Sandro José 2023. Synthetic naphthoquinone derivatives as anticancer agents in ovarian cancer: cytotoxicity assay and investigation of possible biological mechanisms action. Chemistry and Biodiversity 20 (2) , e202200807. 10.1002/cbdv.202200807

Damoyi, Nkululeko E., Friedrich, Holger B., Kruger, Gert H. and Willock, David J.

2023. A DFT study of the catalytic ODH of n-hexane over a cluster model of vanadium oxide. Molecular Catalysis 541 , 113078. 10.1016/j.mcat.2023.113078

Daniel, IsaacT., Kim, Bohyeon, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Cline, Joseph, Morgan, David J.

, Bethell, Donald, Kiely, Christopher J., McIntosh, Steven and Hutchings, Graham J.

2023. Electrochemical polarization of disparate catalytic sites drives thermochemical rate enhancement. ACS Catalysis 13 (21) , pp. 14189-14198. 10.1021/acscatal.3c03364

Dawson, William M., Shelley, Kathryn L., Fletcher, Jordan M., Scott, D. Arne, Lombardi, Lucia, Rhys, Guto G., LaGambina, Tania J., Obst, Ulrike, Burton, Antony J., Cross, Jessica A., Davies, George, Martin, Freddie J. O., Wiseman, Francis J., Brady, R. Leo, Tew, David, Wood, Christopher W. and Woolfson, Derek N. 2023. Differential sensing with arrays of de novo designed peptide assemblies. Nature Communications 14 , 383. 10.1038/s41467-023-36024-y

De Luca, Cristian, Zanetti, Davide, Battisti, Tommaso, Ferreira, Rúben R., Lopez, Sofia, McMillan, Alexander H., Lesher‐Pérez, Sasha Cai, Maggini, Laura and Bonifazi, Davide

2023. Photoreduction of anthracenes catalyzed by peri ‐xanthenoxanthene: a scalable and sustainable Birch‐type alternative. Chemistry - A European Journal 29 (63) , e202302129. 10.1002/chem.202302129

Dearg, Malcolm, Roncaglia, Cesare, Nelli, Diana, El Koraychy, El Yakout, Ferrando, Riccardo, Slater, Thomas J. A.

and Palmer, Richard E. 2023. Frame-by-frame observations of structure fluctuations in single mass-selected Au clusters using aberration-corrected electron microscopy. Nanoscale Horizons 10.1039/d3nh00291h

Decarolis, Donato and Odarchenko, Yaroslav 2023. Chapter 8: Advancements of synchrotron radiation techniques in catalysis. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 295-325. (10.1142/9781800612013_0008)

Delarmelina, Maicon

and Catlow, Richard

2023. Periodic density functional theory approaches for exploring metal oxides in catalysis. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Christopher, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 377-421. (10.1142/9781800612013_0010)

Delarmelina, Maicon

, Dlamini, Mbongiseni, Pattisson, Samuel, Davies, Philip Rosser

and Catlow, Charles

2023. The effect of dissolved chlorides on the photocatalytic degradation properties of titania in wastewater treatment. Physical Chemistry Chemical Physics 25 , pp. 4161-4176. 10.1039/D2CP03140J

Dempsey, Seán D., Ryan, Ailbhe A., Smyth, Megan, Moody, Thomas S., Wharry, Scott, Fahey, Karen, Beale, Andrew M., Mediavilla Madrigal, Sofia, Dingwall, Paul, Rooney, David W., Knipe, Peter C., Muldoon, Mark J. and Thompson, Jillian M. 2023. Continuous-flow transfer hydrogenation of benzonitrile using formate as a safe and sustainable source of hydrogen †. Reaction Chemistry and Engineering 10.1039/d3re00195d

Dettling, Lea, Limberg, Niklas, Küppers, Raphaela, Frost, Daniel, Weber, Manuela, Coles, Nathan T.

, Andrada, Diego M. and Müller, Christian 2023. Phosphorus derivatives of mesoionic carbenes: synthesis and characterization of triazaphosphole-5-ylidene → BF3 adducts. Chemical Communications 59 (68) , pp. 10243-10246. 10.1039/D3CC03268J

Douglas, EdwardJ. A., Marshall, Brandon, Alghamadi, Arwa, Joseph, Erin A., Duggan, Seána, Vittorio, Serena, De Luca, Laura, Serpi, Michaela

and Laabei, Maisem 2023. Improved antibacterial activity of 1,3,4-oxadiazole-based compounds that restrict Staphylococcus aureus growth independent of LtaS function. ACS Infectious Diseases 9 (11) , pp. 2141-2159. 10.1021/acsinfecdis.3c00250

Ducker, Charles, French, Stanley, Pathak, Monika, Taylor, Harry, Sainter, Adam, Askem, William, Dreveny, Ingrid, Santana, Antônio Euzébio Goulart, Pickett, John A.

and Oldham, Neil J. 2023. Characterisation of geranylgeranyl diphosphate synthase from the sandfly Lutzomyia longipalpis. Insect Biochemistry and Molecular Biology 161 , 104001. 10.1016/j.ibmb.2023.104001

Dummer, Nicholas F.

, He, Qian

, Howard, Mark J., Lewis, Richard J., Qi, Guodong, Taylor, Stuart H.

, Xu, Jun, Bethell, Don, Kiely, Christopher J.

2023. Methane oxidation to methanol. Chemical Reviews 9 , pp. 6359-6411. 10.1021/acs.chemrev.2c00439

Edwards, Peter P., Pyper, Nicholas C., Jie, Xiangyu, Slocombe, Daniel R.

, Islam, M. Saiful and Dobson, Peter J. 2023. Orbital-selective hole and hole-pair formation and Bose condensation in high-temperature superconductors. Journal of Solid State Chemistry 317 (Part A) , 123529. 10.1016/j.jssc.2022.123529

Elgar, Christopher, Otaif, Haleema, Beames, Joseph

, Horton, Peter, Coles, Simon, Hallett, Andrew, O'Kell, Sean and Pope, Simon J.

2023. Deep red emitting heteroleptic Ir(III) complexes that incorporate unsymmetrical 4-quinoline carboxylic acid derived ligands. European Journal of Inorganic Chemistry 26 (18) , e202300102. 10.1002/ejic.202300102

Elgehani, Albara 2023. Electrochemical generation and utilisation of Alkoxy Radicals. PhD Thesis, Cardiff University.
Item availability restricted.

ElGehani, Albara A. M. A., Maashi, Hussain A., Harnedy, James and Morrill, Louis C.

2023. Electrochemical generation and utilization of alkoxy radicals. Chemical Communications 59 (25) , pp. 3655-3664. 10.1039/d3cc00302g

Elliott, Mark

2023. Building skills in organic chemistry: Pi-Bonds and problem-solving. Independently published.

Emad, Noor, El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S. and Kariuki, Benson M.

2023. Synthesis, physical properties, and carbon dioxide uptake of new metal-sulfamethoxazole complexes. Results in Chemistry 6 , 101137. 10.1016/j.rechem.2023.101137

Emad, Noor, El-Hiti, Gamal A., Yousif, Emad, Ahmed, Dina S., Fadhil, Marwa and Kariuki, Benson M.

2023. New metal complexes containing a methyldopa Schiff base for carbon dioxide storage. Results in Chemistry 6 , 101099. 10.1016/j.rechem.2023.101099

Emad, Noor, El-Hiti, Gamal A., Yousif, Emad and Kariuki, Benson M.

2023. Metal oxide nanoparticles containing clotrimazole to suppress photodegradation of poly(vinyl chloride) thin films. Polymers 15 (7) , 1632. 10.3390/polym15071632

Evans, Christopher D., Bartley, Jonathan K.

and Kondrat, Simon A. 2023. Perovskite supported catalysts for the selective oxidation of glycerol to tartronic acid. Catalysis Letters 153 , pp. 2026-2035. 10.1007/s10562-022-04111-2

Fan, Xiang-Bing, Shin, Dong-Wook, Lee, Sanghyo, Ye, Junzhi, Yu, Shan, Morgan, David John

, Arbab, Adrees, Yang, Jiajie, Jo, Jeong-Wan, Kim, Yoonwoo, Jung, Sung-Min, Davies, Philip Rosser

, Rao, Akshay, Hou, Bo

and Kim, Jong Min 2023. InP/ZnS quantum dots photoluminescence modulation via in situ H2S interface engineering. Nanoscale Horizons 8 (4) , pp. 522-529. 10.1039/D2NH00436D

Feng, Yaoyao, Dechezelles, Jean-François, D'Acremont, Quentin, Courtade, Emmanuel, De Waele, Vincent, Pera-Titus, Marc

and Nardello-Rataj, Véronique 2023. Light-driven Pickering interfacial catalysis for the oxidation of alkenes at near-room temperature †. Green Chemistry 25 (4) , pp. 1417-1423. 10.1039/d2gc04591e

Fenn, Gareth D., Alenazy, Deemah M., Pope, Simon

, Lloyd-Evans, Emyr

and Waller-Evans, Helen

2023. Development of a novel anthraquinone-derived fluorescent lysosomal probe. Molecular Genetics and Metabolism 138 (2) , 107097. 10.1016/j.ymgme.2022.107097

Fernandez, Vincent, Morgan, David

, Bargiela, Pascal, Fairley, Neal and Baltrusaitis, Jonas 2023. Combining PCA and nonlinear fitting of peak models to re-evaluate C 1s XPS spectrum of cellulose. Applied Surface Science 614 , 156182. 10.1016/j.apsusc.2022.156182

Fioco, David

2023. Paramagnetic species in catalysis research: An EPR investigation into the photochemistry and reactivity of Cr(I) complexes. PhD Thesis, Cardiff University.
Item availability restricted.

Fitzgerald, Sophie A., Payce, Ellie N., Horton, Peter N., Coles, Simon J. and Pope, Simon J. A.

2023. 2-(Thienyl)quinoxaline derivatives and their application in Ir( iii ) complexes yielding tuneable deep red emitters †. Dalton Transactions 52 (44) , p. 16480. 10.1039/d3dt02193a

Fitzgerald, Sophie 2023. Tuning the photophysics of Ir(III) and Pt(II) complexes by synthetic modification of quinoxaline ligands. PhD Thesis, Cardiff University.

Item availability restricted.

Gao, L., Jiang, Z., Miletto, I., Gianotti, E., Rebmann, E., Baussaron, L., Jiang, F. and Pera Titus, M. 2023. Robust Pd/Al2O3 bifunctional catalyst for single reactor tandem synthesis of furan and tetrahydrofuran derivatives from furfural. Chemical Engineering Journal 473 , 145021. 10.1016/j.cej.2023.145021

Garcia-Millan, Teodoro, Ramos-Soriano, Javier, Ghirardello, Mattia, Liu, Xia, Santi, Cristina Manuela, Eloi, Jean-Charles, Pridmore, Natalie, Harniman, Robert L., Morgan, David J.

, Hughes, Stephen, Davis, Sean A., Oliver, Thomas A. A., Kurian, Kathreena M. and Galan, M. Carmen 2023. Multicolor photoluminescent carbon dots à la carte for biomedical applications. ACS Applied Materials and Interfaces 15 (38) , pp. 44711-44721. 10.1021/acsami.3c08200

Geer, Ana M., Kays, Deborah L.

and Taylor, Laurence J. 2023. Homogeneous carbon monoxide homologation. Pace, Vittorio, ed. Homologation Reactions: Reagents, Applications, and Mechanisms, Wiley, pp. 813-846. (10.1002/9783527830237.ch23)

Geer, Ana M., Navarro, Janeth, Alamán-Valtierra, Pablo, Coles, Nathan T.

, Kays, Deborah L.

and Tejel, Cristina 2023. Homotropic cooperativity in iron-catalyzed alkyne cyclotrimerizations. ACS Catalysis 13 (10) , 6610–6618. 10.1021/acscatal.3c00764

Gianolio, Diego, Higham, Michael D., Quesne, Matthew G., Aramini, Matteo, Xu, Ruoyu, Large, Alex I., Held, Georg, Velasco-Vélez, Juan-Jesús, Haevecker, Michael, Knop-Gericke, Axel, Genovese, Chiara, Ampelli, Claudio, Schuster, Manfred Erwin, Perathoner, Siglinda, Centi, Gabriele, Catlow, Richard

and Arrigo, Rosa 2023. Interfacial chemistry in the electrocatalytic hydrogenation of CO2 over C‑supported Cu-based systems. ACS Catalysis 13 (9) , pp. 5876-5895. 10.1021/acscatal.3c01288

Girgis, Adel S., Panda, Siva S., Kariuki, Benson M.

, Bekheit, Mohamed S., Barghash, Reham F. and Aboshouk, Dalia R. 2023. Indole-based compounds as potential drug candidates for SARS-CoV-2. Molecules 28 (18) , 6603. 10.3390/molecules28186603

Gkaliou, Kyriaki, Trakakis, George, Manikas, Anastasios, Davies, Philip R.

, Hall, Jeremy

, Galiotis, Costas and Eaton, Mark J.

2023. Understanding cure and interphase effects in functionalized graphene‐epoxy nanocomposites. Polymers for Advanced Technologies 34 (9) , pp. 2925-2935. 10.1002/pat.6114

González-Jiménez, Mario, Barnard, Trent, Russell, Ben A., Tukachev, Nikita V., Javornik, Uroš, Hayes, Laure-Anne, Farrell, Andrew J., Guinane, Sarah, Senn, Hans M., Smith, Andrew J., Wilding, Martin, Mali, Gregor, Nakano, Motohiro, Miyazaki, Yuji, McMillan, Paul, Sosso, Gabriele C. and Wynne, Klaas 2023. Understanding the emergence of the boson peak in molecular glasses. Nature Communications 14 (1) , 215. 10.1038/s41467-023-35878-6

González-Jiménez, Mario, Barnard, Trent, Russell, Ben A., Tukachev, Nikita V., Javornik, Uros, Hayes, Laure-Anne, Farrell, Andrew J., Guinane, Sarah, Senn, Hans M., Smith, Andrew J., Wilding, Martin, Mali, Gregor, Nakano, Motohiro, Miyazaki, Yuji, McMillan, Paul, Sosso, Gabriele C. and Wynne, Klaas 2023. Author correction: Understanding the emergence of the boson peak in molecular glasses. Nature Communications 14 (1) , 884. 10.1038/s41467-023-36662-2

Gow, Isla 2023. New trimetallic nanoparticles as catalysts for the conversion of carbon dioxide to renewable fuels. PhD Thesis, Cardiff University.
Item availability restricted.

Green, Christopher, Bilyanska, Antoaneta, Bradley, Mags, Dinsdale, Jason, Hutt, Lorraine, Backhaus, Thomas, Boons, Frank, Bott, David, Collins, Chris, Cornell, Sarah E., Craig, Mark, Depledge, Michael, Diderich, Bob, Fuller, Richard, Galloway, Tamara S., Hutchison, Gary R., Ingrey, Nicola, Johnson, Andrew C., Kupka, Rachael, Matthiessen, Peter, Oliver, Robin, Owen, Stewart, Owens, Susan, Pickett, John

, Robinson, Sam, Sims, Kerry, Smith, Pete, Sumpter, John P., Tretsiakova?McNally, Svetlana, Wang, Mengjiao, Welton, Tom, Willis, Katherine J. and Lynch, Iseult 2023. A horizon scan to support chemical pollution-related policymaking for sustainable and climate-resilient economies. Environmental Toxicology and Chemistry 42 (6) , pp. 1212-1228. 10.1002/etc.5620

Guadix-Montero, Susana, Sainna, Mala A., Jin, Jiangpeiyun, Reynolds, Jack, Forsythe, W. Graham, Sheldrake, Gary N., Willock, David

2023. Ruthenium ion catalysed C–C bond activation in lignin model compounds – towards lignin depolymerisation. Catalysis Science & Technology 13 , pp. 5912-5923. 10.1039/d3cy00076a

Guan, Jingcheng, Lu, You, Sen, Kakali, Abdul Nasir, Jamal, Desmoutier, Alec W., Hou, Qing, Zhang, Xingfan, Logsdail, Andrew J.

, Dutta, Gargi, Beale, Andrew M., Strange, Richard W., Yong, Chin, Sherwood, Paul, Senn, Hans M., Catlow, C. richard A.

, Keal, Thomas W. and Sokol, Alexey A. 2023. Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2250) , 20220234. 10.1098/rsta.2022.0234

Gupta, Priyanka, Drexler, Hans-Joachim, Wingad, Richard, Wass, Duncan

, Baráth, Eszter, Beweries, Torsten and Hering-Junghans, Christian 2023. P,N-type phosphaalkene-based Ir(i) complexes: synthesis, coordination chemistry, and catalytic applications. Inorganic Chemistry Frontiers 10 (8) , pp. 2285-2293. 10.1039/D3QI00142C

Gurr, Geoff M., Liu, Jian, Pickett, John A.

and Stevenson, Philip C. 2023. Review of the chemical ecology of homoterpenes in arthropod-plant interactions. Austral Entomology 10.1111/aen.12629

Gutiérrez López, M. Ángeles, Ali, Rojan, Tan, Mei-Ling, Sakai, Naomi, Wirth, Thomas

and Matile, Stefan 2023. Electric field–assisted anion-π catalysis on carbon nanotubes in electrochemical microfluidic devices. Science Advances 9 (41) , eadj5502. 10.1126/sciadv.adj5502

Han, Feiyu, Zhang, Dongsheng, Salli, Sofia, Ye, Jiani, Li, Yongwang, Rosei, Federico, Wen, Xiao-Dong, Niemantsverdriet, Hans, Richards, Emma

and Su, Ren 2023. Copper cocatalyst modulated radical generation for selective heterogeneous photosynthesis of α‑haloketones. ACS Catalysis 13 (1) , pp. 248-255. 10.1021/acscatal.2c05189

Harnedy, James 2023. Synthetic organic electrochemistry to develop new transformations involving radical intermediates. PhD Thesis, Cardiff University.
Item availability restricted.

Harnedy, James, Maashi, Hussain A., El Gehani, Albara A. M. A., Burns, Matthew and Morrill, Louis C.

2023. Deconstructive functionalization of unstrained cycloalkanols via electrochemically generated aromatic radical cations. Organic Letters 25 (9) , pp. 1486-1490. 10.1021/acs.orglett.3c00219

Hashem, Heba E., Amr, Abd El-Galil E., Almehizia, Abdulrahman A., Naglah, Ahmed M., Kariuki, Benson M.

, Eassa, Heba A. and Nossier, Eman S. 2023. Nanoparticles of a pyrazolo-pyridazine derivative as potential EGFR and CDK-2 inhibitors: design, structure determination, anticancer evaluation and in silico studies. Molecules 28 (21) , 7252. 10.3390/molecules28217252

Hawkins, Ben 2023. The study of catalytic removal of acetaldehyde from reprocessed pet: from catalyst design to kinetics. PhD Thesis, Cardiff University.
Item availability restricted.

Hayes, Heather C. and Luk, Louis Y. P.

2023. Investigating the effects of cyclic topology on the performance of a plastic degrading enzyme for polyethylene terephthalate degradation. Scientific Reports 13 , 1267. 10.1038/s41598-023-27780-4

Hayward, James, Esquius, Jonathan Ruiz, Richards, Nia, Jones, Wilm, Hewes, Daniel and Bowker, Michael

2023. Delaminated hydrotalcite precursors for green methanol synthesis. Catalysis Communications 179 , 106694. 10.1016/j.catcom.2023.106694

Hess, Kai-Uwe, Schawe, Jürgen E. K., Wilding, Martin, Purgstaller, Bettina, Goetschl, Katja E., Sturm, Sebastian, Müller-Caspary, Knut, Sturm, Elena V., Schmahl, Wolfgang, Griesshaber, Erika, Bissbort, Thilo, Weidendorfer, Daniel, Dietzel, Martin and Dingwell, Donald B. 2023. Glass transition temperatures and crystallization kinetics of a synthetic, anhydrous, amorphous calcium-magnesium carbonate. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2258) , 20220356. 10.1098/rsta.2022.0356

Hewes, Daniel 2023. Electron microscopy studies of novel catalysts based on amorphous materials. PhD Thesis, Cardiff University.
Item availability restricted.

Higham, Michael D., Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, C. Richard A.

2023. Mechanism of ammonia synthesis on Fe 3 Mo 3 N †. Faraday Discussions 243 , pp. 77-96. 10.1039/d2fd00148a

Hu, Hang, Ramzan, Muhammad Akif, Wischert, Raphael, Jerôme, François, Michel, Carine, de Oliveira Vigier, Karine and Pera-Titus, Marc 2023. Unraveling the role of H 2 and NH 3 in the amination of isohexides over a Ru/C catalyst. ACS Sustainable Chemistry and Engineering 11 (22) , pp. 8229-8241. 10.1021/acssuschemeng.2c07501

Hunter, Robert D., Hayward, Emily C., Smales, Glen J., Pauw, Brian R., Kulak, A., Guan, Shaoliang and Schnepp, Zoe 2023. The effect of nitrogen on the synthesis of porous carbons by iron-catalyzed graphitization †. Materials Advances 4 (9) , pp. 2070-2077. 10.1039/d3ma00039g

Hutchings, Graham

, Davidson, Matthew, Catlow, Richard

, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris 2023. Back Matter. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis, London, UK: World Scientific Publishing Europe Ltd., 595 - 607. (10.1142/9781800612013_bmatter)

Hutchings, Graham

, Davidson, Matthew, Catlow, Richard

, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris 2023. Front Matter. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis, Vol. 2. London, UK: World Scientific Publishing Europe Ltd, i–xxxi. (10.1142/9781800612013_fmatter)

Isaacs, Mark A., Drivas, Charalampos, Lee, Roxy, Palgrave, Robert, Parlett, Christopher M.A. and Morgan, David J.

2023. XPS surface analysis of ceria-based materials: Experimental methods and considerations. Applied Surface Science Advances 18 , 100469. 10.1016/j.apsadv.2023.100469

Jepson, Harry 2023. Metal-organic framework catalysis in the upgrading of ethanol for advanced biofuels. PhD Thesis, Cardiff University.

Item availability restricted.

Jiang, Fan, Yan, Zhen, Chen, Xuan, Li, Xinlei, Streiff, Stéphane and Pera Titus, M. 2023. Liquid-phase permethylation of diethylenetriamine using methanol over robust composite copper catalysts. Catalysis Science & Technology 13 (1) , pp. 187-194. 10.1039/D2CY01454H

Jones, Kennedy R. 2023. Designing bifunctional heterogeneous catalysts for the upgrading of bioderived alcohols. PhD Thesis, Cardiff University.
Item availability restricted.

Kabalan, Lara, Kowalec, Igor, Rigamonti, Santiago, Troppenz, Maria, Draxl, Claudia, Catlow, C Richard

and Logsdail, Andrew J

2023. Investigation of the Pd (1− x ) Zn x alloy phase diagram using ab initio modelling approaches. Journal of Physics: Condensed Matter 35 (40) , 405402. 10.1088/1361-648x/ace01a

Kariuki, Benson M.

, Mohamed, Hanan A., Abdel-Wahab, Bakr F. and El-Hiti, Gamal A. 2023. 4-((5-(1-(4-Fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-1,3,4-thiadiazol-2-yl)amino)benzenesulfonic acid: unexpected synthesis, structure elucidation and antimicrobial activity. Phosphorus, Sulfur, and Silicon and the Related Elements 198 (1) , pp. 10-14. 10.1080/10426507.2022.2099858

Khan, Md. Nasim, van Ingen, Yara, Boruah, Tribani, McLauchlan, Adam, Wirth, Thomas

2023. Advances in CO2 activation by frustrated Lewis pairs: from stoichiometric to catalytic reactions. Chemical Science 14 (47) , pp. 13661-13695. 10.1039/d3sc03907b

Knighton, Richard C., Beames, Joseph M. and Pope, Simon J. A.

2023. Polycationic Ru(II) luminophores: syntheses, photophysics, and application in electrostatically driven sensitization of lanthanide luminescence. Inorganic Chemistry 62 (48) , pp. 19446-19456. 10.1021/acs.inorgchem.3c02352

Konadu, Destiny, Kwawu, Caroline R., Menkah, Elliot S., Tia, Richard, Adei, Evans and de Leeuw, Nora

2023. The catalytic hydrogenolysis of compounds derived from guaiacol on the Cu (111) surface: mechanisms from DFT studies. Physical Chemistry Chemical Physics 25 (8) , pp. 6247-6252. 10.1039/D2CP04352A

Kovačič, Dávid, Lewis, Richard J., Crombie, Caitlin M., Morgan, David J.

, Davies, Thomas E., López-Martín, Ángeles, Qin, Tian, Allen, Christopher S., Edwards, Jennifer. K.

, Chen, Liwei, Skjøth-Rasmussen, Martin Skov, Liu, Xi and Hutchings, Graham J.

2023. A comparative study of palladium-gold and palladium-tin catalysts in the direct synthesis of H2O2. Green Chemistry 25 (24) , pp. 10436-10446. 10.1039/d3gc03706a

Kowalec, Igor 2023. Surfaces of Pd-based alloys as catalysts for CO2 activation and hydrogenation to methanol. PhD Thesis, Cardiff University.

Item availability restricted.

La Manna, Sara, Roviello, Valentina, Monaco, Vittoria, Platts, James A.

, Monti, Maria, Gabano, Elisabetta, Ravera, Mauro and Marasco, Daniela 2023. The inhibitory effects of platinum( ii ) complexes on amyloid aggregation: a theoretical and experimental approach. Dalton Transactions 52 , pp. 12677-12685. 10.1039/d3dt02187d

Lahiri, Abhishek, Guan, Shaoliang and Chutia, Arunabhiram 2023. Modulating aluminum solvation with ionic liquids for improved aqueous-based aluminum-ion batteries. ACS Applied Energy Materials 6 (23) , pp. 11874-11881. 10.1021/acsaem.3c01745

Lander, Alexander J., Mercado, Laura Domínguez, Li, Xuefei, Taily, Irshad Maajid, Findlay, Brandon L., Jin, Yi

2023. Roles of inter- and intramolecular tryptophan interactions in membrane-active proteins revealed by racemic protein crystallography. Communications Chemistry 6 (1) , 154. 10.1038/s42004-023-00953-y

Lawes, Naomi 2023. Pd-based alloys as catalysts for the conversion of carbon dioxide to renewable fuels. PhD Thesis, Cardiff University.
Item availability restricted.

Lazaridou, Anna 2023. Acetylene hydrochlorination using Au supported on activated carbon catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Lazaridou, Anna, Smith, Louise R., Pattisson, Samuel, Dummer, Nicholas F.

, Smit, Joost J., Johnston, Peter and Hutchings, Graham J.

2023. Recognizing the best catalyst for a reaction. Nature Reviews Chemistry 10.1038/s41570-023-00470-5

Leiszner, Sofie Stampe, Chakarawet, Khetpakorn, Long, Jeffrey R., Nishibori, Eiji, Sugimoto, Kunihisa, Platts, James A.

and Overgaard, Jacob 2023. Electron density analysis of metal-metal bonding in a Ni4 cluster featuring ferromagnetic exchange. Inorganic Chemistry 62 (1) , pp. 192-200. 10.1021/acs.inorgchem.2c03170

Lewis, Richard J., Ueura, Kenji, Liu, Xi, Fukuta, Yukimasa, Qin, Tian, Davies, Thomas, Morgan, David J.

, Stenner, Alex, Singleton, James, Edwards, Jennifer K.

, Freakley, Simon J., Kiely, Christopher J.

, Chen, Liwei, Yamamoto, Yasushi and Hutchings, Graham J.

2023. Selective Ammoximation of Ketones via In Situ H2O2 Synthesis. ACS Catalysis 13 , pp. 1934-1945. 10.1021/acscatal.2c05799

Li, Wenbo, Girt, Georgina C., Radadiya, Ashish

, Stewart, James J. P., Richards, Nigel G. J.

and Naismith, James H. 2023. Experimental and computational snapshots of C-C bond formation in a C-nucleoside synthase. Open Biology 13 (1) , 220287. 10.1098/rsob.220287

Li, Xin, Rui, Peng, Ye, Tongqi, Yao, Xin, Zhou, Rulong, Li, Dongdong, Wang, Sheng, Carter, James H. and Hutchings, Graham J.

2023. Hydrogenolysis of 5-hydroxymethylfurfural by in situ produced hydrogen from water on an iron catalyst. Catalysis Science & Technology 13 (11) , pp. 3366-3374. 10.1039/D3CY00027C

Liang, Yu, Douthwaite, Mark, Huang, Xiaoyang, Zhao, Binbin, Tang, Qiong, Liu, Lei and Dong, Jinxiang 2023. Zero-oxidation state precursor assisted fabrication of highly dispersed and stable Pt catalyst for chemoselective hydrogenation of α,β--unsaturated aldehydes. Nano Research 16 , pp. 6085-6093. 10.1007/s12274-022-4822-4

Lin, Jinxiong, Coles, Nathan T.

, Weber, Manuela and Müller, Christian 2023. Phosphinine selenide: noncovalent interactions with organoiodines and elemental iodine, and reactivity towards potassium cyanide. ChemPlusChem 88 (4) , e202300088. 10.1002/cplu.202300088

Lin, Jinxiong, Frost, Daniel S., Coles, Nathan T.

, Weber, Manuela and Müller, Christian 2023. Copper(I) and gold(I) complexes of aminofunctionalized phosphinines: synthesis and structural characterization. Zeitschrift für anorganische und allgemeine Chemie 649 (6-7) , e202200365. 10.1002/zaac.202200365

Lin, Runjia, Kang, Liqun, Lisowska, Karolina, He, Weiying, Zhao, Siyu, Hayama, Shusaku, Hutchings, Graham J.

, Brett, Dan J. L., Corà, Furio, Parkin, Ivan P. and He, Guanjie 2023. Approaching theoretical performances of electrocatalytic hydrogen peroxide generation by cobalt‐nitrogen moieties. Angewandte Chemie International Edition 62 (21) , e202301433. 10.1002/anie.202301433

Liu, Han‐Ying, Neale, Samuel E., Hill, Michael S., Mahon, Mary F., McMullin, Claire L. and Richards, Emma

2023. Reduction of Na+ within a {Mg2Na2} assembly. Angewandte Chemie International Edition 62 (3) , e202213670. 10.1002/anie.202213670

Lombard, C. J., van Sittert, C. G. C. E., Mugo, J. N., Perry, C. and Willock, David

2023. Computational investigation of α-SiO 2 surfaces as a support for Pd †. Physical Chemistry Chemical Physics 10.1039/d2cp04722e

Lu, You, Sen, Kakali, Yong, Chin, Gunn, David S. D., Purton, John A., Guan, Jingcheng, Desmoutier, Alec, Abdul Nasir, Jamal, Zhang, Xingfan, Zhu, Lei, Hou, Qing, Jackson-Masters, Joe, Watts, Sam, Hanson, Rowan, Thomas, Harry N., Jayawardena, Omal, Logsdail, Andrew J.

, Woodley, Scott M., Senn, Hans M., Sherwood, Paul, Catlow, Richard

, Sokol, Alexey A. and Keal, Thomas W. 2023. Multiscale QM/MM modelling of catalytic systems with ChemShell †. Physical Chemistry Chemical Physics 10.1039/d3cp00648d

Ma, Muge 2023. Investigations of protein ligase for biochemical modification. PhD Thesis, Cardiff University.
Item availability restricted.

Ma, Muge, Tang, Simon T.M., Dickerson, Matthew T. and Luk, Louis Y.P.

2023. Preparing recombinant “Split AEP” for protein labeling. Lloyd, Matthew, ed. Methods in Enzymology, Vol. 690. Methods in Enzymology, Elsevier, pp. 501-540. (10.1016/bs.mie.2023.07.004)

MacAulay, Scott, Masud, Numair, Davies-Jones, Josh, Ward, Benjamin D.

and Cable, Jo

2023. The impacts of synthetic and cellulose-based fibres and their associated dyes on fish hosts and parasite health. Environmental Science and Pollution Research 10.1007/s11356-023-30794-0

Magri, Giuseppina 2023. Development of a dual-mode microwave-EPR cavity for studies of paramagnetic systems. PhD Thesis, Cardiff University.
Item availability restricted.

Magri, Giuseppina, Barter, Michael

, Fletcher-Charles, Jack, Choi, Heungjae

2023. An in-situ study of the thermal decomposition of 2,2'-azobis(2-methylpropionitrile) radical chemistry using a dual-mode EPR resonator. Research on Chemical Intermediates 49 , pp. 289-305. 10.1007/s11164-022-04861-z

Major, George H., Pinder, Joshua W., Austin, Daniel E., Baer, Donald R., Castle, Steven L., Cechal, Jan, Clark, B. Maxwell, Cohen, Hagai, Counsell, Jonathan, Herrera-Gomez, Alberto, Govindan, Pavitra, Kim, Seong H., Morgan, David J.

, Opila, Robert L., Powell, Cedric J., Průša, Stanislav, Roberts, Adam, Rocca, Mario, Shirahata, Naoto, Šikola, Tomás, Smith, Emily F., So, Regina C., Stovall, John E., Strunk, Jennifer, Teplyakov, Andrew, Terry, Jeff, Weber, Stephen G. and Linford, Matthew R. 2023. Perspective on improving the quality of surface and material data analysis in the scientific literature with a focus on x-ray photoelectron spectroscopy (XPS). Journal of Vacuum Science and Technology A 41 (3) , 038501. 10.1116/6.0002437

Maliutina, Kristina Mikhailovna, Omoriyekomwan, Joy Esohe, He, Chuanxin, Fan, Liangdong and Folli, Andrea

2023. Biomass-derived carbon nanostructures and their applications as electrocatalysts for hydrogen evolution and oxygen reduction/evolution. Frontiers in Environmental Engineering 2 , 1228992. 10.3389/fenve.2023.1228992

Mandal, Soumen

, Arts, Karsten, Morgan, David J.

, Chen, Zhuohui and Williams, Oliver A.

2023. Zeta potential and nanodiamond self assembly assisted diamond growth on lithium niobate and lithium tantalate single crystal. Carbon 212 , 118160. 10.1016/j.carbon.2023.118160

Marsden, Alexander J., Skilbeck, Mark, Healey, Matthew, Thomas, Helen R., Walker, Marc, Edwards, Rachel S., Garcia, Natalya A., Vukovic, Filip, Jabraoui, Hicham, Walsh, Tiffany R., Rourke, Jonathan P.

and Wilson, Neil R. 2023. From graphene to graphene oxide: the importance of extended topological defects. Physical Chemistry Chemical Physics 24 (4) , pp. 2318-2331. 10.1039/D1CP04316A

Matam, Santhosh K., O'Malley, Alexander J., Silverwood, Ian and Catlow, Richard

2023. Dynamics and reactivity of methanol in zeolite H-ZSM-5. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 219-254. (10.1142/9781800612013_0006)

Matam, Santhosh K., Silverwood, Ian P., Boudjema, Lotfi, O'Malley, Alexander J. and Catlow, C. Richard A.

2023. Methanol diffusion and dynamics in zeolite H-ZSM-5 probed by quasi-elastic neutron scattering and classical molecular dynamics simulations. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2259) , 20220335. 10.1098/rsta.2022.0335

Matuszewska, Oliwia, Battisti, Tommaso, Ferreira, Ruben R., Biot, Nicolas, Demitri, Nicola, Mézière, Cécile, Allain, Magali, Sallé, Marc, Mañas‐Valero, Samuel, Coronado, Eugenio, Fresta, Elisa, Costa, Rubén D. and Bonifazi, Davide

2023. Tweaking the optoelectronic properties of s‐doped polycyclic aromatic hydrocarbons by chemical oxidation. Chemistry - A European Journal , e202203115. 10.1002/chem.202203115

Mayer, Alexander J., Beynon, Owain T.

, Logsdail, Andrew J.

, Wijayantha, K. G. Upul, Dann, Sandra E., Marco, José F., Elliott, Joshua D., Aramini, Matteo, Cibin, Giannantonio and Kondrat, Simon A. 2023. Direct monitoring of the potassium charge carrier in Prussian blue cathodes using potassium K-edge X-ray absorption spectroscopy †. Journal of Materials Chemistry A: materials for energy and sustainability 11 , pp. 19900-19913. 10.1039/d3ta02631k

Melen, Rebecca L.

and Pramanik, Milan 2023. Activation of Diazo Compounds by Fluorinated Triarylborane Catalysts. Synthesis: Journal of Synthetic Organic Chemistry 10.1055/a-2118-3046

Mensah, Mary, Tia, Richard, Adei, Evans and de Leeuw, Nora H.

2023. C-H versus C-O Addition: A DFT study of the catalytic cleavage of the β-O-4 ether linkage in lignin by iridium and cobalt pincer complexes. Catalysts 13 (4) , 757. 10.3390/catal13040757

Minova, Ivalina B., Matam, Santhosh K., Frogley, Mark D., Cinque, Gianfelice, Catlow, Richard

, Wright, Paul A. and Howe, Russell F. 2023. Chapter 11: Insights into methanol-to-hydrocarbon catalysis over ZSM-5 and SAPO-34 from operando synchrotron infrared microspectroscopy. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 423-460. (10.1142/9781800612013_0011)

Mohamed-Ezzat, Reham A., Kariuki, Benson M.

and Elgemeie, Galal H. 2023. Unexpected products of the reaction of cyanoacetylhydrazones of aryl/heteryl ketones with hydrazine: a new route to aryl/heteryl hydrazones, x-ray structure, and in vitro anti-proliferative activity against nci 60-cell line panel. Egyptian Journal of Chemistry 66 (13) , pp. 225-239. 10.21608/ejchem.2023.197330.7682

Mohamed-Ezzat, Reham A., Kariuki, Benson M.

and Srour, Aladdin M. 2023. Synthesis, crystal structure and in vitro anti-proliferative activity of 2-[(4-acetylphenyl)carbamoyl]phenyl acetate. Acta Crystallographica Section E: Crystallographic Communications 79 (11) , pp. 999-1002. 10.1107/S2056989023008526

Mohamed-Ezzat, Reham A., Kariuki, Benson M.

and Azzam, Rasha A. 2023. Synthesis and crystal structure of N-(5-acetyl-4-methylpyrimidin-2-yl)benzenesulfonamide. Acta Crystallographica Section E: Crystallographic Communications 79 (4) , pp. 331-334. 10.1107/S2056989023001871

Mohan, Talla V.R., Nallagangula, Madhu, Kala, Krishnan, Hernandez-Tamargo, Carlos E., De Leeuw, Nora H.

, Namitharan, Kayambu, Bhat, Venugopal T., Sasidharan, Manickam and Selvam, Parasuraman 2023. Pyridinic-nitrogen on ordered mesoporous carbon: A versatile NAD(P)H mimic for borrowing-hydrogen reactions. Journal of Catalysis 419 , pp. 80-98. 10.1016/j.jcat.2023.02.005

Mondal, Prasenjit, Singh, Pritam, Morgan, David

, Bose, Adity and Sen, Kamalika 2023. Ni-sinapic acid nanocomposite in the selective sensing of permanganate ions. Journal of Photochemistry and Photobiology A: Chemistry 437 , 114458. 10.1016/j.jphotochem.2022.114458

Morgan, David J.

2023. A sample holder for the X‐ray photoelectron spectroscopy analysis of multiple mini‐traction machine ball samples. Surface and Interface Analysis 10.1002/sia.7214

Morgan, David J.

2023. XPS insights: Asymmetric peak shapes in XPS. Surface and Interface Analysis 10.1002/sia.7215

Morgan, David J.

2023. XPS insights: Sample degradation in X-ray photoelectron spectroscopy. Surface and Interface Analysis 55 (5) , pp. 331-335. 10.1002/sia.7205

Morgan, David J.

2023. XPS analysis of electrically insulating catalytic materials. Zafeiratos, Spyridon, ed. Applications of X-ray Photoelectron Spectroscopy to Catalytic Studies: From Routine Analysis to Cutting-Edge Surface Characterization, Catalytic Science Series: Volume 21, World Scientific, pp. 97-120. (10.1142/9781800613294_0005)

Morgan, David J.

2023. Photoelectron spectroscopy of ceria: Reduction, quantification and the myth of the vacancy peak in XPS analysis. Surface and Interface Analysis 55 (11) , pp. 845-850. 10.1002/sia.7254

Morgan, David J.

2023. Core-level spectra of metallic lanthanides: Dysprosium (Dy). Surface Science Spectra 30 (2) , 024017. 10.1116/6.0002917

Morgan, David J.

and Uthayasekaran, Sharukaa 2023. Revisiting degradation in the XPS analysis of polymers. Surface and Interface Analysis 55 (6-7) , pp. 556-563. 10.1002/sia.7151

Morris, Joshua J., Nevin, Adam, Cornelio, Joel and Easun, Timothy L.

2023. Characterization of an unanticipated indium-sulfur metallocycle complex. Royal Society Open Science 10 (9) , 230060. 10.1098/rsos.230060

Morteo‐Flores, Fabian, Quayle, Max, Salom-Catala, Antoni, Pera Titus, Marc and Roldan Martinez, Alberto

2023. First‐principles microkinetic study of the catalytic hydrodeoxygenation of guaiacol on transition metal surfaces. ChemCatChem 15 (24) , e202300671. 10.1002/cctc.202300671

Mousa, Ibtisam 2023. Applications of rare earth complexes in the ring-opening copolymerisation of epoxides and anhydrides. PhD Thesis, Cardiff University.
Item availability restricted.

Murtaza, Ayesha, Ulhaq, Zia, Shirinfar, Bahareh, Rani, Sadia, Aslam, Samina, Martins, Guilherme M. and Ahmed, Nisar

2023. Arenes and heteroarenes C-H functionalization under enabling conditions: electrochemistry, photoelectrochemistry & flow technology. Chemical Record 23 (10) , e202300119. 10.1002/tcr.202300119

Musa, Arafa, Ihmaid, Saleh K., Hughes, David L., Said, Musa A., Abulkhair, Hamada S., El-Ghorab, Ahmed H., Abdelgawad, Mohamed A., Shalaby, Khaled, Shaker, Mohamed E., Alharbi, Khalid Saad, Alotaibi, Nasser Hadal, Kays, Deborah L.

, Taylor, Laurence J., Parambi, Della Grace Thomas, Alzarea, Sami I., Al-Karmalawy, Ahmed A., Ahmed, Hany E. A. and El-Agrody, Ahmed M. 2023. The anticancer and EGFR-TK/CDK-9 dual inhibitory potentials of new synthetic pyranopyrazole and pyrazolone derivatives: X-ray crystallography, in vitro, and in silico mechanistic investigations. Journal of Biomolecular Structure and Dynamics 41 (21) , pp. 12411-12425. 10.1080/07391102.2023.2167000

Nasr, Tamer, Kariuki, Benson M.

, Elansary, Mai M., Elhaggar, Radwan and Zaghary, Wafaa 2023. Synthesis and crystal structures of (E)-N′-(4-chloro-3-nitrobenzylidene)acetohydrazide and (E)-2-(4-chlorobenzylidene)-1-(quinolin-8-yl)hydrazine. Acta Crystallographica Section E: Crystallographic Communications 79 (8) , pp. 762-766. 10.1107/S2056989023006412

Nguyen, Manh B., Lan, Pham Thi, Anh, Nguyen Tuan, Tung, Nguyen Ngoc, Guan, Shaoliang, Ting, Valeska P., Nguyen, T.-Thanh-Bao, Doan, Huan V., Tung, Mai Thanh and Lam, Tran Dai 2023. Ternary heterogeneous Z-scheme photocatalyst TiO 2 /CuInS 2 /OCN incorporated with carbon quantum dots (CQDs) for enhanced photocatalytic degradation efficiency of reactive yellow 145 dye in water †. RSC Advances 13 (50) , pp. 35339-35348. 10.1039/d3ra07546j

Ni, Fenglou, Richards, Thomas, Smith, Louise, Morgan, David

, Davies, Thomas, Lewis, Richard J. and Hutchings, Graham J.

2023. Selective oxidation of methane to methanol via in situ H2O2 synthesis. ACS Organic & Inorganic Au 3 (4) , pp. 177-183. 10.1021/acsorginorgau.3c00001

Noreen, Sobia, Ehsan, Shazma, Ghumman, Shazia Akram, Hasan, Sara, Batool, Fozia, Ijaz, Bushra, Shirinfar, Bahareh, Alsader, Khadeeja Ali Mohammed and Ahmed, Nisar

2023. Polymeric complex nanocarriers of Mangifera indica gum & chitosan for methotrexate delivery: Formulation, characterization, and in vitro toxicological assessment. Journal of Drug Delivery Science and Technology 88 , 105001. 10.1016/j.jddst.2023.105001

Noureen, Shazia, Noreen, Sobia, Ghumman, Shazia Akram, Abdelrahman, Ehab A., Batool, Fozia, Aslam, Afeefa, Mehdi, Muhammad, Shirinfar, Bahareh and Ahmed, Nisar

2023. A novel pH-responsive hydrogel system based on Prunus armeniaca gum and acrylic acid: Preparation and evaluation as a potential candidate for controlled drug delivery. European Journal of Pharmaceutical Sciences 189 , 106555. 10.1016/j.ejps.2023.106555

Otaif, Haleema 2023. Time resolved spectroscopy of 21st century materials. PhD Thesis, Cardiff University.
Item availability restricted.

Ou, Yucheng, Zhai, Liangyu, Zhu, Gangqiang, Zhang, Weibin, Huang, Xiaoyang, Akdim, Ouardia, Zhu, Lujun, Nie, Junli, Rao, Fei, Huang, Yu, Shi, Xianjin, Gao, Jianzhi, Lu, Hongbin and Hojamberdiev, Mirabbos 2023. Achieving molecular-level selective detection of volatile organic compounds through a strong coupling effect of ultrathin nanosheets and Au nanoparticles. ACS Sensors 9 (1) , 139–148. 10.1021/acssensors.3c01777

Ou, Xiaoxia, Dlamini, Mbongiseni W., Tomatis, Marco, Davies, Philip R.

and Hardacre, Christopher 2023. Catalytic treatment of high ionic strength wastewater from shale gas production. Modern Developments in Catalysis, Vol. 2. World Scientific Publishing Europe Ltd., pp. 1-52. (10.1142/9781800612013_0001)

Ouya, Fredrick O., Murage, Alice W., Pittchar, Jimmy O., Chidawanyika, Frank, Pickett, John A.

and Khan, Zeyaur R. 2023. Impacts of climate-resilient push–pull technology on farmers’ income in selected counties in Kenya and Tanzania: propensity score matching approach. Agriculture and Food Security 12 (1) , 15. 10.1186/s40066-023-00418-4

Pahar, Sanjukta, Górecka, Aleksandra, Richards, Emma

2023. Flourishing reactivities of isocyanates and isothiocyanates using group 13 elements. Cell Reports Physical Science 4 (12) , 101745. 10.1016/j.xcrp.2023.101745

Pandit, Bidhan, Rondiya, Sachin R., Shaikh, Shoyebmohamad F., Ubaidullah, Mohd, Amaral, Ricardo, Dzade, Nelson Y.

, Goda, Emad S., ul Hassan Sarwar Rana, Abu, Singh Gill, Harjot and Ahmad, Tokeer 2023. Regulated electrochemical performance of manganese oxide cathode for potassium-ion batteries: A combined experimental and first-principles density functional theory (DFT) investigation. Journal of Colloid and Interface Science 633 , pp. 886-896. 10.1016/j.jcis.2022.11.070

Paris, Charlie 2023. Heterogeneous catalysts for the sustainable production of hydrogen peroxide. PhD Thesis, Cardiff University.

Item availability restricted.

Pitchers, Jack 2023. Novel iron molybdate catalysts for the oxidative dehydrogenation of methanol and propane. PhD Thesis, Cardiff University.
Item availability restricted.

Platts, James A.

and Tolbatov, Iogann 2023. Simulation of uranyl-biomolecule interaction using a cationic dummy atom model. Chemical Physics Letters 822 , 140479. 10.1016/j.cplett.2023.140479

Pople, Huw 2023. Chemical and biological tools for nvestigating the catalytic mechanism of 7-epizingiberene synthase. PhD Thesis, Cardiff University.
Item availability restricted.

Popov, Ilya, Ghaderzadeh, Sadegh, Kohlrausch, Emerson C., Norman, Luke T., Slater, Thomas J. A.

, Aliev, Gazi N., Alhabeadi, Hanan, Kaplan, Andre, Theis, Wolfgang, Khlobystov, Andrei N., Fernandes, Jesum Alves and Besley, Elena 2023. Chemical kinetics of metal single atom and nanocluster formation on surfaces: An example of Pt on hexagonal Boron Nitride. Nano Letters 23 (17) , pp. 8006-8012. 10.1021/acs.nanolett.3c01968

Potter, Matthew E., Mediavilla Madrigal, Sofia, Campbell, Emma, Allen, Lisa J., Vyas, Urvashi, Parry, Stephen, García‐Zaragova, Adrián, Martínez‐Prieto, Luis M., Oña‐Burgos, Pascual, Lützen, Mads, Damsgaard, Christian D., Rodríguez‐Castellón, Enrique, Schiaroli, Nicola, Fornasari, Giuseppe, Benito, Patricia and Beale, Andrew M. 2023. A high pressure operando spectroscopy examination of bimetal interactions in ‘Metal Efficient’ palladium/In 2 O 3 /Al 2 O 3 catalysts for CO 2 hydrogenation. Angewandte Chemie 135 (45) , e202312645. 10.1002/ange.202312645

Pradhan, Tapas R.

and Park, Jin Kyoon 2023. An overview of water-mediated alkyne functionalization by neighboring group participation of carbonyl groups. Advanced Synthesis & Catalysis 362 (22) , pp. 4833-4860. 10.1002/adsc.202000826

Pramanik, Milan, Guerzoni, Michael G., Richards, Emma

2023. Recent advances in asymmetric catalysis using p‐block elements. Angewandte Chemie International Edition , e202316461. 10.1002/anie.202316461

Pramanik, Milan and Melen, Rebecca L.

2023. Metal-free routes from carbon monoxide to ketenes. Chem 9 (2) 10.1016/j.chempr.2023.01.014

Pramanik, Milan and Melen, Rebecca L.

2023. Frustrated radical pairs in selective functionalization of inert aliphatic C-H bonds. Chem 9 (8) , pp. 2060-2062. 10.1016/j.chempr.2023.07.012

Pritchard, Manon F.

, Powell, Lydia C.

, Adams, Jennifer Y.M., Menzies, Georgina

, Khan, Saira, Tondervik, Anne, Sletta, Havard, Olav, Aarstad, Skjåk-Bræk, Gudmund, McKenna, Stephen, Buurma, Niklaas J.

, Farnell, Damian J.J.

, Rye, Philip D., Hill, Katja E.

and Thomas, David W.

2023. Structure–activity relationships of low molecular weight alginate oligosaccharide therapy against Pseudomonas aeruginosa. Biomolecules 13 (9) , 1366. 10.3390/biom13091366

Pulis, Alexander P., Morrill, Louis C.

, Gillions, Joseph P., Elsherbeni, Salma A., Winfrey, Laura and Yun, Lei 2023. Recent advances in catalysis using organoborane-mediated hydride abstraction. Accounts and Rapid Communications in Chemical Synthesis 34 10.1055/a-2111-9629

Qiu, Chengwu, Odarchenko, Yaroslav, Lezcano-Gonzalez, Ines, Meng, Qingwei, Slater, Tom

, Xu, Shaojun and Beale, Andrew M. 2023. Visualising Co nanoparticle aggregation and encapsulation in Co/TiO2 catalysts and its mitigation through surfactant residues. Journal of Catalysis 419 , pp. 58-67. 10.1016/j.jcat.2023.02.002

Quesne, Matthew G., Higham, Michael D. and Catlow, Richard

2023. Advances in modelling reaction mechanisms: bridging the gap between homogeneous and heterogeneous catalysis. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, pp. 327-376. (10.1142/9781800612013_0009)

Rabiu, Hamza 2023. Metal oxide catalysts for the valorisation of bio-renewable feedstocks. PhD Thesis, Cardiff University.

Item availability restricted.

Ramdani, Wahiba, Rabadán González, Inés, Benbakoura, Nora, Ahmar, Mohammed, Verrier, Charlie, Queneau, Yves, Pera Titus, Marc, Jérôme, François and De Oliveira Vigier, Karine 2023. Catalytic Aldol Condensation of 5-Hydroxymethylfurfural and its Synthesis from Concentrated Feed of Carbohydrates. ChemCatChem 15 (11) , e202300044. 10.1002/cctc.202300044

Reed, Benjamen P., Marchesini, Sofia, Chemello, Giovanni, Morgan, David J.

, Vyas, Neil, Howe, Thomas, Radnik, Jörg, Clifford, Charles A. and Pollard, Andrew J. 2023. The influence of sample preparation on XPS quantification of oxygen-functionalised graphene nanoplatelets. Carbon 211 , p. 118054. 10.1016/j.carbon.2023.118054

Rezayi, Seyedeh Fardokht 2023. An advanced EPR investigation of copper complexes in catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Richards, Emma

2023. Carbenium catalysis toward β-carbolines. Chem Catalysis 3 (2) , 100511. 10.1016/j.checat.2023.100511

Richards, Thomas, Lewis, Richard J., Morgan, David J.

2023. The direct synthesis of Hydrogen Peroxide over supported Pd-based catalysts: an investigation into the role of the support and secondary metal modifiers. Catalysis Letters 153 , pp. 32-40. 10.1007/s10562-022-03967-8

Richards Gonzales, Andres 2023. Ethanol upgrading catalysis for advanced biofuels. PhD Thesis, Cardiff University.
Item availability restricted.

Richards, Nigel G. J.

, Bearne, Stephen L., Goto, Yuki and Parker, Emily J. 2023. Reactivity and mechanism in chemical and synthetic biology. Philosophical Transactions of the Royal Society B: Biological Sciences 378 (1871) , 20220023. 10.1098/rstb.2022.0023

Roszkowska, P., Dickenson, A., Higham, J. E., Easun, T. L.

, Walsh, J. L. and Slater, A. G. 2023. Enabling batch and microfluidic non-thermal plasma chemistry: reactor design and testing †. Lab on a Chip 23 (12) , pp. 2720-2728. 10.1039/d3lc00016h

Ruiz Esquius, Jonathan, Morgan, David J.

, Algara Siller, Gerardo, Gianolio, Diego, Aramini, Matteo, Lahn, Leopold, Kasian, Olga, Kondrat, Simon A., Schlögl, Robert, Hutchings, Graham J.

, Arrigo, Rosa and Freakley, Simon J. 2023. Lithium-directed transformation of amorphous iridium (oxy)hydroxides to produce active water oxidation catalysts. Journal of the American Chemical Society 145 (11) , pp. 6398-6409. 10.1021/jacs.2c13567

Sagar, Kadiyala, Pradhan, Tapas R.

, Farah, Abdikani Omar, Wise, Henry R., Merja, Bhailal C., Srimannarayana, Malempati, Cheong, Paul Ha-Yeon and Park, Jin Kyoon 2023. General hydroamination of allenamides: mechanistic Insights with an acetate adduct and 1,1,1,3,3,3-hexafluoro-2-propanol. Organic Letters 25 (30) , pp. 553-5702. 10.1021/acs.orglett.3c01820

Sansul, Shaymaa, Yousif, Emad, Ahmed, Dina S., El-Hiti, Gamal A.

, Hashim, Hassan and Ahmed, Ahmed 2023. Pendant modification of poly(methyl methacrylate) to enhance its stability against photoirradiation. Polymers 15 (14) , 2989. 10.3390/polym15142989

Savva, Loizos 2023. Computational examination of biomolecular systems related to Alzheimer’s and Parkinson’s diseases. PhD Thesis, Cardiff University.

Item availability restricted.

Savva, Loizos and Platts, James A.

2023. Evaluation of implicit solvent models in molecular dynamics simulation of α-Synuclein. Journal of Biomolecular Structure and Dynamics 41 (11) , pp. 5230-5245. 10.1080/07391102.2022.2082534

Savva, Loizos and Platts, James A.

2023. Exploring the impact of mutation and post-translational modification on α-Synuclein: Insights from molecular dynamics simulations with and without copper. Journal of Inorganic Biochemistry 249 , 112395. 10.1016/j.jinorgbio.2023.112395

Savva, Loizos and Platts, James A.

2023. How Cu(II) binding affects structure and dynamics of α-synuclein revealed by molecular dynamics simulations. Journal of Inorganic Biochemistry 239 , 112068. 10.1016/j.jinorgbio.2022.112068

Sawicka, Natalia 2023. A spectroscopic investigation of luminescent Cr(III) complexes. PhD Thesis, Cardiff University.

Item availability restricted.

Sejie, Fortunate P., Oyetunji, Olayinka A., Darkwa, James, Beas, Isaac N., Makhubela, Banothile C. E., Dzade, Nelson Y.

2023. The transfer hydrogenation of cinnamaldehyde using homogeneous Cobalt(II) and Nickel(II) (E)-1-(Pyridin-2-yl)-N-(3-(triethoxysilyl)propyl)methanimine and the complexes anchored on Fe 3 O 4 support as pre-catalysts: an experimental and in silico approach. Molecules 28 (2) , 659. 10.3390/molecules28020659

Serpi, Michaela

, Pertusati, Fabrizio

, Morozzi, Chiara, Novelli, Giulia, Giannantonio, Daniele, Duggan, Katrina, Vittorio, Serena, Fallis, Ian A.

, De Luca, Laura and Williams, David

2023. Synthesis, molecular docking and antibacterial activity of an oxadiazole-based lipoteichoic acid inhibitor and its metabolites. Journal of Molecular Structure 1278 , 134977. 10.1016/j.molstruc.2023.134977

Shah, Parag M., Bailey, Liam A., Morgan, David J.

2023. The effect of metal ratio and precipitation agent on highly active iron-manganese mixed metal oxide catalysts for propane total oxidation. Catalysts 13 (5) , 794. 10.3390/catal13050794

Shah, Parag M., Bailey, Liam A. and Taylor, Stuart H.

2023. The influence of cerium to manganese ratio and preparation method on the activity of ceria-manganese mixed metal oxide catalysts for voc total oxidation. Catalysts 13 (1) , 114. 10.3390/catal13010114

Sharma, Pankaj

, Sharma, Monika, Dearg, Malcolm, Wilding, Martin, Slater, Thomas J. A.

2023. Cd/Pt precursor solution for solar H2 production and in situ photochemical synthesis of Pt single-atom decorated CdS aanoparticles.. Angewandte Chemie , pp. 1-11. 10.1002/ange.202301239

Sharma, Pankaj

, Sharma, Monika, Dearg, Malcolm, Wilding, Martin, Slater, Thomas J. A.

2023. Cd/Pt precursor solution for solar H 2 production and in situ photochemical synthesis of Pt single‐atom decorated CdS nanoparticles. Angewandte Chemie International Edition 62 (20) , e202301239. 10.1002/anie.202301239

Sharp, Gregory 2023. Catalytic oxidation reactions using hydrogen peroxide. PhD Thesis, Cardiff University.
Item availability restricted.

Shaw, Matthew 2023. Green and versatile: catalytic production of recyclable co-polymers from epoxides and anhydrides. PhD Thesis, Cardiff University.
Item availability restricted.

Shehu, Mustapha, Oladipo, Tolani T., Baffa, Farouk U., Abdullahi, Tahir, Ugwu, Chibuike K., Tanimu, Amina M., Adegboyega, Jide, Korir, Gideon K., Odoguje, Isyaku A. and Dzade, Nelson Y.

2023. First-principles insights into sulfur oxides (SO2 and SO3) adsorption and dissociation on layered iron sulfide (FeS) catalyst. Materials Today Communications 34 , 105452. 10.1016/j.mtcomm.2023.105452

Shepherd, Freya R., Davies, Kate

, Miners, Kelly L., Llewellyn-Lacey, Sian, Kollnberger, Simon, Redman, James E.

, Grant, Melissa M., Ladell, Kristin

, Price, David A.

and McLaren, James E.

2023. The superantigens SpeC and TSST-1 specifically activate TRBV12-3/12-4+ memory T cells. Communications Biology 6 , 78. 10.1038/s42003-023-04420-1

Shin, Hyun Gyu, Pradhan, Tapas R.

, Park, Jin Kyoon and Kim, Jeung Gon 2023. Postpolymerization modification of sterically demanding poly(methacrylic acid) with allene sulfonamides. Polymer Chemistry 14 (2) , pp. 111-115. 10.1039/D2PY01363K

Shrestha, Dipesh, Dhakal, Kamal, Pokhrel, Tamlal, Adhikari, Achyut, Hardwick, Tomas, Shirinfar, Bahareh and Ahmed, Nisar

2023. Photoelectrocatalysis enables greener routes to valuable chemicals and solar fuels. Demirci Sankir, Nurdan and Sankar, Mehmet, eds. Solar Fuels, Scrivener Publishing & Wiley, pp. 185-203. (10.1002/9781119752097.ch6)

Smith, Daniel A.

, Redman, James E.

, Fraser, Donald J.

and Bowen, Timothy

2023. Identification and detection of microRNA kidney disease biomarkers in liquid biopsies. Current Opinion in Nephrology and Hypertension 32 (6) , pp. 515-521. 10.1097/MNH.0000000000000927

Smith, Keith, Mu, Xiaojing, Li, Zhaoqiang, Holland, Andy M., Woodhead, J. Stuart and El-Hiti, Gamal A. 2023. Synthesis, structure elucidation, and chemiluminescent activity of new 9-substituted 10-(ω-(succinimidyloxycarbonyl)alkyl)acridinium esters. Luminescence 38 (4) , pp. 487-496. 10.1002/bio.4474

Smith, Keith, Ahmed, Zabair, Woodhead, J. Stuart and El-Hiti, Gamal A. 2023. Syntheses of hindered-polymethylacridinium esters with potential for biological probe nanoarchitectonics. Journal of Oleo Science 72 (4) , pp. 447-460. 10.5650/jos.ess22327

Smith, Keith, Mu, Xiaojing, Li, Zhaoqiang, Woodhead, J. Stuart and El‐Hiti, Gamal A. 2023. Synthesis and chemiluminescent characteristics of two new acridinium esters. Luminescence 38 (11) , pp. 1857-1863. 10.1002/bio.4572

Sokolnicki, Tomasz, Alharbi, Mashael M., van Ingen, Yara, Rahim, Shahnaz, Pramanik, Milan, Roldan Martinez, Alberto

, Walkowiak, Jędrzej and Melen, Rebecca L.

2023. Reactivity of a series of triaryl borates, B(OAr x) 3, in hydroboration catalysis. Dalton Transactions 52 (44) , pp. 16118-16122. 10.1039/d3dt03333c

Spear, Luke 2023. Chemical genetic inhibition of E2 ubiquitin-conjugating enzymes. PhD Thesis, Cardiff University.

Item availability restricted.

Spencer-Briggs, Jenna L. and Rourke, Jonathan P.

2023. A new bridging "Introduction to university chemistry" module for Cardiff university. Journal of Chemical Education 100 (2) , pp. 554-563. 10.1021/acs.jchemed.2c00654

Spils, Julian, Wirth, Thomas

and Nachtsheim, Boris J 2023. Two-step continuous-flow synthesis of 6-membered cyclic iodonium salts via anodic oxidation. Beilstein Journal of Organic Chemistry 19 , pp. 27-32. 10.3762/bjoc.19.2

Srivastava, PrabhakarL.

, Johns, Sam T., Walters, Rebecca, Miller, David J., Van der Kamp, Marc W. and Allemann, Rudolf K.

2023. Active site loop engineering abolishes water capture in hydroxylating sesquiterpene synthases. ACS Catalysis 13 (21) , pp. 14199-14204. 10.1021/acscatal.3c03920

Stacey, Edward, Quesne, Matthew G. and Catlow, Richard

2023. Computational investigation of the structures and energies of microporous materials. Microporous and Mesoporous Materials 358 , 112382. 10.1016/j.micromeso.2022.112382

Stefkova, Katarina 2023. Novel applications of triarylfluoroboranes in organic synthesis. PhD Thesis, Cardiff University.

Item availability restricted.

Stefkova, Katarina, Guerzoni, Michael G., van Ingen, Yara, Richards, Emma

2023. B(c6f5)3-catalyzed diastereoselective and divergent reactions of vinyldiazo esters with nitrones: synthesis of highly functionalized diazo compounds. Organic Letters 25 (3) , pp. 500-505. 10.1021/acs.orglett.2c04198

Stenner, Alex, Lewis, Richard J., Brehm, Joseph, Qin, Tian, López‐Martín, Ángeles, Morgan, David J.

, Davies, Thomas E., Chen, Liwei, Liu, Xi and Hutchings, Graham J.

2023. Chemo-enzymatic one-pot oxidation of cyclohexane via in-situ H2O2 production over supported AuPdPt catalysts. ChemCatChem 15 (10) , e202300162. 10.1002/cctc.202300162

Stishenko, Pavel V., Keal, Thomas W., Woodley, Scott M., Blum, Volker, Hourahine, Benjamin, Maurer, Reinhard J. and Logsdail, Andrew J.

2023. Atomic Simulation Interface (ASI): application programming interface for electronic structure codes. The Journal of Open Source Software 8 (85) , 5186. 10.21105/joss.05186

Sun, Shuzhuang, Zhang, Chen, Chen, Sining, Zhao, Xiaotong, Wang, Yuanyuan, Xu, Shaojun and Wu, Chunfei 2023. Integrated CO2 capture and reverse water–gas shift reaction over CeO2 -CaO dual functional materials. Royal Society Open Science 10 (4) , 230067. 10.1098/rsos.230067

Thangavel, Kavipriya 2023. Elucidation of the role of paramagnetic valence states of high spin transition metal ions in MOF catalysts by EPR spectroscopy. PhD Thesis, Cardiff University.

Item availability restricted.

Thangavel, Kavipriya, Bruzzese, Paolo Cleto, Mendt, Matthias, Folli, Andrea

, Knippen, Katharina, Volkmer, Dirk, Murphy, Damien M.

and Pöppl, Andreas 2023. Unveiling the atomistic and electronic structure of Ni II –NO adduct in a MOF-based catalyst by EPR spectroscopy and quantum chemical modelling †. Physical Chemistry Chemical Physics 10.1039/d3cp01449e

Thangavel, Kavipriya, Folli, Andrea

, Ziese, Michael, Hausdorf, Steffen, Kaskel, Stefan, Murphy, Damien M.

and Pöppl, Andreas 2023. EPR and SQUID interrogations of Cr(III) trimer complexes in the MIL-101(Cr) and bimetallic MIL-100(Al/Cr) MOFs. SciPost Physics Proceedings 11 , 016. 10.21468/SciPostPhysProc.11.016

Thangavel, Kavipriya, Mendt, Matthias, Garai, Bikash, Folli, Andrea

, Bon, Volodymyr, Murphy, Damien M.

, Kaskel, Stefan and Pöppl, Andreas 2023. Magnetic coupling of divalent metal centers in postsynthetic metal exchanged bimetallic DUT-49 MOFs by EPR spectroscopy. AIP Advances 13 (1) , 015019. 10.1063/9.0000532

Tomer, Ajay, Islam, Mazharul M., Bahri, Mounib, Inns, Donald R., Manning, Troy D., Claridge, John B., Browning, Nigel D., Catlow, C. Richard A.

, Roldan, Alberto

, Katsoulidis, Alexandros P. and Rosseinsky, Matthew J. 2023. Enhanced production and control of liquid alkanes in the hydrogenolysis of polypropylene over shaped Ru/CeO2 catalysts. Applied Catalysis A: General 666 , 119431. 10.1016/j.apcata.2023.119431

Tong, Tao, Douthwaite, Mark, Chen, Lu

, Engel, Rebecca, Conway, Matthew B., Guo, Wanjun, Wu, Xin-Ping, Gong, Xue-Qing, Wang, Yanqin, Morgan, David J.

, Davies, Thomas, Kiely, Christopher J.

, Chen, Liwei

, Liu, Xi and Hutchings, Graham J.

2023. Uncovering structure - activity relationships in pt/ceo2 catalysts for hydrogen-borrowing amination. ACS Catalysis 13 (2) , pp. 1207-1220. 10.1021/acscatal.2c04347

Treder, Kevin P., Huang, Chen, Bell, Cameron G., Slater, Thomas J. A.

, Schuster, Manfred E., Özkaya, Doğan, Kim, Judy S. and Kirkland, Angus I. 2023. nNPipe: a neural network pipeline for automated analysis of morphologically diverse catalyst systems. npj Computational Materials 9 (1) , 18. 10.1038/s41524-022-00949-7

Ungerer, Marietjie J.

2023. A DFT study of Ruthenium fcc nano-dots: size-dependent induced magnetic moments. Nanomaterials 13 (6) , 1118. 10.3390/nano13061118

van der Zee, Lars J. C., Pahar, Sanjukta, Richards, Emma

and Slootweg, J. Chris 2023. Insights into single-electron-transfer processes in frustrated lewis pair chemistry and related donor-acceptor systems in main group chemistry. Chemical Reviews 123 (15) , pp. 9653-9675. 10.1021/acs.chemrev.3c00217

Vázquez-Parga, David, Jurado, Anabel, Roldan, Alberto

and Viñes, Francesc 2023. A computational map of the probe CO molecule adsorption and dissociation on transition metal low Miller indices surfaces. Applied Surface Science 618 , 156581. 10.1016/j.apsusc.2023.156581

Vernieres, Jerome, Tarrat, Nathalie, Lethbridge, Sean, Watchorn-Rokutan, Erica, Slater, Thomas

, Loffreda, David and Palmer, Richard E. 2023. Influence of air exposure on structural isomers of silver nanoparticles. Communications Chemistry 6 , 19. 10.1038/s42004-023-00813-9

Visser, Nienke L., Verschoor, Juliette C., Smulders, Luc C.J., Mattarozzi, Francesco, Morgan, David J.

, Meeldijk, Johannes D., van der Hoeven, Jessi E.S., Stewart, Joseph A., Vandegehuchte, Bart D. and de Jongh, Petra E. 2023. Influence of carbon support surface modification on the performance of nickel catalysts in carbon dioxide hydrogenation. Catalysis Today , 114071. 10.1016/j.cattod.2023.114071

Wang, Sikai, Fung, Victor, Hülsey, Max J., Liang, Xiaocong, Yu, Zhiyang, Chang, Jinquan, Folli, Andrea

, Lewis, Richard J., Hutchings, Graham J.

, He, Qian and Yan, Ning 2023. H2-reduced phosphomolybdate promotes room-temperature aerobic oxidation of methane to methanol. Nature Catalysis 6 , pp. 895-905. 10.1038/s41929-023-01011-5

Wang, Yanlin 2023. Study on the active sites and poisoning of Pt catalysts for acetylene hydrochlorination. PhD Thesis, Cardiff University.
Item availability restricted.

Wang, Yucheng, Wu, Yanan, Zheng, Xingqun and Lu, Shun 2023. Ice-templated method to promote electrochemical energy storage and conversion: a review. Energies 16 (9) , 3865. 10.3390/en16093865

Ward, Dominic 2023. Making photoactive MOFs: Properties and applications in water purification. PhD Thesis, Cardiff University.
Item availability restricted.

Watson, Nathan A. I. and Beames, Joseph M.

2023. Bimolecular sinks of Criegee intermediates derived from hydrofluoroolefins – a computational analysis. Environmental Science: Atmospheres 3 , pp. 1460-1484. 10.1039/d3ea00102d

Weidendorfer, Daniel, Hess, Kai-Uwe, Ruhekenya, Ruben M., Schawe, Jürgen E. K., Wilding, Martin C. and Dingwell, Donald B. 2023. Effect of water on the glass transition of a potassium-magnesium carbonate melt. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2258) , 20220355. 10.1098/rsta.2022.0355

Wilding, Martin C., Benmore, Chris, Headen, Thomas F., Di Mino, Camilla, Miller, Thomas S., Suter, Theo M., Corà, Furio, Clancy, Adam J., Sella, Andrea, McMillan, Paul and Howard, Christopher A. 2023. The local ordering of polar solvents around crystalline carbon nitride nanosheets in solution. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2259) , 20220337. 10.1098/rsta.2022.0337

Wilding, Martin C., Sella, Andrea, Howard, Christopher A., Jorge Sobrido, Ana and Catlow, Richard A.

2023. Exploring the length scales, timescales and chemistry of challenging materials (Part 1). Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2258) , 20220353. 10.1098/rsta.2022.0353

Wilding, Martin C., Sella, Andrea, Howard, Christopher A., Sobrido, Ana Jorge and Catlow, C. R. A.

2023. Exploring the length scales, timescales and chemistry of challenging materials (Part 2). Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 381 (2259) , 20230175. 10.1098/rsta.2023.0175

Williams, Jake 2023. Selective hydrogenation of terminal alkynes using supported palladium-silver nanoparticles. PhD Thesis, Cardiff University.
Item availability restricted.

Williams, Matthew T. J., Morrill, Louis C.

and Browne, Duncan L.

2023. Nickel‐catalyzed intramolecular alkene difunctionalization by ball‐milling. Advanced Synthesis & Catalysis 365 (9) , pp. 1477-1484. 10.1002/adsc.202300188

Willock, D.J.

2023. Crystal binding (interatomic forces): Metallic bonding and crystals. Sanchez, Ana M., Aoki, Hideo, Blick, Robert H., Raimondi, Roberto, Roemer, Rudolf A. and Fomin, Vladimir Mihajlovic, eds. Reference Module in Materials Science and Materials Engineering, Elsevier, pp. 217-230. (10.1016/B978-0-323-90800-9.00193-1)

Wingad, Richard, Birch, Laurence, Farndon, Joshua, Lee, Jason, Pellow, Katy J. and Wass, Duncan F.

2023. Control in advanced biofuels synthesis via alcohol upgrading: catalyst selectivity to n ‐butanol, sec ‐butanol or isobutanol. ChemCatChem , e202201410. 10.1002/cctc.202201410

Winterson, Bethan 2023. Electrocatalysis in iodine-based oxidations. PhD Thesis, Cardiff University.
Item availability restricted.

Winterson, Bethan, Bhattacherjee, Dhananjay and Wirth, Thomas

2023. Hypervalent halogen compounds in electrochemical reactions: advantages and prospects. Advanced Synthesis & Catalysis 365 (16) , pp. 2676-2689. 10.1002/adsc.202300412

Wirth, Thomas

2023. Hypervalent iodine in electrochemical reactions: advantages and prospects. SIS Letters (24)

Wright, Anna I., Kariuki, Benson M.

and Wu, Yi-Lin

2023. Synthesis, solid-state structure, and electrochemical properties of thienodipyrimidine-2,4,5,7-tetra(thi)ones. ARKIVOC 2023 (2) , 202311998. 10.24820/ark.5550190.p011.998

Wu, Yan-Ying, Wu, Yi-Lin

, Lin, Cheng-Lan, Chen, Hung-Cheng, Chuang, Yao-Yuan, Chen, Chih-Hsien and Chou, Chih-Ming 2023. Butterfly-shaped Dibenz[a,j]anthracenes: Synthesis and photophysical properties. Organic Letters 25 (43) , pp. 7763-7768. 10.1021/acs.orglett.3c02306

Xiao, Lifeng 2023. Chemoselective hydrogenation of nitroarenes over supported pt nanoparticles. PhD Thesis, Cardiff University.
Item availability restricted.

Xie, Zijuan, Buckeridge, John, Catlow, C. Richard. A

, Zhang, Anping, Keal, Thomas W., Sherwood, Paul, Lu, You, Woodley, Scott M. and Sokol, Alexey A. 2023. Overcoming the compensation of acceptors in GaN:Mg by defect complex formation. APL Materials 11 (8) , 080701. 10.1063/5.0148858

Xu, Kai, Pérez-Fidalgo, Luis, Charles, Bethan L., Weller, Mark T., Alonso, M. Isabel and Goñi, Alejandro R. 2023. Using pressure to unravel the structure–dynamic-disorder relationship in metal halide perovskites. Scientific Reports 13 (1) , 9300. 10.1038/s41598-023-36501-w

Xu, Shaojun, Fan, Xiaolei, Chen, Huanhao, Hardacre, Christopher and Catlow, Richard

2023. Non-thermal plasma-assisted catalysis for carbon neutrality. Hutchings, Graham, Davidson, Matthew, Catlow, Richard, Hardacre, Christopher, Turner, Nicholas, Williams, Charlotte, Mulholland, Adrian, Goodall, Josie and Mitchell, Chris, eds. Modern Developments in Catalysis Vol 2, World Scientific, pp. 117-158. (10.1142/9781800612013_0003)

Yao, Yunjin, Ma, Zhenshan, Zhang, Yangyang, Wang, Yaoyao, Li, Zhan, Wang, Siyuan, Wei, Fengyu and Wang, Shaobin 2023. N-Doped carbon nanotubes encapsulated FeNi alloy in persulfate activation for nonradical Reaction: Confined metal redox. Applied Surface Science 624 , 157069. 10.1016/j.apsusc.2023.157069

Yashwanth, H.J., Rondiya, Sachin R., Eya, Henry I., Dzade, Nelson Z.

, Phase, Deodatta M., Dhole, Sanjay D. and Hareesh, K. 2023. Synergy between nitrogen, phosphorus co-doped carbon quantum dots and ZnO nanorods for enhanced hydrogen production. Journal of Alloys and Compounds 937 , 168397. 10.1016/j.jallcom.2022.168397

Ye, Jiani, Zhang, Dongsheng, Salli, Sofia, Li, Yajiao, Han, Feiyu, Mai, Yuanqiang, Rosei, Federico, Li, Yongwang, Yang, Yong, Besenbacher, Flemming, Niemantsverdriet, Hans, Richards, Emma

and Su, Ren 2023. Heterogeneous photocatalytic recycling of FeX2/FeX3 for efficient halogenation of C−H bonds using NaX. Angewandte Chemie International Edition 62 (23) , e202302994. 10.1002/anie.202302994

Young, Taylor B., Guppy, Owaen G., Draper, Alysia J., Whitington, Joshua M., Kariuki, Benson M.

, Paul, Alison

, Eaton, Mark

2023. Chemically recyclable fluorescent polyesters via the ring-opening copolymerization of epoxides and anhydrides. Polymer Chemistry 10.1039/D3PY00209H

Yue, Chenghao, Liu, Yao, Guan, Shaoliang, Fereydooni, Alireza, Zeng, Yuexi, Wei, Zhijie, Wang, Yonggang and Chao, Yimin 2023. Optimising hollow-structured silicon nanoparticles for lithium-ion batteries. Materials 16 (17) , 5884. 10.3390/ma16175884

Zappala, Davide 2023. Mechanistic and structural insights into the specificity and biological functions of e. Coli had superfamily phosphatase had4/yihx. PhD Thesis, Cardiff University.
Item availability restricted.

Zhang, Hua, Zhou, Yintang, Xu, Ming, Chen, Anran, Ni, Zitao, Akdim, Ouardia, Wågberg, Thomas, Huang, Xiaoyang and Hu, Guangzhi 2023. Interface engineering on amorphous/crystalline Hydroxides/Sulfides heterostructure nanoarrays for enhanced solar water splitting. ACS Nano 17 (1) , 636–647. 10.1021/acsnano.2c09880

Zhang, Zhen, Dong, Mochen, Zallot, Rémi, Blackburn, George Michael, Wang, Nini, Wang, Chengjian, Chen, Long, Baumann, Patrick, Wu, Zuyan, Wang, Zhongfu, Fan, Haiming, Roth, Christian, Jin, Yi and He, Yuan 2023. Mechanistic and structural insights into the specificity and biological functions of bacterial sulfoglycosidases. ACS Catalysis 13 (1) , 824–836. 10.1021/acscatal.2c05405

Zhang, Chen, Sun, Shuzhuang, Xu, Shaojun, Johnston, Chris and Wu, Chunfei 2023. Phosphorus removal from dirty farmyard water by activated anaerobic-digestion-derived biochar. Industrial & Engineering Chemistry Research 62 (45) , pp. 19216-19224. 10.1021/acs.iecr.2c02668

Zhang, Xingfan, Liu, Taifeng, Zhu, Lei, Guan, Jingcheng, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C. Richard A.

and Sokol, Alexey A. 2023. Bulk and surface contributions to ionisation potentials of metal oxides. Angewandte Chemie 135 (40) , e202308411. 10.1002/ange.202308411

Zhang, Xingfan, Liu, Taifeng, Zhu, Lei, Guan, Jingcheng, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, C.Richard A.

and Sokol, Alexey A. 2023. Bulk and surface contributions to ionisation potentials of metal oxides. Angewandte Chemie International Edition , e202308411. 10.1002/anie.202308411

Zhang, Xingfan, Zhu, Lei, Hou, Qing, Guan, Jingcheng, Lu, You, Keal, Thomas W., Buckeridge, John, Catlow, Charles

and Sokol, Alexey A. 2023. Toward a consistent prediction of defect chemistry in ceo2. Chemistry of Materials 35 (1) , pp. 207-227. 10.1021/acs.chemmater.2c03019

Zhang, Zhao, Tao, Weidong, Cheng, Debin, Qin, Marong, Fu, Jun and Liu, Dong 2023. Deciphering the crosstalk of immune dysregulation between COVID-19 and idiopathic inflammatory myopathy. Frontiers in Immunology 14 , 1197493. 10.3389/fimmu.2023.1197493

Zhao, Liang 2023. Investigating catalytic enhancements in Au oxidation catalysts arising from Pd as a second metal or TiOx encapsulation. PhD Thesis, Cardiff University.
Item availability restricted.

Zhao, Liang, Akdim, Ouardia, Huang, Xiaoyang, Wang, Kai, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Lin, Runjia, Yao, Bingqing, Morgan, David J.

, Shaw, Greg, He, Qian

, Bethell, Donald, McIntosh, Steven, Kiely, Christopher J.

2023. Insights into the effect of metal ratio on cooperative redox enhancement effects over au- and pd-mediated alcohol oxidation. ACS Catalysis 13 (5) , pp. 2892-2903. 10.1021/acscatal.2c06284

Zhou, Dan, Spruit, Ronald G., Perez Garza, Hugo, Bladt, Eva, Lu, Chenyang, Liu, Xi, Carter, James, Hutchings, Graham

and Liu, Wei 2023. Atmospheric gas and heating transmission electron microscopy with water vapor control. Microscopy and Microanalysis 29 (Supple) , pp. 1591-1592. 10.1093/micmic/ozad067.818

Zhu, Lei, Catlow, C. Richard A.

, Hou, Qing, Zhang, Xingfan, Buckeridge, John and Sokol, Alexey A. 2023. Computational study of native defects and defect migration in wurtzite AlN: an atomistic approach †. Journal of Materials Chemistry A: materials for energy and sustainability 11 (28) , pp. 15482-15498. 10.1039/d2ta09503c

Ziarko, Aleksandra, Slater, Thomas J. A.

, Isaacs, Mark A., Durndell, Lee J. and Parlett, Christopher M. A. 2023. Isolated PdO sites on SiO2-supported NiO nanoparticles as active sites for allylic alcohol selective oxidation. Catalysis Science & Technology 13 (12) , pp. 3483-3488. 10.1039/d3cy00198a

2022

Hossain, Moazzem, Ahmad, Qazi Koliquzzaman and Islam, Mazharul M.

, eds. 2022. Towards a Sustainable Economy: The Case of Bangladesh. Routledge Studies in Development Economics, Routledge | Taylor & Francis Group. 10.4324/9781003231912

Aggett, Kieran 2022. Designing new catalysts to control atmospheric emissions of volatile organic pollutants. PhD Thesis, Cardiff University.

Item availability restricted.

Agrawal, Kushagra, Roldan, Alberto

, Kishore, Nanda and Logsdail, Andrew J.

2022. Hydrodeoxygenation of guaiacol over orthorhombic molybdenum carbide: a DFT and microkinetic study. Catalysis Science & Technology 12 (3) , pp. 843-854. 10.1039/D1CY01273H

Agrawal, Kushagra, Roldan, Alberto

, Kishore, Nanda and Logsdail, Andrew J.

2022. Dehydrogenation and dehydration of formic acid over orthorhombic molybdenum carbide. Catalysis Today 384-6 , pp. 197-208. 10.1016/j.cattod.2021.04.011

Ahmad, Bello Bungudu 2022. Photocatalytic reforming of a glycerol water mixture on Pt/TiO2 catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Ahmed, Dina S., Mohammed, Alaa, Husain, Amani A., El-Hiti, Gamal A., Kadhom, Mohammed, Kariuki, Benson M.

and Yousif, Emad 2022. Fabrication of highly photostable polystyrene films embedded with organometallic complexes. Polymers 14 (5) , 1024. 10.3390/polym14051024

Al-Riyahee, Ali A. A., Horton, Peter N., Coles, Simon J., Berry, Colin

, Horrocks, Paul D., Pope, Simon J. A.

and Amoroso, Angelo J.

2022. N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties. Dalton Transactions 51 (9) , pp. 3531-3545. 10.1039/D1DT04091J

Al-Riyahee, Ali A.A., Horton, Peter N., Coles, Simon J., Amoroso, Angelo J.

2022. Ni(II), Cu(II) and Zn(II) complexes of functionalised thiosemicarbazone ligands: Syntheses and reactivity, characterization and structural studies. Polyhedron 225 , 116079. 10.1016/j.poly.2022.116079

Ali, Hazrat, Khan, Azim, Ahmad, Tauqeer, Dervisi, Athanasia

, Fallis, Ian

, Shoetan, Ibrahim O., Khan, Abbas, Hussain, Arshad and Griffiths, Peter 2022. Interfacial activity and micellar morphology of an imidazolium ring containing zwitterionic surfactants. Journal of Surfactants and Detergents 25 (3) , pp. 341-350. 10.1002/jsde.12573

Aliakbari, Raouf, Kowsari, Elaheh, Naderi, Hamid Reza, Tafreshi, Saeedeh Sarabadani, Ramakrishna, Seeram, Chinnappan, Amutha and de Leeuw, Nora H.

2022. Si-containing 3D cage-functionalized graphene oxide grafted with Ferrocene for high-performance supercapacitor application: An experimental and theoretical study. Journal of Energy Storage 50 , 104635. 10.1016/j.est.2022.104635

Allemann, Rudolf K.

, Samperio, Raquel, Mart, Robert

, Luk, Louis

, Tsai, Yu-Hsuan

, Jones, Arwyn

and Cruz Samperio, Raquel 2022. Spatio-temporal control of cell death by selective delivery of photo-activatable proteins. ChemBioChem 23 (12) , e202200115. 10.1002/cbic.202200115

Alli, Uthman, McCarthy, Kieran, Baragau, Ioan-Alexandru, Power, Nicholas P., Morgan, David J.

, Dunn, Steven, Killian, Seamus, Kennedy, Tadhg and Kellici, Suela 2022. In-situ continuous hydrothermal synthesis of TiO2 nanoparticles on conductive N-doped MXene nanosheets for binder-free li-ion battery anodes. Chemical Engineering Journal 430 (4) , 132976. 10.1016/j.cej.2021.132976

Alshammari, Nadiyah 2022. Exploration of the effect of metal-ions interaction on biomolecular systems. PhD Thesis, Cardiff University.

Item availability restricted.

Amakali, Theopolina, Živković, Aleksandar

, Warwick, Michael E. A., Jones, Daniel R., Dunnill, Charles W., Daniel, Likius S., Uahengo, Veikko, Mitchell, Claire E., Dzade, Nelson Y.

2022. Photocatalytic degradation of rhodamine B dye and hydrogen evolution by hydrothermally synthesized NaBH4-spiked ZnS nanostructures. Frontiers in Chemistry 10 , 835832. 10.3389/fchem.2022.835832

Amesbury, Robert 2022. Circular economy of polyisocyanurate insulation materials. PhD Thesis, Cardiff University.
Item availability restricted.

Arrigo, Rosa, Blume, Raoul, Streibel, Verena, Genovese, Chiara, Roldan, Alberto

, Schuster, Manfred E., Ampelli, Claudio, Perathoner, Siglinda, Velasco Vélez, Juan J., Hävecker, Michael, Knop-Gericke, Axel, Schlögl, Robert and Centi, Gabriele 2022. Dynamics at polarized carbon dioxide-iron oxyhydroxide interfaces unveil the origin of multicarbon product formation. ACS Catalysis 12 , pp. 411-430. 10.1021/acscatal.1c04296

Avval, Tahereh G., Gallagher, Neal, Morgan, David

, Bargiela, Pascal, Fairley, Neal, Fernandez, Vincent and Linford, Matthew R. 2022. Practical guide on chemometrics/informatics in x-ray photoelectron spectroscopy (XPS). I. Introduction to methods useful for large or complex datasets. Journal of Vacuum Science and Technology A 40 (6) , 063206. 10.1116/6.0002082

Avval, Tahereh G., Haack, Hyrum, Gallagher, Neal, Morgan, David

, Bargiela, Pascal, Fairley, Neal, Fernandez, Vincent and Linford, Matthew R. 2022. Practical guide on chemometrics/informatics in x-ray photoelectron spectroscopy (XPS). II. Example applications of multiple methods to the degradation of cellulose and tartaric acid. Journal of Vacuum Science and Technology A 40 (6) , 063205. 10.1116/6.0001969

Ayama-Canden, Sophie, Tondo, Rodolfo, Piñeros, Liliana, Ninane, Noëlle, Demazy, Catherine, Dieu, Marc, Fattaccioli, Antoine, Tabarrant, Tijani, Lucas, Stéphane, Bonifazi, Davide

and Michiels, Carine 2022. IGDQ motogenic peptide gradient induces directional cell migration through integrin (αv)β3 activation in MDA-MB-231 metastatic breast cancer cells. Neoplasia 31 , 100816. 10.1016/j.neo.2022.100816

Azizova, Liana, Morgan, David

, Rowlands, Jeff, Brousseau, Emmanuel

, Kulik, Tetiana, Palianytsia, Borys, Mansell, Jason Peter, Birchall, James

, Wilkinson, Thomas

, Sloan, Alastair

and Nishio Ayre, Wayne

2022. Parameters controlling octadecyl phosphonic acid self-assembled monolayers on titanium dioxide for anti-fouling biomedical applications. Applied Surface Science 604 , 154462. 10.1016/j.apsusc.2022.154462

Babaahmadi, Rasool, Dasgupta, Ayan, Hyland, Christopher J. T., Yates, Brian F., Melen, Rebecca L.

and Ariafard, Alireza 2022. Understanding the influence of donor-acceptor diazo compounds on the catalyst efficiency of B(C6F5)3 towards carbene formation. Chemistry - A European Journal 28 (11) , e202104376. 10.1002/chem.202104376

Bacirhonde, Patrick M., Dzade, Nelson Y.

, Chalony, Carmen, Park, Jeesoo, Jeong, Eun-Suk, Afranie, Emmanuel O., Lee, Sunny, Kim, Cheol Sang, Kim, Do-Hwan and Park, Chan Hee 2022. Reduction of transition-metal columbite-tantalite as a highly efficient electrocatalyst for water splitting. ACS Applied Materials and Interfaces 14 (13) , 15090–15102. 10.1021/acsami.1c21742

Bailey, Liam A., Bere, Takudzwa, Davies, Thomas E., Taylor, Stuart H.

and Graham, Andrew E. 2022. Preparation of biomass-derived furfuryl acetals by transacetalization reactions catalyzed by nanoporous aluminosilicates. ACS Sustainable Chemistry and Engineering 10 (41) , 13759–13764. 10.1021/acssuschemeng.2c03968

Barlocco, Ilaria, Bellomi, Silvio, Tumiati, Simone, Fumagalli, Patrizia, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2022. Selective decomposition of hydrazine over metal free carbonaceous materials. Physical Chemistry Chemical Physics 24 (5) , pp. 3017-3029. 10.1039/D1CP05179B

Barlow, Victoria L. and Tsai, Yu-Hsuan

2022. Acetylation at lysine 86 of escherichia coli HUβ modulates the DNA-binding capability of the protein. Frontiers in Microbiology 12 , 809030. 10.3389/fmicb.2021.809030

Barlow, Victoria 2022. Identification of bacterial posttranslational modifications that regulate antimicrobial resistance. PhD Thesis, Cardiff University.

Item availability restricted.

Barnes, Alexandra, Lewis, Richard J., Morgan, David J.

, Davies, Thomas E. and Hutchings, Graham J.

2022. Enhancing catalytic performance of AuPd catalysts towards the direct synthesis of H2O2 through incorporation of base metals. Catalysis Science & Technology 12 , pp. 1986-1995. 10.1039/D1CY01962G

Barnes, Alexandra, Lewis, Richard J., Morgan, David J.

, Davies, Thomas E. and Hutchings, Graham J.

2022. Improving catalytic activity towards the direct synthesis of H2O2 through Cu incorporation into AuPd catalysts. Catalysts 12 (11) , 1396. 10.3390/catal12111396

Barter, Michael

, Magri, Giuseppina, Harari, Jaafar, Choi, Heungjae

, Slocombe, Daniel R.

and Porch, Adrian

2022. Design considerations of a dual mode X-band EPR resonator for rapid in-situ microwave heating. Applied Magnetic Resonance 53 , pp. 861-874. 10.1007/s00723-022-01463-1

Bates, Samuel 2022. Developments in sustainable C-C bond forming reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Bell, Cameron G., Treder, Kevin P., Kim, Judy S., Schuster, Manfred E., Kirkland, Angus I. and Slater, Thomas J. A.

2022. Trainable segmentation for transmission electron microscope images of inorganic nanoparticles. Journal of Microscopy 288 (3) , pp. 169-184. 10.1111/jmi.13110

Benton, Jennifer 2022. Chemoenzymatic applications and catalytic mechanism of 7-epi-zingiberene synthase. PhD Thesis, Cardiff University.
Item availability restricted.

Bere, Takudzwa 2022. Designing novel amorphous catalysts for the propane dehydrogenation reaction. PhD Thesis, Cardiff University.
Item availability restricted.

Beynon, Owain 2022. Astudiaeth Gyfrifiadurol o Synthesis a Sefydlogrwydd Defnyddiau Mandyllog Anorganig. PhD Thesis, Prifysgol Caerdydd.

Item availability restricted.

Bijani, Sabera, Shaikh, Faraz, Mirza, Sheefa, Weng In Siu, Shirley, Jain, Nayan, Rawal, Rakesh, Richards, Nigel G. J.

, Shah, Anamik and Radadiya, Ashish

2022. Novel dihydropyrimidinone derivatives as potential P-glycoprotein modulators. ACS Omega 7 (19) , pp. 16278-16287. 10.1021/acsomega.1c05839

Blackaby, William J. M., Harriman, Katie L. M., Greer, Samuel M., Folli, Andrea

, Hill, Stephen, Krewald, Vera, Mahon, Mary F., Murphy, Damien M.

, Murugesu, Muralee, Richards, Emma, Suturina, Elizaveta and Whittlesey, Michael K. 2022. Extreme g-Tensor anisotropy and its insensitivity to structural distortions in a family of linear two-coordinate Ni(I) Bis-N-heterocyclic carbene complexes. Inorganic Chemistry 61 (3) , pp. 1308-1315. 10.1021/acs.inorgchem.1c02413

Bolt, Robert R. A., Leitch, Jamie A., Jones, Andrew C., Nicholson, William I. and Browne, Duncan L. 2022. Continuous flow mechanochemistry: reactive extrusion as an enabling technology in organic synthesis. Chemical Society Reviews 51 (11) , pp. 4243-4260. 10.1039/D1CS00657F

Bonello, R. Owen, Pitak, Mateusz B., Tizzard, Graham J., Coles, Simon J., Fallis, Ian A.

2022. Aryl, bi-functionalised imidazo[4,5-f]-1,10-phenanthroline ligands and their luminescent rhenium(I) complexes. Polyhedron 228 , 116179. 10.1016/j.poly.2022.116179

Bowker, Michael

, Lawes, Naomi, Gow, Isla, Hayward, James, Esquius, Jonathan Ruiz, Richards, Nia, Smith, Louise R., Slater, Thomas J.A.

, Davies, Thomas E., Dummer, Nicholas F.

, Kabalan, Lara, Logsdail, Andrew

, Catlow, Richard C.

, Taylor, Stuart

2022. The critical role of βPdZn alloy in Pd/ZnO catalysts for the hydrogenation of carbon dioxide to methanol. ACS Catalysis 12 (9) , pp. 5371-5379. 10.1021/acscatal.2c00552

Bowker, Michael

, DeBeer, Serena, Dummer, Nicholas F.

, Scheffler, Matthias, Schüth, Ferdi, Taylor, Stuart H.

and Tüysüz, Harun 2022. Advancing critical chemical processes for a sustainable future: challenges for industry and the Max Planck-Cardiff centre on the fundamentals of heterogeneous catalysis (funcat). Angewandte Chemie International Edition 10.1002/anie.202209016

Bowker, Michael

, Holroyd, Richard and Perkins, Neil 2022. The catalytic reactivity of alloys; ethanol and formic acid decomposition on Cu-Pd(110). Journal of Physical Chemistry C 126 (37) , pp. 15703-15709. 10.1021/acs.jpcc.2c04881

Bowker, Michael

, O'Rourke, Christopher and Mills, Andrew 2022. The role of metal nanoparticles in promoting photocatalysis by TiO2. Topics in Current Chemistry 380 (3) , 17. 10.1007/s41061-022-00373-x

Bramley, Gabriel A., Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger and Skylaris, Chris-Kriton 2022. Understanding adsorption of organics on pt(111) in the aqueous phase: insights from dft based implicit solvent and statistical thermodynamics models. Journal of Chemical Theory and Computation 18 (3) , pp. 1849-1861. 10.1021/acs.jctc.1c00894

Branfoot, Callum, Pringle, Paul G., Pridmore, Natalie E., Young, Tom A. and Wass, Duncan F.

2022. Heterometathesis of diphosphanes (R2P–PR2) with dichalcogenides (R′E–ER′, E = O, S, Se, Te). Dalton Transactions 51 (22) , pp. 8906-8913. 10.1039/D2DT01093C

Brehm, Joseph, Lewis, Richard J., Morgan, David J.

, Davies, Thomas E. and Hutchings, Graham J.

2022. The direct synthesis of hydrogen peroxide over AuPd nanoparticles: an investigation into metal loading. Catalysis Letters 152 , pp. 254-262. 10.1007/s10562-021-03632-6

Brehm, Joseph, Lewis, Richard J., Richards, Thomas, Qin, Tian, Morgan, David J.

, Davies, Thomas E., Chen, Liwei, Liu, Xi and Hutchings, Graham J.

2022. Enhancing the Chemo-Enzymatic One-Pot Oxidation of Cyclohexane via in situ H2O2 production over supported Pd-based catalysts. ACS Catalysis 12 (19) , 11776–11789. 10.1021/acscatal.2c03051

Bryce, Richard A. and Platts, James A.

2022. From the archives: the origins of a society and a journal for the field of molecular graphics and modelling. Journal of Molecular Graphics and Modelling 117 , 108308. 10.1016/j.jmgm.2022.108308

Campisi, Sebastiano, Motta, Davide, Barlocco, Ilaria, Stones, Rebecca, Chamberlain, Thomas W., Chutia, Arunabhiram, Dimitratos, Nikolaos and Villa, Alberto 2022. Furfural adsorption and hydrogenation at the oxide-metal interface: evidence of the support influence on the selectivity of iridium-based catalysts. ChemCatChem 14 (6) , e202101700. 10.1002/cctc.202101700

Cardella, Davide 2022. Chemical synthesis of peptides and their biological applications as mitochondria-targeting chemotherapeutics. PhD Thesis, Cardiff University.
Item availability restricted.

Cardella, Davide, Deng, Wenjing, Luk, Louis Y. P.

and Tsai, Yu-Hsuan

2022. Effect of trimethine cyanine dye- and folate-conjugation on the in vitro biological activity of proapoptotic peptides. Biomolecules 12 (5) , 725. 10.3390/biom12050725

Carter, James H., Abdel-Mageed, Ali M., Zhou, Dan, Morgan, David J.

, Liu, Xi, Bansmann, Joachim, Chen, Shilong, Behm, R. Jürgen and Hutchings, Graham J.

2022. Reversible growth of gold nanoparticles in the low-temperature water-gas shift reaction. ACS Nano 16 , pp. 15197-15205. 10.1021/acsnano.2c06504

Cerasale, Daniel J., Ward, Dominic C. and Easun, Timothy L.

2022. MOFs in the time domain. Nature Reviews Chemistry 6 , pp. 9-30. 10.1038/s41570-021-00336-8

Chang, Zhou, Ren, Wenqing, Wang, Yucheng, Zhang, Jiawei, Liu, Xiaoteng and Xu, Chenxi 2022. A highly co-tolerant anode pt/ti3c2tx-cnt hybrid catalysts for pemfc. Electrocatalysis 14 , pp. 1-8. 10.1007/s12678-022-00768-w

Chaudhuri, Shayantan, Hall, Samuel J., Klein, Benedikt P., Walker, Marc, Logsdail, Andrew J.

, Macpherson, Julie V. and Maurer, Reinhard J. 2022. Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces. Communications Materials 3 (1) , 6. 10.1038/s43246-022-00228-4

Chávez-Sifontes, Marvin, García, Adrián, Sanchis, Rut, Furgeaud, Clarisse, Mayoral, Alvaro, Arenal, Raul, Morgan, David J.

, López, Jose Manuel, García, Tomás and Solsona, Benjamín 2022. The promoter effect of Nb species on the catalytic performance of Ir-based catalysts for VOCs total oxidation. Journal of Environmental Chemical Engineering 10 (5) , 108261. 10.1016/j.jece.2022.108261

Chen, Bao, Li, Xin, Rui, Peng, Ye, Yuewen, Ye, Tongqi, Zhou, Rulong, Li, Dongdong, Carter, James H. and Hutchings, Graham J.

2022. The reaction pathways of 5-hydroxymethylfurfural conversion in a continuous flow reactor using copper catalysts. Catalysis Science & Technology 12 (9) , pp. 3016-3027. 10.1039/D1CY02197D

Cheruiyot, Duncan, Chidawanyika, Frank, Midega, Charles A. O., Pittchar, Jimmy O., Pickett, John A.

and Khan, Zeyaur R. 2022. Field evaluation of a new third generation push-pull technology for control of striga weed, stemborers, and fall armyworm in western Kenya. Experimental Agriculture 57 (5-6) , pp. 301-315. 10.1017/S0014479721000260

Chong, Magdalene W. S., Argent, Stephen P., Moreau, Florian, Trenholme, William J. F., Morris, Christopher G., Lewis, William, Easun, Timothy L.

and Schröder, Martin 2022. A coordination network featuring two distinct copper(II) coordination environments for highly selective acetylene adsorption. Chemistry - A European Journal 28 (52) , e202201188. 10.1002/chem.202201188

Coles, Nathan T.

, Groth, Lucie J., Dettling, Lea, Frost, Daniel S., Rigo, Massimo, Neale, Samuel E. and Müller, Christian 2022. Triple dehydrofluorination as a route to amidine-functionalized, aromatic phosphorus heterocycles. Chemical Communications 58 (98) , pp. 13580-13583. 10.1039/D2CC05178H

Cooper, Anna, Golunski, Stan

2022. The effect of potassium inclusion in a silver catalyst for N2O-mediated oxidation of soot in oxidising exhaust gases. Catalysts 12 (7) , 753. 10.3390/catal12070753

Costa, Dora C. S., da S. M. Forezi, Luana, Lessa, Milena D., Delarmelina, Maicon

, Matuck, Beatriz V. A., Freitas, Maria Clara R., Ferreira, Vitor F., de C. Resende, Jackson A. L., de M. Carneiro, José Walkimar and de C. da Silva, Fernando 2022. A stereoselective, base-free, palladium-catalyzed heck coupling between 3-halo-1,4-naphthoquinones and vinyl-1H-1,2,3-triazoles. ChemistrySelect 7 (24) , e202201334. 10.1002/slct.202201334

Coulson, Ben A. and Hatcher, Lauren E.

2022. Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]. CrystEngComm 24 (20) , pp. 3701-3714. 10.1039/D2CE00213B

Craco, Luis and Leoni, Stefano

2022. Orbital selectivity in the normal state of KFe(2)Se(2) superconductor. European Physical Society Letters 136 (2) , 27002. 10.1209/0295-5075/ac3f16

Craco, L., de Arruda, A. S. and Leoni, S.

2022. Emergent normal-state Mottness in the infinite-layer NdNiO 2 superconductor. Physical Review Research 4 (4) , 043036. 10.1103/PhysRevResearch.4.043036

Crawley, James W. M., Gow, Isla E., Lawes, Naomi, Kowalec, Igor, Kabalan, Lara, Catlow, C. Richard A.

, Logsdail, Andrew J.

2022. Heterogeneous trimetallic nanoparticles as catalysts. Chemical Reviews 122 (6) , pp. 6795-6849. 10.1021/acs.chemrev.1c00493

Dambatta, Mubarak 2022. Exploring the borrowing hydrogen methodology using earth abundant metals. PhD Thesis, Cardiff University.
Item availability restricted.

Daniel, Isaac T., Zhao, Liang, Bethell, Donald, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Akdim, Ouardia, Morgan, David J.

, McIntosh, Steven and Hutchings, Graham J.

2022. Kinetic analysis to describe co-operative redox enhancement effects exhibited by bimetallic Au-Pd systems in aerobic oxidation. Catalysis Science & Technology 10.1039/D2CY01474B

Dasgupta, Ayan, Guerzoni, Michael G., Alotaibi, Nusaybah, van Ingen, Yara, Farshadfar, Kaveh, Richards, Emma

, Ariafard, Alireza and Melen, Rebecca L.

2022. Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids. Catalysis Science & Technology 12 (19) , pp. 5982-5990. 10.1039/D2CY01441F

Dasgupta, Ayan, Pahar, Sanjukta, Babaahmadi, Rasool, Gierlichs, Lukas, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L.

2022. Borane catalyzed selective diazo cross-coupling towards pyrazoles. Advanced Synthesis & Catalysis 364 (4) , pp. 773-780. 10.1002/adsc.202101312

Dasgupta, Ayan, Richards, Emma

2022. Triarylborane catalyzed carbene transfer reactions using diazo precursors. ACS Catalysis 12 , pp. 442-452. 10.1021/acscatal.1c04746

Dasgupta, Ayan, van Ingen, Yara, Guerzoni, Michael G., Farshadfar, Kaveh, Rawson, Jeremy M., Richards, Emma

, Ariafard, Alireza and Melen, Rebecca L.

2022. Lewis acid assisted Brønsted acid catalysed decarbonylation of Isocyanates: a combined DFT and experimental study. Chemistry - A European Journal 28 (45) , e202201422. 10.1002/chem.202201422

Dashti Najafi, Mohammad, Kowsari, Elaheh, Neekzad, Nariman, Ramakrishna, Seeram, Sarabadani Tafreshi, Saeedeh, Chinnappan, Amutha, Reza Naderi, Hamid and de Leeuw, Nora H.

2022. TMP/Pd complex immobilized on graphene oxide for efficient pseudocapacitive energy storage with combined experimental and DFT study. Journal of Molecular Liquids 364 , 120008. 10.1016/j.molliq.2022.120008

Dashti Najafi, Mohammad, Kowsari, Elaheh, Reza Naderi, Hamid, Sarabadani Tafreshi, Saeedeh, Chinnappan, Amutha, Ramakrishna, Seeram, de Leeuw, Nora H.

and Ehsani, Ali 2022. High-performance symmetric supercapacitor based on new functionalized graphene oxide composites with pyrimidine nucleotide and nucleoside. Journal of Molecular Liquids 348 , 118381. 10.1016/j.molliq.2021.118381

Davies, Thomas E., Li, He, Bessette, Stéphanie, Gauvin, Raynald, Patience, Gregory S. and Dummer, Nicholas F.

2022. Experimental methods in chemical engineering: Scanning electron microscopy and X-ray ultra-microscopy—SEM and XuM. Canadian Journal of Chemical Engineering 100 (11) , pp. 3145-3159. 10.1002/cjce.24405

Davies-Smith, Chay A., Steer, Julian M.

, Marsh, Richard

and Morgan, David

2022. A study of the volatilisation of coal sulphur during combustion under conditions similar to a blast furnace raceway. Fuel 330 , 125552. 10.1016/j.fuel.2022.125552

Davies, Philip R. Rosser

and Davies-Jones, Josh 2022. Photo induced Force Microscopy: chemical spectroscopy beyond the diffraction limit. Materials Chemistry Frontiers 6 (12) , pp. 1552-1573. 10.1039/D2QM00040G

Dedovets, Dmytro, Li, Qingyuan, Leclercq, Loïc, Nardello-Rataj, Veronique, Leng, Jacques, Zhao, Shuangliang and Pera-Titus, Marc 2022. Multiphase microreactors based on liquid-liquid and gas-liquid dispersions stabilized by colloidal catalytic particles. Angewandte Chemie International Edition 61 (4) , e202107537. 10.1002/anie.202107537

Dedovets, Dmytro, Zhang, Shi, Leng, Jacques and Pera Titus, Marc 2022. Microfluidic device for monitoring catalytic events on armored bubbles. Advanced Materials Interfaces 9 (23) , 2200759. 10.1002/admi.202200759

Del Vecchio, Antonio, Smallman, Harry R., Morvan, Jennifer, McBride, Tom, Browne, Duncan L.

and Mauduit, Marc 2022. Challenges arising from continuous-flow olefin metathesis. Angewandte Chemie International Edition 61 (47) , e202209564. 10.1002/anie.202209564

Delarmelina, Maicon

, Carneiro, José Walkimar de M., Catlow, C. Richard A.

and Bühl, Michael 2022. Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds. Catalysis Communications 162 , 106385. 10.1016/j.catcom.2021.106385

Delarmelina, Maicon

and Catlow, C. Richard A. 2022. Cation-doping strategies for tuning of zirconia acid?base properties. Royal Society Open Science 9 (2) , 211423. 10.1098/rsos.211423

Deyerling, Joel, Pörtner, Mathias, Dordevic, Luka, Riss, Alexander, Bonifazi, Davide

and Auwärter, Willi 2022. On-surface synthesis of rigid benzenoid- and nonbenzenoid-coupled porphyrin–graphene nanoribbon hybrids. Journal of Physical Chemistry C 126 (19) , 8467–8476. 10.1021/acs.jpcc.2c00912

Dosso, Jacopo

, Oubaha, Hamid, Fasano, Francesco, Melinte, Sorin, Gohy, Jean-François, Hughes, Colan E., Harris, Kenneth D. M.

, Demitri, Nicola, Abrami, Michela, Grassi, Mario and Bonifazi, Davide

2022. Boron nitride-doped polyphenylenic organogels. Chemistry of Materials 34 (23) , pp. 10670-10680. 10.1021/acs.chemmater.2c01766

Douthwaite, Mark, Zhang, Bin, Iqbal, Sarwat, Miedziak, Peter J., Bartley, Jonathan K.

2022. Transfer hydrogenation of methyl levulinate with methanol to gamma valerolactone over Cu-ZrO2: A sustainable approach to liquid fuels. Catalysis Communications 164 , 106430. 10.1016/j.catcom.2022.106430

Dummer, Nicholas F.

, Sodiq-Ajala, Zeenat, Morgan, David J.

and Davies, Thomas E. 2022. Investigating the preparation of Cu3Mo2O9 as a photocatalyst. Catalysis Communications 163 , 106414. 10.1016/j.catcom.2022.106414

Dwivedi, Bhavna, Mishra, Pawan K.

and Mishra, Vivek 2022. Chiral metal-organic frameworks for asymmetrical catalysis. Gulati, Shikha, ed. Metal-Organic Frameworks (MOFs) as Catalysts, Singapore: Springer, 493–513. (10.1007/978-981-16-7959-9_19)

Eaimsumang, Srisin, Chollacoop, Nuwong, Luengnaruemitchai, Apanee and Taylor, Stuart H.

2022. Relationship between hydrothermal temperatures and structural properties of CeO2 and enhanced catalytic activity of propene/toluene/CO oxidation by Au/CeO2 catalysts. Frontiers in Chemistry 10 , 959152. 10.3389/fchem.2022.959152

Edwards, Deborah

and Harden, Jane

2022. A rapid scoping review of harm reduction strategies for ecstasy (MDMA) users in recreational settings. [Online]. Research Square: Research Square. Available at: https://doi.org/10.21203/rs.3.rs-2178425/v1

Edwards, Miles Matthew 2022. Investigating rate enhancements in alpha-keto esters using cinchona and non-cinchona alkaloids. PhD Thesis, Cardiff University.

Item availability restricted.

Esmaili, Hamed, Kowsari, Elaheh, Sarabadani Tafreshi, Saeedeh, Ramakrishna, Seeram, de Leeuw, Nora H.

and Abdouss, Majid 2022. TiO2 nanoarrays modification by a novel Cobalt-heteroatom doped graphene complex for photoelectrochemical water splitting: An experimental and theoretical study. Journal of Molecular Liquids 356 , 118960. 10.1016/j.molliq.2022.118960

Fadhil, Marwa, Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2022. Synthesis and application of levofloxacin–tin complexes as new photostabilizers for polyvinyl chloride. Polymers 14 (18) , 3720. 10.3390/polym14183720

Fadhil, Marwa, Yousif, Emad, Ahmed, Dina S., Mohammed, Alaa, Hashim, Hassan, Ahmed, Ahmed, Kariuki, Benson M.

and El-Hiti, Gamal A. 2022. Synthesis of new Norfloxacin-Tin complexes to mitigate the effect of ultraviolet-visible irradiation in polyvinyl chloride films. Polymers 14 (14) , 2812. 10.3390/polym14142812

Fang, Jia-Yi, Zheng, Qi-Zheng, Lou, Yao-Yin, Zhao, Kuang-Min, Hu, Sheng-Nan, Li, Guang, Akdim, Ouardia, Huang, Xiao-Yang and Sun, Shi-Gang 2022. Ampere-level current density ammonia electrochemical synthesis using CuCo nanosheets simulating nitrite reductase bifunctional nature. Nature Communications 13 (1) , 7899. 10.1038/s41467-022-35533-6

Fang, Zhongwei, Xu, Chenxi, Zhang, Xiaole, Wang, Yucheng, Xiao, Tao, Wang, Ling

, Chen, Mei and Liu, Xiaoteng 2022. MXene (Ti3C2Tx)-Supported Binary Co-, Zn-Doped Carbonas Oxygen Reduction Reaction Catalyst for Anion Exchange Membrane Fuel Cells. Energy Technology 10 (5) , 2101168. 10.1002/ente.202101168

Farkas, Barbara and de Leeuw, Nora H.

2022. AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT. Physical Chemistry Chemical Physics 24 (17) , pp. 10451-10464. 10.1039/D2CP00648K

Farkas, Barbara, Živković, Aleksandar

, Uahengo, Veikko, Dzade, Nelson Y.

2022. First-principles DFT insights into the stabilization of zinc diphosphide (ZnP2) nanocrystals via surface functionalization by 4-aminothiophenol for photovoltaic applications. ACS Applied Energy Materials 5 (2) , pp. 2318-2328. 10.1021/acsaem.1c03804

Faulkner, Christopher and de Leeuw, Nora H.

2022. In silico studies of the interactions between propofol and fentanyl using Gaussian accelerated molecular dynamics. Journal of Biomolecular Structure and Dynamics 40 (1) , pp. 312-324. 10.1080/07391102.2020.1814415

Fawazy, Nehmedo G., Panda, Siva S., Mostafa, Ahmed, Kariuki, Benson M.

, Bekheit, Mohamed S., Moatasim, Yassmin, Kutkat, Omnia, Fayad, Walid, El-Manawaty, May A., Soliman, Ahmed A. F., El-Shiekh, Riham A., Srour, Aladdin M., Barghash, Reham F. and Girgis, Adel S. 2022. Development of spiro-3-indolin-2-one containing compounds of antiproliferative and anti-SARS-CoV-2 properties. Scientific Reports 12 (1) , 13880. 10.1038/s41598-022-17883-9

Fayek, Menna, Ebrahim, Hassan Y., Elsayed, Heba E., Abdel-Aziz, Mohamed S., Kariuki, Benson M.

and Moharram, Fatma A. 2022. Anti-prostate cancer metabolites from the soil-derived Aspergillus neoniveus. Frontiers in Pharmacology 13 , 1006062. 10.3389/fphar.2022.1006062

Feng, Andong, Dedovets, Dmytro, Gu, Yunjiao, Zhang, Shi, Sha, Jin, Han, Xia and Pera Titus, Marc 2022. Organic foams stabilized by Biphenyl-bridged organosilica particles. Journal of Colloid and Interface Science 617 , pp. 171-181. 10.1016/j.jcis.2022.02.034

Feng, Andong, Dedovets, Dmytro, Zhang, Shi, Sha, Jin, Schwiedernoch, Renate, Gao, Jie, Gu, Yunjiao and Pera Titus, Marc 2022. Foams stabilized by Aquivion TM PFSA: Application to interfacial catalysis for cascade reactions. Advanced Materials Interfaces , 2200380. 10.1002/admi.202200380

Fernández, Yolanda, Movellan, Julie, Foradada, Laia, Giménez, Vanessa, García-Aranda, Natalia, Mancilla, Sandra, Armiñán, Ana, Borgos, Sven Even, Hyldbakk, Astrid, Bogdanska, Anna, Gobbo, Oliviero L., Prina-Mello, Adriele, Ponti, Jessica, Calzolai, Luigi, Zagorodko, Oleksandr, Gallon, Elena, Niño-Pariente, Amaya, Paul, Alison

, Schwartz, Simó, Abasolo, Ibane and Vicent, María J. 2022. In vivo Antitumor and ametastatic efficacy of a polyacetal-based paclitaxel conjugate for prostate cancer therapy. Advanced Healthcare Materials 11 (7) , 2101544. 10.1002/adhm.202101544

Fitzgerald, Sophie A., Xiao, Xiao, Zhao, Jianzhang, Horton, Peter N., Coles, Simon J., Knighton, Richard C., Ward, Benjamin D.

2022. Organometallic platinum(ii) photosensitisers that demonstrate ligand‐modulated triplet‐triplet annihilation energy upconversion efficiencies. Chemistry - A European Journal , e202203241. 10.1002/chem.202203241

Flack, Timothy, Jobbins, Samuel A., Boulfelfel, Salah Eddine and Leoni, Stefano

2022. Many-particle Li Ion dynamics in LiMPO4 olivine phosphates (M = Mn, Fe). Journal of Physical Chemistry C 126 (30) , pp. 12339-12347. 10.1021/acs.jpcc.2c02013

Fletcher-Charles, Jack 2022. Synthesis and prototyping of coloured electrochromic inks for displays and applications. PhD Thesis, Cardiff University.
Item availability restricted.

Fletcher-Charles, Jack, Ferreira, Rúben R., Abraham, Michael, Romito, Deborah, Oppel, Markus, González, Leticia and Bonifazi, Davide

2022. Oxygen-Doped PAH Electrochromes: Difurano, Dipyrano, and Furano-Pyrano Containing Naphthalene-Cored Molecules. European Journal of Organic Chemistry 2 , e202101166. 10.1002/ejoc.202101166

Fortunato, Guilherme V., Pizzutilo, Enrico, Katsounaros, Ioannis, Göhl, Daniel, Lewis, Richard J., Mayrhofer, Karl J. J., Hutchings, Graham. J.

, Freakley, Simon J. and Ledendecker, Marc 2022. Analysing the relationship between the fields of thermo- and electrocatalysis taking hydrogen peroxide as a case study. Nature Communications 13 , 1973. 10.1038/s41467-022-29536-6

Francis, Samantha, Boucher, Alexandre, Jones, Glenn and Roldan, Alberto

2022. Ostwald ripening microkinetic simulation of Au clusters on MgO(0 0 1). Applied Surface Science 572 , 151317. 10.1016/j.apsusc.2021.151317

Fuchs, Lorenz K., Holland, Alistair H., Ludlow, Richard A., Coates, Ryan J., Armstrong, Harvey, Pickett, John A.

, Harwood, John L.

and Scofield, Simon

2022. Genetic manipulation of biosynthetic pathways in mint. Frontiers in Plant Science 13 , 928178. 10.3389/fpls.2022.928178

Galmés, Miquel À., Nodling, Alexander R., He, Kaining, Luk, Louis Y. P.

, Swiderek, Katarzyna and Moliner, Vicent 2022. Computational design of an amidase by combining the best electrostatic features of two promiscuous hydrolases. Chemical Science 13 (17) , pp. 4779-4787. 10.1039/D2SC00778A

Garcia Millan, Teodoro, Swift, Thomas, Morgan, David John

, Harniman, Robert L, Masheder, Benjamin, Hughes, Stephen, Davis, Sean A, Oliver, Tom and Galan, M. Carmen 2022. Small variations in reaction conditions tunes carbon dot fluorescence. Nanoscale 14 (18) , pp. 6930-6940. 10.1039/D2NR01306A

Gendron, Thibault, Destro, Gianluca, Straathof, Natan J. W, Sap, Jeroen B. I, Guibbal, Florian, Vriamont, Charles, Caygill, Claire, Atack, John

, Watkins, Andrew, Marshall, Christopher

, Hueting, Rebekka, Warnier, Corentin, Gouverneur, Veronique and Tredwell, Matthew

2022. Multi‐patient dose synthesis of [18F] Flumazenil via a copper‐mediated 18F‐fluorination. EJNMMI Radiopharmacy and Chemistry 7 , 5. 10.1186/s41181-022-00158-z

Ghanim, Amany M., Girgis, Adel S., Kariuki, Benson M.

, Samir, Nermin, Said, Mona F., Abdelnaser, Anwar, Nasr, Soad, Bekheit, Mohamed S., Abdelhameed, Mohamed F., Almalki, Ahmad J., Ibrahim, Tarek S. and Panda, Siva S. 2022. Design and synthesis of ibuprofen-quinoline conjugates as potential anti-inflammatory and analgesic drug candidates. Bioorganic Chemistry 119 , 105557. 10.1016/j.bioorg.2021.105557

Gierlichs, Lukas James 2022. A brief exploration of early main group element materials and their properties. PhD Thesis, Cardiff University.
Item availability restricted.

Gökce, Halil, Sen, Fatih, Sert, Yusuf, Abdel-Wahab, Bakr F., Kariuki, Benson M.

and El-Hiti, Gamal A. 2022. Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N?-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. Molecules 27 (7) , 2193. 10.3390/molecules27072193

Gorbunov, Vitaly A., Uliankina, Anastasiia I., Stishenko, Pavel V. and Myshlyavtsev, Alexander V. 2022. Metal-organic coordination networks on a titanium carbide MXene: DFT based grand canonical Monte Carlo simulation. Applied Surface Science 598 , 153834. 10.1016/j.apsusc.2022.153834

Guerzoni, Michael G., Dasgupta, Ayan, Richards, Emma

2022. Enantioselective applications of frustrated Lewis pairs in organic synthesis. Chem Catalysis 2 (11) , pp. 2865-2875. 10.1016/j.checat.2022.09.007

Guerzoni, Michael G., van Ingen, Yara and Melen, Rebecca L.

2022. Recent applications of fluorinated arylborane derivatives. Perez, Pedro J., ed. Advances in Organometallic Chemistry, Vol. 78. Academic Press, pp. 133-187. (10.1016/bs.adomc.2022.03.004)

Guest, Claire, Dewhirst, Sarah Y., Lindsay, Steve W., Allen, David J., Aziz, Sophie, Baerenbold, Oliver, Bradley, John, Chabildas, Unnati, Chen-Hussey, Vanessa, Clifford, Samuel, Cottis, Luke, Dennehy, Jessica, Foley, Erin, Gezan, Salvador A., Gibson, Tim, Greaves, Courtenay K., Kleinschmidt, Immo, Lambert, Sébastien, Last, Anna, Morant, Steve, Parker, Josephine E.A., Pickett, John

, Quilty, Billy J., Rooney, Ann, Shah, Manil, Somerville, Mark, Squires, Chelci, Walker, Martin and Logan, James G. 2022. Using trained dogs and organic semi-conducting sensors to identify asymptomatic and mild SARS-CoV-2 infections: an observational study. Journal of Travel Medicine 29 (3) , taac043. 10.1093/jtm/taac043

Hareram, Mishra Deepak, El Gehani, Albara A. M. A., Harnedy, James, Seastram, Alex C., Jones, Andrew C., Burns, Matthew, Wirth, Thomas

, Browne, Duncan L. and Morrill, Louis C.

2022. Electrochemical deconstructive functionalization of cycloalkanols via alkoxy radicals enabled by proton-coupled Electron transfer. Organic Letters 24 (21) , pp. 3890-3895. 10.1021/acs.orglett.2c01552

Harris, Kenneth D. M.

2022. Circumventing a challenging aspect of crystal structure determination from powder diffraction data. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 78 (2) , pp. 96-99. 10.1107/S2052520622003717

Harris, Kenneth D. M.

2022. NMR crystallography as a vital tool in assisting crystal structure determination from powder XRD data. Crystals 12 (9) , 1277. 10.3390/cryst12091277

Hatcher, Lauren E.

, Saunders, Lucy K. and Coulson, Ben A. 2022. Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2. Faraday Discussions 10.1039/d2fd00158f

Hatcher, Lauren E.

, Warren, Mark R., Skelton, Jonathan M., Pallipurath, Anuradha R., Saunders, Lucy K., Allan, David R., Hathaway, Paul, Crevatin, Giulio, Omar, David, Williams, Ben H., Coulson, Ben A., Wilson, Chick C. and Raithby, Paul R. 2022. LED-pump-X-ray-multiprobe crystallography for sub-second timescales. Communications Chemistry 5 (1) , 102. 10.1038/s42004-022-00716-1

Hawkins, Bryson A., Najib, Elias, Du, Jonathan J., Lai, Felcia, Platts, James A.

, Groundwater, Paul W. and Hibbs, David E. 2022. Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach. Physical Chemistry Chemical Physics 24 (21) , pp. 13015-13025. 10.1039/D2CP01235A

Hawkins, Bryson A., Du, Jonathan J., Lai, Felcia, Stanton, Stephen A., Williams, Peter A., Groundwater, Paul W., Platts, James A.

, Overgaard, Jacob and Hibbs, David E. 2022. An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization. RSC Advances 12 (25) , 15670. 10.1039/D1RA08389A

Hayes, Heather 2022. Investigating the effects of cyclisation on a protein tool and a biocatalyst. PhD Thesis, Cardiff University.
Item availability restricted.

Hernández-Soto, M.C., Erigoni, A., Segarra, C., Rey, F., Díaz, U., Gianotti, E., Miletto, I. and Pera Titus, M. 2022. Bifunctional hybrid organosiliceous catalysts for aldol condensation - hydrogenation tandem reactions of furfural in continuous-flow reactor. Applied Catalysis A: General 643 , 118710. 10.1016/j.apcata.2022.118710

Hesselmann, Andreas, Werner, Hans-Joachim and Knowles, Peter J.

2022. Thermochemical evaluation of adaptive and fixed density functional theory quadrature schemes. The Journal of Chemical Physics 157 (23) , 234106. 10.1063/5.0119622

Huang, Xiaoyang, Akdim, Ouardia, Douthwaite, Mark, Wang, Kai, Zhao, Liang, Lewis, Richard J., Pattisson, Samuel, Daniel, Isaac T., Miedziak, Peter J., Shaw, Greg, Morgan, David J.

, Althahban, Sultan M., Davies, Thomas E., He, Qian

, Wang, Fei, Fu, Jile, Bethell, Donald, McIntosh, Steven, Kiely, Christopher J. and Hutchings, Graham J.

2022. Au-Pd separation enhances bimetallic catalysis of alcohol oxidation. Nature 603 , pp. 271-275. 10.1038/s41586-022-04397-7

Hutchings, Graham J.

, Davies, Philip R., Pattisson, Samuel, Davies, Thomas E., Morgan, David J.

and Dlamini, Mbongiseni W. 2022. Facile synthesis of a porous 3D g-C3N4 photocatalyst for the degradation of organics in shale gas brines. Catalysis Communications 169 , 106480. 10.1016/j.catcom.2022.106480

Inoue, Shigeyoshi, Melen, Rebecca L.

and Harder, Sjoerd 2022. Main Group Catalysis. European Journal of Inorganic Chemistry 2022 (26) , e202200414. 10.1002/ejic.202200414

Islam, Mazharul M.

2022. Green development in the era of the fourth industrial revolution: Lessons from the Developed World. Hossain, Moazzem, Ahmad, Qazi Kholiquzzaman and Islam, Mazharul M., eds. Towards a Sustainable Economy: The Case of Bangladesh, Routledge Studies in Development Economics, London: Routledge | Taylor & Francis Group, pp. 191-212.

Ivachnova, Karina 2022. A chimie douce approach to defunctionalizing carbon materials. MPhil Thesis, Cardiff University.
Item availability restricted.

Jiang, Zeyu, Tian, Mingjiao, Jing, Meizan, Chai, Shouning, Jian, Yanfei, Chen, Changwei, Douthwaite, Mark, Zheng, Lirong, Ma, Mudi, Song, Weiyu, Liu, Jian, Yu, Jiaguo and He, Chi 2022. Modulating the electronic metal-support interactions in single-atom Pt1−CuO catalyst for boosting acetone oxidation. Angewandte Chemie International Edition 61 (28) , e202200763. 10.1002/anie.202200763

Jones, Andrew C., Williams, Matthew T. J., Morrill, Louis C.

and Browne, Duncan L.

2022. Mechanical activation of zero-valent metal reductants for nickel-catalyzed cross-electrophile coupling. ACS Catalysis 12 (21) , pp. 13681-13689. 10.1021/acscatal.2c03117

Jones, Andrew 2022. The application of mechanochemical techniques towards organic synthesis and catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Kaehler, Tanja, Lorenz, Jonas, Ould, Darren M. C., Engl, Dorothea, Santi, Micol, Gierlichs, Lukas, Wirth, Thomas

2022. Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters. Organic and Biomolecular Chemistry 20 (21) , pp. 4298-4302. 10.1039/D2OB00643J

Kariuki, Benson M.

, Abdel-Wahab, Bakr F., Bekheit, Mohamed S. and El-Hiti, Gamal A. 2022. Intermolecular interactions of 3,5-bis(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide in a cocrystal with 1,3-bis(4-Methoxyphenyl)prop-2-en-1-one and dimethylformamide solvate. Crystals 12 (5) , 663. 10.3390/cryst12050663

Kariuki, Benson M.

, Abdel-Wahab, Bakr F., Bekheit, Mohamed S. and El-Hiti, Gamal A. 2022. (Z)-2-(1-(5-Methyl-1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)ethylidene)-N-phenylhydrazine-1-carbothioamide. Molbank 2022 (4) , M1462. 10.3390/m1462

Kariuki, Benson M.

, Abdel-Wahab, Bakr F., Mohamed, Hanan A., Bekheit, Mohamed S. and El-Hiti, Gamal A.

2022. Synthesis and characterization of novel 2-(1,2,3-triazol-4-yl)-4,5-dihydro-1 h -pyrazol-1-yl)thiazoles and 2-(4,5-dihydro-1 h -pyrazol-1-yl)-4-(1 h -1,2,3-triazol-4-yl)thiazoles. Molecules 27 (24) , 8904. 10.3390/molecules27248904

Kariuki, Benson M.

, Abdel-Wahab, Bakr F., Mohamed, Hanan A. and El-Hiti, Gamal A.

2022. Synthesis and structure determination of 2-cyano-3-(1-phenyl-3-(thiophen-2-yl)-1 H -pyrazol-4-yl)acrylamide. Molbank 2022 (2) , eM1372. 10.3390/m1372

Kariuki, Benson M.

, Abdel-Wahab, Bakr F., Mohamed, Hanan A. and El-Hiti, Gamal A.

2022. ( E )-1-(5-methyl-1-(4-nitrophenyl)-1 H -1,2,3-triazol-4-yl)-3-(naphthalen-2-yl)prop-2-en-1-one. Molbank 2022 (4) , M1464. 10.3390/m1464

Kaußler, Clemens, Wragg, Darren, Schmidt, Claudia, Moreno-Alcántar, Guillermo, Jandl, Christian, Stephan, Johannes, Fischer, Roland A., Leoni, Stefano

, Casini, Angela and Bonsignore, Riccardo 2022. "Dynamical docking" of cyclic dinuclear au(i) bis-n-heterocyclic complexes facilitates their binding to g-quadruplexes. Inorganic Chemistry 61 (50) , 20405. 10.1021/acs.inorgchem.2c03041

Kayumova, T. R., Myshlyavtsev, A. V. and Stishenko, P. V. 2022. Phase diagrams of the terminating oxygen layer on MXenes M2CO sheets (M = Ti, V, Nb). Journal of Physics: Conference Series 2182 (1) , 012075. 10.1088/1742-6596/2182/1/012075

Kayumova, Tatyana R., Kolganov, Ilay P., Myshlyavtsev, Alexander V., Stishenko, Pavel V. and Fadeeva, Anastasiia I. 2022. Surface hydrogenation of oxygen terminated MXenes M2CO2 (M = Ti, V, Nb). Surface Science 717 , 121984. 10.1016/j.susc.2021.121984

Keal, Thomas, Elena, Alin-Marin, Stoneham, Karen, Probert, Matt, Cucinotta, Clotilde, Logsdail, Andrew

, Zen, Andrea, Hasnip, Phil, Bush, Ian, Watkins, Matthew, Alfe, Dario, Skylaris, Chris-Kriton, Curchod, Basile, Cai, Qiong and Woodley, Scott 2022. Materials and molecular modelling at the Exascale. Computing in Science and Engineering 24 (1) , pp. 36-45. 10.1109/MCSE.2022.3141328

Kennedy-Britten, Oliver 2022. A computational study of interactions between amyloid-β and transition metals via molecular dynamics. PhD Thesis, Cardiff University.

Item availability restricted.

Khan, Alveena Z., Alitt, Jacob, Germaney, Rhiannon, Hamada, Ikutaro, Wells, Peter P., Dimitratos, Nikolaos, Catlow, C. Richard A.

, Villa, Alberto and Chutia, Arunabhiram 2022. A comparative study on the stability of the furfural molecule on the low index Ni, Pd and Pt surfaces. Royal Society Open Science 9 (3) , 211516. 10.1098/rsos.211516

Khan, Nasim, Itaya, Katsunori and Wirth, Thomas

2022. Chiral iodotriptycenes: Synthesis and catalytic applications. ChemistryOpen 11 (7) , e202200145. 10.1002/open.202200145

Khan, Nasim, Itaya, Katsunori and Wirth, Thomas

2022. Chiral iodotriptycenes: synthesis and catalytic applications. ChemistryOpen 11 (8) , e202200158. 10.1002/open.202200158

Knowles, Peter J.

2022. Perturbation-adapted perturbation theory. The Journal of Chemical Physics 156 , 011101. 10.1063/5.0079853

Knowles, Peter J.

2022. The determination of point groups from imprecise molecular geometries. Journal of Mathematical Chemistry 60 , pp. 161-171. 10.1007/s10910-021-01302-x

Ko, Myohwa, Kim, Yongseon, Woo, Jinwoo, Lee, Boreum, Mehrotra, Rashmi, Sharma, Pankaj

, Kim, Jinjong, Hwang, Seon Woo, Jeong, Hu Young, Lim, Hankwon, Joo, Sang Hoon, Jang, Ji-Wook and Kwak, Ja Hun 2022. Direct propylene epoxidation with oxygen using a photo-electro-heterogeneous catalytic system. Nature Catalysis 5 (1) , 37–44. 10.1038/s41929-021-00724-9

Kovačič, Dávid 2022. Direct synthesis of hydrogen peroxide using monometallic and bimetallic Pd based catalysts supported on TiO2. PhD Thesis, Cardiff University.
Item availability restricted.

Kowalec, Igor, Kabalan, Lara, Catlow, C. Richard A.

2022. A computational study of direct CO2 hydrogenation to methanol on Pd surfaces. Physical Chemistry Chemical Physics 24 (16) , pp. 9360-9373. 10.1039/D2CP01019D

Kumar, S. Ashok, Jarvin, M., Inbanathan, S.S.R., Umar, Ahmad, Lalla, N.P., Dzade, Nelson Y.

, Algadi, Hassan, Rahman, Qazi Inamur and Baskoutas, Sotirios 2022. Facile green synthesis of magnesium oxide nanoparticles using tea (Camellia sinensis) extract for efficient photocatalytic degradation of methylene blue dye. Environmental Technology and Innovation 28 , 102746. 10.1016/j.eti.2022.102746

Kustiana, Betty 2022. Borane-promoted C(sp3)−H hydride abstraction. PhD Thesis, Cardiff University.
Item availability restricted.

Kustiana, Betty A., Elsherbeni, Salma A., Linford‐Wood, Thomas G., Melen, Rebecca L.

, Grayson, Matthew N. and Morrill, Louis C.

2022. B(C 6 F 5 ) 3 ‐Catalyzed E ‐selective isomerization of alkenes. Chemistry - A European Journal , e202202454. 10.1002/chem.202202454

Kustiana, Betty A., Melen, Rebecca L.

2022. One-pot synthesis of styrene derivatives from allyl silanes via b(c6f5)3-catalyzed isomerization-Hiyama coupling. Organic Letters 24 (47) , pp. 8694-8697. 10.1021/acs.orglett.2c03584

Kuveke, Rupert E. H., Barwise, Lachlan, van Ingen, Yara, Vashisth, Kanika, Roberts, Nicholas, Chitnis, Saurabh S., Dutton, Jason L., Martin, Caleb D. and Melen, Rebecca L.

2022. An international study evaluating elemental analysis. ACS Central Science 8 (7) , pp. 855-863. 10.1021/acscentsci.2c00325

Lahiri, Abhishek, Lakshya, Annu Kumar, Guan, Shaoliang, Anguilano, Lorna and Chowdhury, Anirban 2022. Impact of different metallic forms of nickel on hydrogen evolution reaction. Scripta Materialia 218 , 114829. 10.1016/j.scriptamat.2022.114829

Lan, Lan, Chen, Huanhao, Lee, Daniel, Xu, Shaojun, Skillen, Nathan, Tedstone, Aleksander, Robertson, Peter, Garforth, Arthur, Daly, Helen, Hardacre, Christopher and Fan, Xiaolei 2022. Effect of ball-milling pretreatment of cellulose on Its photoreforming for H2 production. ACS Sustainable Chemistry and Engineering 10 (15) , pp. 4862-4871. 10.1021/acssuschemeng.1c07301

Lander, Alexander 2022. D-protein and D-peptide technology in applied research. PhD Thesis, Cardiff University.
Item availability restricted.

Lander, Alexander J., Jin, Yi

2022. D‐peptide and d‐protein technology: recent advances, challenges, and opportunities. ChemBioChem , e202200537. 10.1002/cbic.202200537

Latham, Daniel 2022. Exploring new directions in homogeneous catalytic (De)hydrogenation chemistry. PhD Thesis, Cardiff University.
Item availability restricted.

Lawes, Naomi, Gow, Isla, Smith, Louise R., Aggett, Kieran, Hayward, James, Kabalan, Lara, Logsdail, Andrew J

, Slater, Thomas

, Dearg, Malcolm, Morgan, David John

, Catlow, Richard

2022. Methanol synthesis from CO2 and H2 using supported Pd alloy catalysts. Faraday Discussions 10.1039/D2FD00119E

Lewis, Richard J., Ueura, Kenji, Fukuta, Yukimasa, Davies, Thomas E., Morgan, David J.

, Paris, Charlie, Singleton, James, Edwards, Jennifer. K.

, Freakley, Simon J., Yamamoto, Yasushi and Hutchings, Graham J.

2022. Cyclohexanone ammoximation via in situ H2O2 production using TS-1 supported catalysts. Green Chemistry 24 , pp. 9496-9507. 10.1039/D2GC02689A

Lewis, Richard J., Ueura, Kenji, Liu, Xi, Fukuta, Yukimasa, Davies, Thomas E., Morgan, David J.

, Chen, Liwei, Qi, Jizhen, Singleton, James, Edwards, Jennifer. K.

, Freakley, Simon J., Kiely, Christopher J., Yamamoto, Yasushi and Hutchings, Graham J.

2022. Highly efficient catalytic production of oximes from ketones using in situ–generated H2O2. Science 376 (6593) , pp. 615-620. 10.1126/science.abl4822

Lewis, Richard J., Koy, Maximilian, Macino, Margherita, Das, Mowpriya, Carter, James H., Morgan, David J.

, Davies, Thomas E., Ernst, Johannes B., Freakley, Simon J., Glorius, Frank and Hutchings, Graham J.

2022. N-heterocyclic carbene modified palladium catalysts for the direct synthesis of hydrogen peroxide. Journal of the American Chemical Society 144 (34) , pp. 15431-15436. 10.1021/jacs.2c04828

Lezcano-González, Inés, Cong, Peixi, Campbell, Emma, Panchal, Monik, Agote-Arán, Miren, Celorrio, Verónica, He, Qian

, Oord, Ramon, Weckhuysen, Bert M. and Beale, Andrew M. 2022. Structure-activity relationships in highly active Platinum-Tin MFI-type Zeolite catalysts for propane dehydrogenation. ChemCatChem 14 (7) , e202101828. 10.1002/cctc.202101828

Li, Simin, Lu, Xiuyuan, Zhao, Siqi, Ceccato, Marcel, Hu, Xin-Ming, Roldan, Alberto

, Liu, Min and Daasbjerg, Kim 2022. p-block indium single-atom catalyst with low-coordinated In–N motif for enhanced electrochemical CO2 reduction. ACS Catalysis 12 (12) , 7386–7395. 10.1021/acscatal.2c01805

Li, Lili, Kang, Xinchen, He, Meng, Sheveleva, Alena, Hu, Kui, Xu, Shaojun, Zhou, Yiqi, Chen, Jin, Sapchenko, Sergei, Whitehead, George, Vitorica-Yrezabal, Iñigo J., Lopez-Odriozola, Laura, Natrajan, Louise S., McInnes, Eric J. L., Schröder, Martin, Yang, Sihai and Tuna, Floriana 2022. Evolution of bismuth-based metal?organic frameworks for efficient electroreduction of CO2. Journal of Materials Chemistry A: materials for energy and sustainability 10 (34) , pp. 17801-17807. 10.1039/D2TA04485D

Lin, Jinxiong, Coles, Nathan T.

, Dettling, Lea, Steiner, Luca, Witte, J. Felix, Paulus, Beate and Müller, Christian 2022. Phospholenes from phosphabenzenes by selective ring contraction. Chemistry - A European Journal 28 (72) , e202203406. 10.1002/chem.202203406

Lin, Jinxiong, Wossidlo, Friedrich, Coles, Nathan T.

, Weber, Manuela, Steinhauer, Simon, Böttcher, Tobias and Müller, Christian 2022. Borane adducts of aromatic phosphorus heterocycles: synthesis, crystallographic characterization and reactivity of a phosphinine‐B(C6F5)3 lewis pair. Chemistry - A European Journal 28 (7) , e202104135. 10.1002/chem.202104135

Liu, Taifeng, Zhang, Xingfan, Guan, Jingcheng, Catlow, C. Richard A.

, Walsh, Aron, Sokol, Alexey A. and Buckeridge, John 2022. Insight into the Fergusonite–Scheelite phase transition of ABO4-type oxides by density functional theory: a case study of the subtleties of the ground state of BiVO4. Chemistry of Materials 34 (12) , 5334–5343. 10.1021/acs.chemmater.1c04417

Lu, Shun, Wang, Yucheng, Xiang, Hang, Lei, Hanhui, Xu, Ben Bin, Xing, Lei, Yu, Eileen Hao and Liu, Terence Xiaoteng 2022. Mass transfer effect to electrochemical reduction of CO2: Electrode, electrocatalyst and electrolyte. Journal of Energy Storage 52 , 104764. 10.1016/j.est.2022.104764

Lu, Xiuyuan 2022. H2 production: Formulation of catalysts promoting the decomposition of carbon-free hydrogen carriers. PhD Thesis, Cardiff University.
Item availability restricted.

Ma, Yujie, Lu, Wanpeng, Han, Xue, Chen, Yinlin, da Silva, Ivan, Lee, Daniel, Sheveleva, Alena M., Wang, Zi, Li, Jiangnan, Li, Weiyao, Fan, Mengtian, Xu, Shaojun, Tuna, Floriana, McInnes, Eric J. L., Cheng, Yongqiang, Rudi?, Svemir, Manuel, Pascal, Frogley, Mark D., Ramirez-Cuesta, Anibal J., Schröder, Martin and Yang, Sihai 2022. Direct observation of ammonia storage in UiO-66 incorporating Cu(II) binding sites. Journal of the American Chemical Society 144 (19) , pp. 8624-8632. 10.1021/jacs.2c00952

Magri, Giuseppina, Folli, Andrea

2022. Monitoring the substrate-induced spin-state distribution in a Cobalt(II)-Salen complex by EPR and DFT. European Journal of Inorganic Chemistry 2022 (9) , e202101071. 10.1002/ejic.202101071

Maidich, Luca, Pilo, Maria I., Rourke, Jonathan P.

, Clarkson, Guy J., Canu, Patrizia, Stoccoro, Sergio and Zucca, Antonio 2022. Classical vs. Non-classical cyclometalated pt(ii) complexes. Molecules 27 (21) , 7249. 10.3390/molecules27217249

Makgae, Ofentse A., Phaahlamohlaka, Tumelo N., Yao, Benzhen, Schuster, Manfred E., Slater, Thomas J. A.

, Edwards, Peter P., Coville, Neil J., Liberti, Emanuela and Kirkland, Angus I. 2022. Atomic structure and valence state of cobalt nanocrystals on carbon under syngas versus hydrogen reduction. Journal of Physical Chemistry C 126 (14) , pp. 6325-6333. 10.1021/acs.jpcc.2c00482

Mali, Sawanta S., Patil, Jyoti V., Rondiya, Sachin R., Dzade, Nelson Y.

, Steele, Julian A., Nazeeruddin, Mohammad Khaja, Patil, Pramod S. and Hong, Chang Kook 2022. Terbium-doped and dual-passivated γ-CsPb(I1−x Brx )3 inorganic perovskite solar cells with improved air thermal stability and high efficiency. Advanced Materials 34 (29) , 2203204. 10.1002/adma.202203204

Mandal, Soumen

, Shaw, Greg and Williams, Oliver A.

2022. Comparison of nanodiamond coated quartz filter with commercial electropositive filters: Zeta potential and dye retention study. Carbon 199 , pp. 439-443. 10.1016/j.carbon.2022.08.021

Mandal, Subrata, Nanavati, Sachin P.

and Ananthakrishnan, Rajakumar 2022. Band gap engineering of amine functionalized Ag(I)-based coordination polymers and their plasmonic Ag0 coupled novel visible light driven photo-redox system for selective oxidation of benzyl alcohol. Applied Catalysis B: Environmental 303 , 120821. 10.1016/j.apcatb.2021.120821

Mathuri, Ashis, Pramanik, Milan and Mal, Prasenjit 2022. 3-arylsulfonylquinolines from n-propargylamines via cascaded oxidative sulfonylation using dabso. The Journal of Organic Chemistry 87 (10) , pp. 6812-6823. 10.1021/acs.joc.2c00499

Maunder, Rhodri 2022. Disposable nappies to fine chemicals. PhD Thesis, Cardiff University.
Item availability restricted.

McLaren, Rachel L., da Costa, Rosenildo C., Booth, Anna C., Morgan, David J.

, Laycock, Christian J., Warwick, Michael E. A. and Owen, Gareth R. 2022. Oleophobic coated composite materials based on multi-layer graphitic scaffolding: applications within aircraft propellant tanks and oil-spill clean-up †. Molecular Systems Design & Engineering 10.1039/d2me00197g

McLaren, Rachel L., Owen, Gareth R. and Morgan, David J.

2022. Analysis induced reduction of a polyelectrolyte. Results in Surfaces and Interfaces 6 , 100032. 10.1016/j.rsurfi.2021.100032

Meng, Fanhui, Wang, Lina, Li, Xin, Perdjon, Michal

and Li, Zhong 2022. Mesoporous nano Ni-Al2O3 catalyst for CO2 methanation in a continuously stirred tank reactor. Catalysis Communications 164 , 106437. 10.1016/j.catcom.2022.106437

Mensah, Mary, Tia, Richard, Adei, Evans and De Leeuw, Nora H.

2022. A DFT mechanistic study on base-catalyzed cleavage of the β-o-4 ether linkage in lignin: implications for selective lignin depolymerization. Frontiers in Chemistry 10 , 793759. 10.3389/fchem.2022.793759

Miedziak, Peter J., Pattisson, Samuel, Edwards, Jennifer K.

, Tarbit, Brian, Taylor, Stuart H.

2022. The over-riding role of autocatalysis in alllylic oxidation. Catalysis Letters 152 , pp. 1003-1008. 10.1007/s10562-021-03707-4

Miletto, Ivana, Meazza, Marta, Paul, Geo, Cossi, Maurizio, Gianotti, Enrica, Marchese, Leonardo, Rios, Ramon, Pera Titus, Marc and Raja, Robert 2022. Influence of pore size in benzoin condensation of furfural using heterogenized benzimidazole organocatalysts. Chemistry - A European Journal 28 (72) , e202202771. 10.1002/chem.202202771

Minova, Ivalina B., Bühl, Michael, Matam, Santhosh K., Catlow, C. Richard A., Frogley, Mark D., Cinque, Gianfelice, Wright, Paul A. and Howe, Russell F. 2022. Carbene-like reactivity of methoxy groups in a single crystal SAPO-34 MTO catalyst. Catalysis Science & Technology 12 (7) , pp. 2289-2305. 10.1039/D1CY02361F

Moeini, Behnam, Linford, Matthew R., Fairley, Neal, Barlow, Anders, Cumpson, Peter, Morgan, David

, Fernandez, Vincent and Baltrusaitis, Jonas 2022. Definition of a new (Doniach-Sunjic-Shirley) peak shape for fitting asymmetric signals applied to reduced graphene oxide/graphene oxide XPS spectra. Surface and Interface Analysis 54 (1) , pp. 67-77. 10.1002/sia.7021

Mohamed, Hanan A., Abdel-Wahab, Bakr F., Sabry, Eman, Kariuki, Benson M.

and El-Hiti, Gamal A.

2022. Synthesis and antimicrobial activity of 2,5-bis(Pyrazol-3-yl or Triazol-4-yl)-1,3,4-oxadiazoles. Heterocycles 104 (7) , pp. 1293-1302. 10.3987/COM-22-14676

Mohamed-Ezzat, Reham A., Kariuki, Benson M.

and Azzam, Rasha A. 2022. Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide. IUCrData 7 (11) , x221033. 10.1107/S2414314622010331

Monteleone, Marcello, Fuoco, Alessio, Esposito, Elisa, Rose, Ian, Chen, Jie, Comesaña-Gándara, Bibiana, Bezzu, C. Grazia, Carta, Mariolino, McKeown, Neil B., Shalygin, Maxim G., Teplyakov, Vladimir V. and Jansen, Johannes Carolus 2022. Advanced methods for analysis of mixed gas diffusion in polymeric membranes. Journal of Membrane Science 648 , 120356. 10.1016/j.memsci.2022.120356

Mordue (Luntz), A. J., Pino-Marambio, J. and Pickett, John A.

2022. Semiochemical tools for the management of sea lice. Treasurer, Jim, Bricknell, Ian and Bron, James, eds. Sea Lice Biology and Control, European Association of Fish Pathologists (EAFP), 5M Books Ltd, pp. 109-133.

Morteo Flores, Fabian 2022. Catalysts design for biomass conversion. PhD Thesis, Cardiff University.
Item availability restricted.

Morteo Flores, Fabian and Roldan Martinez, Alberto

2022. Mechanisms and trends of guaiacol hydrodeoxygenation on transition metal catalysts. Frontiers in Catalysis 2 , 861364. 10.3389/fctls.2022.861364

Morteo-Flores, Fabian and Roldan, Alberto 2022. The effect of pristine and hydroxylated oxide surfaces on the guaiacol HDO process: A DFT study. ChemPhysChem 23 (1) , e202100583. 10.1002/cphc.202100583

Mugford, Karl S. 2022. Gas-phase conversion of glycerol to methanol over magnesium oxide catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Murtaza, Ayesha, Qamar, Muhammad Awais, Saleem, Kaynat, Hardwick, Tomas, ul haq, Zia, Shirinfar, Bahareh and Ahmed, Nisar

2022. Renewable electricity enables green routes to fine chemicals and pharmaceuticals. Chemical Record 22 (5) , e202100296. 10.1002/tcr.202100296

Naoom, Noor, Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M.

and El-Hiti, Gamal A.

2022. Synthesis of methyldopa–tin complexes and their applicability as photostabilizers for the protection of polyvinyl chloride against photolysis. Polymers 14 (21) , 4590. 10.3390/polym14214590

Navar, Ricardo, Tarantino, Giulia, Beynon, Owain T.

, Padovan, Daniele, Botti, Luca, Gibson, Emma K., Wells, Peter Philip, Owens, Alun, Kondrat, Simon, Logsdail, Andrew J.

and Hammond, Ceri 2022. Tracking the solid-state incorporation of Sn into the framework of dealuminated zeolite beta, and consequences for catalyst design. Journal of Materials Chemistry A: materials for energy and sustainability 2022 (10) , pp. 22025-22041. 10.1039/D2TA03837D

Nieva de la Hidalga, Abraham

, Decarolis, Donato, Xu, Shaojun, Matam, Santhosh, Enciso, Willinton Yesid Hernández, Goodall, Josephine, Matthews, Brian and Catlow, C. Richard A.

2022. A workflow demonstrator for processing catalysis research data. Data Intelligence 4 (2) , pp. 455-470. 10.1162/dint_a_00143

Nieva de la Hidalga, Abraham

, Goodall, Josephine, Anyika, Corinne, Matthews, Brian and Catlow, C. Richard A.

2022. Designing a data infrastructure for catalysis science aligned to FAIR data principles. Catalysis Communications 162 , 106384. 10.1016/j.catcom.2021.106384

Nieva de la Hidalga, Abraham

, Goodall, Josephine, Catlow, Richard

, Anyka, Corinne and Matthews, Brian 2022. A portal for indexing distributed FAIR digital objects for catalysis research. Research Ideas and Outcomes 8 , e95770. 10.3897/rio.8.e95770

Nieva De La Hidalga, Abraham

, Rosin, Paul

, Sun, Xianfang

, Livermore, Laurence, Durran, James, Turner, James, Dillen, Mathias, Musson, Alicia, Phillips, Sarah, Groom, Quentin and Hardisty, Alex

2022. Cross-validation of a semantic segmentation net-work for natural history collection specimens. Machine Vision and Applications 33 , 39. 10.1007/s00138-022-01276-z

Nolla-Saltiel, R., Geer, A.M., Sharpe, H.R., Huke, C.D., Taylor, L.J., Linford-Wood, T.G., James, A., Allen, J., Lewis, W., Blake, A.J., McMaster, J. and Kays, D.L.

2022. Organoruthenium complexes containing hemilabile phosphinodicarboxamide ligands. [Online]. ChemRxiv: Available at: https://doi.org/10.26434/chemrxiv-2022-37ncj

Nyepetsi, Maipelo, Mbaiwa, Foster, Oyetunji, Olayinka A. and de Leeuw, Nora H.

2022. Understanding the interactions between triolein and cosolvent binary mixtures using molecular dynamics simulations. ACS Omega 7 (12) , 10212–10224. 10.1021/acsomega.1c06762

O'Neill, Matthew F., Meenakshisundaram, Sankar

and Hintermair, Ulrich 2022. Sustainable synthesis of dimethyl- and diethyl carbonate from CO2 in batch and continuous flow─lessons from thermodynamics and the importance of catalyst stability. ACS Sustainable Chemistry and Engineering 10 (16) , 5243–5257. 10.1021/acssuschemeng.2c00291

Ortiz-Roldan, Jose M., Balestra, Salvador R. G., Bueno-Perez, Rocio, Calero, Sofía, Garcia-Perez, Elena, Catlow, C. Richard A.

, Ruiz-Salvador, A. Rabdel and Hamad, Said 2022. Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 478 (2266) , 20220201. 10.1098/rspa.2022.0201

Ososki, Genevieve 2022. Optimising spin-coated titanium dioxide photocatalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Osypiw, Alexander, Lee, Sanghyo, Jung, Sung-Min, Leoni, Stefano

, Smowton, Peter

, Hou, Bo

, Kim, Jong Min and Amaratunga, Gehan A. J. 2022. Solution-processed colloidal quantum dots for light emission. Materials Advances 3 , pp. 6773-6790. 10.1039/D2MA00375A

Pandit, Bidhan, Goda, Emad S., Abu Elella, Mahmoud H., ur Rehman, Aafaq, Eun Hong, Sang, Rondiya, Sachin R., Barkataki, Pranay, Shaikh, Shoyebmohamad F., Al-Enizi, Abdullah M., El-Bahy, Salah M. and Ro Yoon, Kuk 2022. One-pot hydrothermal preparation of hierarchical manganese oxide nanorods for high-performance symmetric supercapacitors. Journal of Energy Chemistry 65 , pp. 116-126. 10.1016/j.jechem.2021.05.028

Paris, Charlie B., Howe, Alexander G., Lewis, Richard James, Hewes, Daniel, Morgan, David J.

, He, Qian and Edwards, Jennifer K.

2022. Impact of the experimental parameters on catalytic activity when preparing polymer protected bimetallic nanoparticle catalysts on activated carbon. ACS Catalysis 12 , 4440–4454. 10.1021/acscatal.1c05904

Pascoe, M. J.

, Mandal, S.

, Williams, O. A.

and Maillard, J. -Y.

2022. Impact of material properties in determining quaternary ammonium compound adsorption and wipe product efficacy against biofilms. Journal of Hospital Infection 126 , pp. 37-43. 10.1016/j.jhin.2022.03.013

Pascoe, Michael

, Radley, Sarah, Simmons, Henry and Measham, Fiona 2022. The Cathinone Hydra: Increased cathinone and caffeine adulteration in the English MDMA market after Brexit and COVID-19 lockdowns. Drug Science, Policy and Law 10.1177/20503245221099209

Patabandi Mudiyanselage, Anuradha 2022. Computational studies of the initial stages in TiO2-MOF interface formation. MPhil Thesis, Cardiff University.

Item availability restricted.

Patra, Tuhin and Wirth, Thomas

2022. Oxidative cleavage of alkenes by photosensitized nitroarenes. Angewandte Chemie International Edition 61 (47) , e202213772. 10.1002/anie.202213772

Pattisson, Samuel, Dawson, Simon R., Malta, Grazia, Dummer, Nicholas F.

, Smith, Louise R., Lazaridou, Anna, Morgan, David J.

, Freakley, Simon J., Kondrat, Simon A., Smit, Joost J., Johnston, Peter and Hutchings, Graham J.

2022. Lowering the operating temperature of gold acetylene hydrochlorination catalysts using oxidized carbon supports. ACS Catalysis 12 , 14086–14095. 10.1021/acscatal.2c04242

Peng, Gongming, Humblot, Anaelle, Wischert, Raphael, Vigier, Karine De Oliveira, Pera-Titus, Marc and Jérôme, François 2022. Heterogeneously-catalyzed competitive hydroarylation/hydromination of norbornene with aniline in the presence of Aquivion® ionomer. Molecular Catalysis 525 , 112368. 10.1016/j.mcat.2022.112368

Petrov, Andrey, Conrad, Lawrence, Coles, Nathan T.

, Weber, Manuela, Andrae, Dirk, Zagidullin, Almaz, Miluykov, Vasili and Müller, Christian 2022. Reactivity of sodium pentaphospholide Na[cyclo‐P5] towards C≡E (E=C, N, P) triple bonds. Chemistry - A European Journal 28 (67) , e202203056. 10.1002/chem.202203056

Pickett, John A.

2022. Independent evolution of the iridoid biosynthetic pathway in plants and insects. Proceedings of the National Academy of Sciences 119 (48) 10.1073/pnas.2216444119

Pinsk, Noam, Wagner, Avital, Cohen, Lilian, Smalley, Christopher J. H., Hughes, Colan E., Zhang, Gan, Pavan, Mariela J., Casati, Nicola, Jantschke, Anne, Goobes, Gil, Harris, Kenneth D. M.

and Palmer, Benjamin A. 2022. Biogenic guanine crystals are solid solutions of guanine and other purine metabolites. Journal of the American Chemical Society 144 (11) , pp. 5180-5189. 10.1021/jacs.2c00724

Pokhrel, Tamlal, B. K., Bijaya, Giri, Ramesh, Adhikari, Achyut and Ahmed, Nisar

2022. C-H bond functionalization under electrochemical flow conditions. Chemical Record 22 (6) , e202100338. 10.1002/tcr.202100338

Pradhan, Tapas R.

and Kyoon Park, Jin 2022. Chemoselective coupling of π-systems to access metallated 1,4- or 1,5-skipped dienes in multicomponent reactions. Chemistry - A European Journal 28 (69) , e202202120. 10.1002/chem.202202120

Pradhan, Tapas R.

, Paudel, Mukti, Feoktistova, Taisiia, Cheong, Paul Ha-Yeon and Park, Jin Kyoon 2022. Silaborative assembly of allenamides and alkynes: highly regio- and stereocontrolled access to bi- or trimetallic skipped dienes. Angewandte Chemie International Edition 61 (17) , e202116154. 10.1002/anie.202116154

Pradhan, Tapas R.

, Paudel, Mukti, Feoktistova, Taisiia, Cheong, Paul Ha?Yeon and Park, Jin Kyoon 2022. Silaborative assembly of allenamides and alkynes: highly regio- and stereocontrolled access to bi- or trimetallic skipped dienes. Angewandte Chemie 134 (17) , e202116154. 10.1002/ange.202116154

Pramanik, Milan and Mal, Prasenjit 2022. C-S Bonds via C-H Functionalization. Maiti, Debabrata, ed. Handbook of CH-Functionalization, Wiley‐VCH GmbH, (10.1002/9783527834242.chf0206)

Pramanik, Milan, Mathuri, Ashis and Mal, Prasenjit 2022. tBuOLi-promoted terminal alkyne functionalizations by aliphatic thiols and alcohols. Organic and Biomolecular Chemistry 20 (13) , pp. 2671-2680. 10.1039/D2OB00079B

Pudge, Geoffrey J. F., Hutchings, Graham J.

, Kondrat, Simon A., Morrison, Kate, Perkins, Eleanor F., Rushby, Alice V. and Bartley, Jonathan K.

2022. Iron molybdate catalysts synthesised via dicarboxylate decomposition for the partial oxidation of methanol to formaldehyde. Catalysis Science & Technology 12 , pp. 4552-4560. 10.1039/D2CY00699E

Qi, Guodong, Davies, Thomas E., Nasrallah, Ali, Sainna, Mala A., Howe, Alexander G. R., Lewis, Richard J., Quesne, Matthew, Catlow, C. Richard A., Willock, David J.

, He, Qian, Bethell, Donald, Howard, Mark J., Murrer, Barry A., Harrison, Brian, Kiely, Christopher J., Zhao, Xingling, Deng, Feng, Xu, Jun and Hutchings, Graham J.

2022. Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2. Nature Catalysis 5 10.1038/s41929-021-00725-8

Qiu, Chengwu, Odarchenko, Yaroslav, Meng, Qingwei, Xu, Shaojun, Lezcano-Gonzalez, Ines, Olalde-Velasco, Paul, Maccherozzi, Francesco, Zanetti-Domingues, Laura, Martin-Fernandez, Marisa and Beale, Andrew M. 2022. Resolving the effect of oxygen vacancies on Co nanostructures using soft XAS/X-PEEM. ACS Catalysis 12 (15) , 9125–9134. 10.1021/acscatal.2c00611

Rhys, Guto G., Cross, Jessica A., Dawson, William M., Thompson, Harry F., Shanmugaratnam, Sooruban, Savery, Nigel J., Dodding, Mark P., Höcker, Birte and Woolfson, Derek N. 2022. De novo designed peptides for cellular delivery and subcellular localisation. Nature Chemical Biology 18 (9) , pp. 999-1004. 10.1038/s41589-022-01076-6

Richards, Thomas 2022. The application of heterogenous supported catalysts for the treatment of greywater via in-situ generated H2O2. PhD Thesis, Cardiff University.
Item availability restricted.

Richards, David P., Patel, Rohit N., Duce, Ian R., Khambay, Bhupinder P. S., Birkett, Michael A., Pickett, John A.

and Mellor, Ian R. 2022. (−)-adaline from the adalia genus of ladybirds is a potent antagonist of insect and specific mammalian nicotinic acetylcholine receptors. Molecules 27 (20) , 7074. 10.3390/molecules27207074

Richards, Nia, Parker, Luke A., Carter, James H., Pattisson, Samuel, Morgan, David J.

, Golunski, Stanislaw E.

2022. Effect of the preparation method of LaSrCoFeOx perovskites on the activity of N2O decomposition. Catalysis Letters 152 , pp. 213-226. 10.1007/s10562-021-03619-3

Rogers, Hannah, Daniel, Isaac T. and Freakley, Simon J. 2022. Acceptorless dehydrogenation of 1-phenylethanol using Pd/TiO2 catalysts prepared by sol immobilisation. Catalysis Communications 162 , 106377. 10.1016/j.catcom.2021.106377

Rokade, Avinash, Jadhav, Yogesh, Jathar, Sagar, Rahane, Swati, Barma, Sunil, Rahane, Ganesh, Thawarkar, Sachin, Vairale, Priti, Punde, Ashvini, Shah, Shruti, Rondiya, Sachin R., Dzade, Nelson Y.

, Pandit, Bidhan, Pawar, Jayant, Roy, Anurag and Jadkar, Sandesh 2022. Realization of electrochemically grown a-Fe2O3 thin films for photoelectrochemical water splitting application. Engineered Science 17 , pp. 242-255. 10.30919/es8d532

Romartinez-Alonso, Beatriz, Agostini, Maura, Jones, Heulyn, McLellan, Jayde, Sood, Deepali, Tomkinson, Nicholas, Marelli, Federica, Gentile, Ilaria, Visser, W. Edward, Schoenmakers, Erik, Fairall, Louise, Privalsky, Martin, Moran, Carla, Persani, Luca, Chatterjee, Krishna and Schwabe, John 2022. Structure-guided approach to relieving transcriptional repression inResistance to Thyroid Hormone α. Molecular and Cellular Biology 42 (2) , e00363-21. 10.1128/MCB.00363-21

Rondiya, Sachin R., Jadhav, Yogesh A., Živković, Aleksandar, Jathar, Sagar B., Rahane, Ganesh K., Cross, Russell W., Rokade, Avinash V., Devan, Rupesh S., Kolekar, Sadhu, Hoye, Robert L.Z., Ghosh, Hirendra N., de Leeuw, Nora H.

, Jadkar, Sandesh R. and Dzadezade, Nelson 2022. Solution-processed Cd-substituted CZTS nanocrystals for sensitized liquid junction solar cells. Journal of Alloys and Compounds 890 , 161575. 10.1016/j.jallcom.2021.161575

Rundle, Jordan 2022. Intrinsic and extrinsic reduction of SnX tin chalcogenide (X=S, Se) lattice thermal conductivity through heterostructure layering. PhD Thesis, Cardiff University.
Item availability restricted.

Rundle, Jordan and Leoni, Stefano

2022. Layered tin chalcogenides SnS and SnSe: lattice thermal conductivity benchmarks and thermoelectric figure of merit. Journal of Physical Chemistry C 126 (33) , 14036–14046. 10.1021/acs.jpcc.2c02401

Ryník, Marián, Leoni, Stefano

and Martonák, Roman 2022. Pressure-induced structural transformation of clathrate Ge136 via ultrafast recrystallization of an amorphous intermediate. Physical Review B 105 (13) , 134107. 10.1103/PhysRevB.105.134107

Sabry, Eman, Mohamed, Hanan A., Ewies, Ewies F., Kariuki, Benson M.

, Darwesh, Osama M. and Bekheit, Mohamed S. 2022. Microwave-assisted synthesis of novel sulfonamide-based compounds bearing α-aminophosphonate and their antimicrobial properties. Journal of Molecular Structure 1266 , 133553. 10.1016/j.molstruc.2022.133553

Sachito, Douglas and Gonzaga De Oliveira, Luciana 2022. Unveiling the bacterial sesquiterpenome of streptomyces sp. CBMAI 2042 discloses cyclases with versatile performances. Journal of the Brazilian Chemical Society 33 (7) , pp. 734-742. 10.21577/0103-5053.20220013

Saleh, Taiseer A., Al-Tikrity, Emaad T. B., Ahmed, Dina S., El-Hiti, Gamal A.

, Yaseen, Anaheed A., Ahmed, Ahmed and Yousif, Emad 2022. Monitoring physicochemical properties of transparent PVC films containing captopril and metal oxide nanoparticles to assess UV blocking. Journal of Polymer Research 29 (6) , 249. 10.1007/s10965-022-03097-0

Santos, Alba, Lewis, Richard J., Morgan, David J.

, Davies, Thomas E., Hampton, Euan, Gaskin, Paul and Hutchings, Graham J.

2022. The oxidative degradation of phenol via in situ H2O2 synthesis using Pd supported Fe-modified ZSM-5 catalysts. Catalysis Science & Technology 12 (9) , pp. 2943-2953. 10.1039/D2CY00283C

Santos Gomes, Bárbara, Morgan, David J.

, Langbein, Wolfgang

, Borri, Paola

and Masia, Francesco

2022. Biofunctionalisation of gallium arsenide with neutravidin. Journal of Colloid and Interface Science 608 (P3) , pp. 2399-2406. 10.1016/j.jcis.2021.10.135

Santos Hernandez, Alba 2022. Direct synthesis of H2O2 at ambient conditions and its applicability for water treatment with Fenton’s catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Sap, Jeroen B. I., Meyer, Claudio F., Ford, Joseph, Straathof, Natan J. W., Dürr, Alexander B., Lelos, Mariah J.

, Paisey, Stephen J., Mollner, Tim A., Hell, Sandrine M., Trabanco, Andrés A., Genicot, Christophe, am Ende, Christopher W., Paton, Robert S., Tredwell, Matthew

and Gouverneur, Véronique 2022. [18F]Difluorocarbene for Positron Emission Tomography. Nature 606 , pp. 102-108. 10.1038/s41586-022-04669-2

Sarabadani Tafreshi, Saeedeh, Ranjbar, Mahkameh, Taghizade, Narges, Panahi, S. F. K. S., Jamaati, Maryam and De Leeuw, Nora H.

2022. A first-principles study of CO2 hydrogenation on a Niobium-Terminated NbC (111) surface. ChemPhysChem 23 (6) , e202100781. 10.1002/cphc.202100781

Sarkar, Chitra, Paul, Ratul, Dao, Duy Quang, Xu, Shaojun, Chatterjee, Rupak, Shit, Subhash Chandra, Bhaumik, Asim and Mondal, John 2022. Unlocking molecular secrets in a monomer-assembly-promoted Zn-metalated catalytic porous organic polymer for light-responsive CO2 insertion. ACS Applied Materials and Interfaces 14 (33) , pp. 37620-37636. 10.1021/acsami.2c06982

Sau, Sudip, Pramanik, Milan, Bal, Ankita and Mal, Prasenjit 2022. Reported catalytic hydrofunctionalizations that proceed in the absence of catalysts: The importance of control experiments. The Chemical Record 22 (2) , e202100208. 10.1002/tcr.202100208

Saud, Zack, Tyrrell, Victoria J., Zaragkoulias, Andreas, Protty, Majd B., Statkute, Evelina, Rubina, Anzelika, Bentley, Kirsten

, White, Daniel A., Dos Santos Rodrigues, Patricia, Murphy, Robert C., Köfeler, Harald, Griffiths, William J., Alvarez-Jarreta, Jorge, Brown, Richard William, Newcombe, Robert G.

, Heyman, James, Pritchard, Manon

, Mcleod, Robert W. J., Arya, Arvind, Lynch, Ceri-Ann, Owens, David, Jenkins, P. Vince, Buurma, Niklaas J.

, O'Donnell, Valerie B.

, Thomas, David W.

and Stanton, Richard J.

2022. The SARS-CoV2 envelope differs from host cells, exposes pro-coagulant lipids, and is disrupted in vivo by oral rinses. Journal of Lipid Research 63 (6) , 100208. 10.1016/j.jlr.2022.100208

Sawicka, Natalia, Craze, Chloe J., Horton, Peter N., Coles, Simon J., Richards, Emma

2022. Long-lived, near-IR emission from Cr(iii) under ambient conditions. Chemical Communications 58 (38) , pp. 5733-5736. 10.1039/D2CC01434C

Sayers, Edward J.

, Barlow, Victoria L., Tsai, Yu-Hsuan

and Jones, Arwyn T.

2022. Quantitative subcellular analysis of cyclic cell-penetrating peptide EJP18 in nonadherent cells. Cell Penetrating Peptides, Vol. 2383. Methods in Molecular Biology book series, Springer, pp. 211-228. (10.1007/978-1-0716-1752-6_14)

Schiesser, Stefan, Hajek, Peter, Pople, Huw E., Käck, Helena, Öster, Linda and Cox, Rhona J. 2022. Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors. European Journal of Medicinal Chemistry 227 , 113925. 10.1016/j.ejmech.2021.113925

Seastram, Alex 2022. Investigations into the development of new methodologies for organic electrochemistry. PhD Thesis, Cardiff University.
Item availability restricted.

Seastram, Alex C., Hareram, Mishra Deepak, Knight, Thomas M. B. and Morrill, Louis C.

2022. Electrochemical alkene azidocyanation via 1,4-nitrile migration. Chemical Communications 58 , pp. 8658-8661. 10.1039/D2CC02958H

Seitz, Jakob 2022. Electroorganic chemistry as a green synthesis methodology. PhD Thesis, Cardiff University.

Item availability restricted.

Selli, Daniele, Baburin, Igor A., Martonák, Roman and Leoni, Stefano

2022. Ge136 type-II clathrate as precursor for the synthesis of metastable germanium polymorphs: a computational study. Physical Review B 106 (17) , 174102. 10.1103/PhysRevB.106.174102

Selli, Daniele, Donadio, Davide and Leoni, Stefano

2022. PbTe/PbSe thermoelectric nanocomposites: the impact of length modulations on lowering thermal conductivity. Journal of Inorganic and General Chemistry 648 (15) , e202200048. 10.1002/zaac.202200048

Selvakumar, Karuppiah, Duraisamy, Velu, Venkateshwaran, Selvaraj, Arumugam, Natarajan, Almansour, Abdulrahman I., Wang, Yucheng, Xiaoteng Liu, Terence and Murugesan Senthil Kumar, Sakkarapalayam 2022. Development of α-mno2 nanowire with ni- and (ni, co)-cation doping as an efficient bifunctional oxygen evolution and oxygen reduction reaction catalyst. ChemElectroChem 9 (2) , e202101303. 10.1002/celc.202101303

Serpi, Michaela

, Ferrari, Valentina

, McGuigan, Christopher

, Ghazaly, Essam and Pepper, Chris 2022. Synthesis and characterization of nuc-7738, an aryloxy phosphoramidate of 3?-deoxyadenosine, as a potential anticancer agent. Journal of Medicinal Chemistry 65 (23) , pp. 15789-15804. 10.1021/acs.jmedchem.2c01348

Sharma, Pankaj

, Slater, Thomas J. A.

, Sharma, Monika, Bowker, Michael

2022. Enhanced H2O2 production via photocatalytic O2 reduction over structurally-modified poly(heptazine imide). Chemistry of Materials 34 (12) , pp. 5511-5521. 10.1021/acs.chemmater.2c00528

Shaw, Matthew S., Bates, Morgan R., Jones, Matthew D. and Ward, Benjamin D.

2022. Metallocene catalysts for the ring-opening co-polymerisation of epoxides and cyclic anhydrides. Polymer Chemistry 13 (22) , pp. 3315-3324. 10.1039/D2PY00335J

Showering, Alicia, Martinez, Julien, Benavente, Ernest Diez, Gezan, Salvador A., Jones, Robert T., Oke, Catherine, Tytheridge, Scott, Pretorius, Elizabeth, Scott, Darren, Allen, Rachel L., D'Alessandro, Umberto, Lindsay, Steve W., Armour, John A. L., Pickett, John

and Logan, James G. 2022. Skin microbiome alters attractiveness to Anopheles mosquitoes. BMC Microbiology 22 , 98. 10.1186/s12866-022-02502-4

Silveri, Fabrizio, Quesne, Matthew G., Viñes, Francesc, Illas, Francesc, Catlow, C. Richard A.

2022. Catalytic reduction of carbon dioxide on the (001), (011), and (111) surfaces of TiC and ZrC: a computational study. Journal of Physical Chemistry C 126 (11) , 5138–5150. 10.1021/acs.jpcc.1c10180

Singh, Fateh V., Shetgaonkar, Samata E., Krishnan, Manjula and Wirth, Thomas

2022. Progress in organocatalysis with hypervalent iodine catalysts. Chemical Society Reviews 51 (18) , pp. 8102-8139. 10.1039/D2CS00206J

Smalley, Christopher 2022. Developing structure determination from powder X-ray diffraction data for applications in molecular organic materials. PhD Thesis, Cardiff University.
Item availability restricted.

Smalley, Christopher J. H., Logsdail, Andrew J.

, Hughes, Colan E., Iuga, Dinu, Young, Mark T.

and Harris, Kenneth D. M.

2022. Solid-state structural properties of alloxazine determined from powder XRD data in conjunction with DFT-D calculations and solid-state NMR spectroscopy: unraveling the tautomeric identity and pathways for tautomeric interconversion. Crystal Growth and Design 22 (1) , pp. 524-534. 10.1021/acs.cgd.1c01114

Smalley, Christopher, Hoskyns, Harriet E., Hughes, Colan E, Johnstone, Duncan N., Willhammar, Tom, Young, Mark T.

, Pickard, Chris J., Logsdail, Andrew J.

, Midgley, Paul and Harris, Kenneth D. M.

2022. A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of L-tyrosine. Chemical Science 13 (18) , pp. 5277-5288. 10.1039/D1SC06467C

Smallwood, Zoe M., Spencer-Briggs, Jenna L., Xia Sean, Xiaoye, Ward, Michael D. and Hyde, Julie 2022. Design and delivery of a graduate teaching assistant (GTA) program in a UK university: experiences and perspectives. Journal of Chemical Education 99 (2) , 592–602. 10.1021/acs.jchemed.1c00453

Smith, Gareth 2022. Modified folates for selective delivery into cancer cells. PhD Thesis, Cardiff University.
Item availability restricted.

Smith, Keith and El-Hiti, Gamal A. 2022. Commercially important chlorinated phenols. [Online]. Scholarly Community Encyclopedia. Available at: https://encyclopedia.pub/14154

Smith, Louise R., Douthwaite, Mark, Mugford, Karl, Dummer, Nicholas F.

2022. Recent advances on the valorization of glycerol into alcohols. Energies 15 (17) , e6250. 10.3390/en15176250

Smith, Keith, Al-Khalaf, Alaa K. H., Akar, Kıymet Berkil, Kariuki, Benson M.

and El-Hiti, Gamal A. 2022. Polybromination of naphthalene using bromine over a montmorillonite clay and regioselective synthesis of 2,6-dibromonaphthalene. ARKIVOC 2022 (5) , pp. 46-59. 10.24820/ark.5550190.p011.717

Soldatova, Natalia S., Postnikov, Pavel S., Ivanov, Daniil M., Semyonov, Oleg V., Kukurina, Olga S., Guselnikova, Olga, Yamauchi, Yusuke, Wirth, Thomas

, Zhdankin, Viktor V., Yusubov, Mekhman S., Gomila, Rosa M., Frontera, Antonio, Resnati, Giuseppe and Kukushkin, Vadim Yu. 2022. Zwitterionic iodonium species afford halogen bond-based porous organic frameworks. Chemical Science 13 (19) , pp. 5650-5658. 10.1039/D2SC00892K

Spear, Luke A., Huang, Yang, Chen, Jinghao, Nödling, Alexander R., Virdee, Satpal and Tsai, Yu-Hsuan

2022. Selective inhibition of cysteine-dependent enzymes by bioorthogonal tethering. Journal of Molecular Biology 434 , 167524. 10.1016/j.jmb.2022.167524

Stewart, Jack, Fuchs, Martin, Payne, Jack, Driscoll, Oliver, Kociok-Köhn, Gabrielle, Ward, Benjamin D.

, Herres-Pawlis, Sonja and Jones, Matthew D. 2022. Simple Zn(ii) complexes for the production and degradation of polyesters. RSC Advances 12 (3) , pp. 1416-1424. 10.1039/D1RA09087A

Sun, Jia 2022. Microwave-assisted heterogeneous catalysis of propene selective oxidation. PhD Thesis, Cardiff University.
Item availability restricted.

Sun, Shuzhuang, Sun, Hongman, Guan, Shaoliang, Xu, Shaojun and Wu, Chunfei 2022. Integrated CO2 capture and methanation on Ru/CeO2-MgO combined materials: Morphology effect from CeO2 support. Fuel 317 , 123420. 10.1016/j.fuel.2022.123420

Sun, Shuzhuang, Zhang, Chen, Guan, Shaoliang, Xu, Shaojun, Williams, Paul T. and Wu, Chunfei 2022. Ni/support-CaO bifunctional combined materials for integrated CO2 capture and reverse water-gas shift reaction: Influence of different supports. Separation and Purification Technology 298 , 121604. 10.1016/j.seppur.2022.121604

Sun, Songmei, Dummer, Nicholas F.

, Bere, Takudzwa, Barnes, Alexandra J., Shaw, Greg, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Richards, Nia, Morgan, David J.

2022. Selective oxidation of methane to methanol and methyl hydroperoxide over palladium modified MoO3 photocatalyst under ambient conditions. Catalysis Science & Technology 12 (11) , pp. 3727-3736. 10.1039/D2CY00240J

Tariq, Anisa 2022. Conversion of CO2 to fuels using supported Cu catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Taylor, Rebekah L., Housley, Duncan, Barter, Michael

, Porch, Adrian

, Whiston, Keith, Folli, Andrea

2022. The influence of solvent composition on the coordination environment of the Co/Mn/Br based para-xylene oxidation catalyst as revealed by EPR and ESEEM spectroscopy. Catalysis Science & Technology 12 , pp. 5274-5280. 10.1039/D2CY00496H

Taylor, Stuart

, Carter, James, Dummer, Nicholas

, Nasrallah, Ali, Willock, David

2022. Selective oxidation of methane to oxygenates using heterogeneous catalysts. Li, Landong and Hargreaves, Justin, eds. Heterogeneous Catalysis for Sustainable Energy, Weinheim: Wiley, pp. 183-203.

Thomas, Bria 2022. Novel colorimetric mustard sensing in surfactant and microemulsion systems. PhD Thesis, Cardiff University.
Item availability restricted.

Thomas, Sophie R., Yang, Wenjie, Morgan, David J.

, Davies, Thomas E., Li, Jiao Jiao, Fischer, Roland A., Huang, Jun, Dimitratos, Nikolaos and Casini, Angela

2022. Bottom-up synthesis of water-soluble gold nanoparticles stabilized by N-Heterocyclic carbenes: From structural characterization to applications. Chemistry - A European Journal 28 (56) , e202201575. 10.1002/chem.202201575

Tigwell, Max, Douthwaite, Mark, Smith, Louise R., Dummer, Nicholas F.

, Bethell, Donald, Taylor, Stuart H.

2022. Investigating catalytic properties which influence dehydration and oxidative dehydrogenation in aerobic glycerol oxidation over Pt/TiO2. Journal of Physical Chemistry C 126 (37) , pp. 15651-15661. 10.1021/acs.jpcc.2c03680

Ungerer, Marietjie J.

2022. Computational insights into Ru, Pd and Pt fcc nano-catalysts from density functional theory calculations: the influence of long-range dispersion corrections. Catalysts 12 (10) , 1287. 10.3390/catal12101287

Valentine, Andrew J., Geer, Ana M., Blundell, Toby J., Tovey, Will, Cliffe, Matthew J., Davies, E. Stephen, Argent, Stephen P., Lewis, William, McMaster, Jonathan, Taylor, Laurence J., Reta, Daniel and Kays, Deborah L.

2022. Slow magnetic relaxation in Fe(ii) m-terphenyl complexes. Dalton Transactions 51 (47) , pp. 18118-18126. 10.1039/D2DT03531F

Valentine, Andrew J., Taylor, Laurence J., Geer, Ana M., Huke, Cameron D., Wood, Katherine E., Tovey, Will, Lewis, William, Argent, Stephen P., Teale, Andrew M., McMaster, Jonathan and Kays, Deborah L.

2022. Structural and electronic studies of substituted m-terphenyl group 12 complexes. Organometallics 41 (11) , pp. 1426-1433. 10.1021/acs.organomet.2c00156

Valentini, Cataldo, Gowland, Duncan, Bezzu, C. Grazia, Romito, Deborah, Demitri, Nicola, Bonini, Nicola and Bonifazi, Davide

2022. Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case. Chemical Science 13 (21) , pp. 6335-6347. 10.1039/D2SC01038K

Valizadeh, Solmaz, Naji, Leila, Karimi, Mohammad, Sarabadani Tafreshi, Saeedeh, Heijman, Bas and de Leeuw, Nora H.

2022. Experimental and density functional theory studies of laminar double-oxidized graphene oxide nanofiltration membranes. Chemical Engineering Research and Design 188 , pp. 590-606. 10.1016/j.cherd.2022.10.006

Vidal, Marta L., Manby, Frederick Roy and Knowles, Peter J.

2022. Polaritonic effects in the vibronic spectrum of molecules in an optical cavity. The Journal of Chemical Physics 156 (20) , 204119. 10.1063/5.0089412

Waghmare, Ashish, Sharma, Vidhika, Shinde, Pratibha, Punde, Ashvini, Vairale, Priti, Hase, Yogesh, Pandharkar, Subhash, Nair, Shruthi, Aher, Rahul, Doiphode, Vidya, Shah, Shruti, Rahane, Swati, Bade, Bharat, Prasad, Mohit, Rondiya, Sachin and Jadkar, Sandesh 2022. Preparation and characterization of γ-In2Se3 thin-film photoanodes for photoelectrochemical water splitting. Journal of Solid State Electrochemistry 26 (1) , pp. 219-232. 10.1007/s10008-021-05054-1

Walkowiak, Jedrzej, Szyling, Jakub, Franczyk, Adrian and Melen, Rebecca

2022. Hydroelementation of diynes. Chemical Society Reviews 51 (3) , pp. 869-994. 10.1039/d1cs00485a

Wang, Kai 2022. Structure-activity relationship studies of supported metal catalysts for benzyl alcohol oxidation and propane dehydrogenation. PhD Thesis, Cardiff University.
Item availability restricted.

Wang, Lina, Carta, Mariolino

, Malpass-Evans, Richard, McKeown, Neil B., Fletcher, Philip J., Estrela, Pedro, Roldan, Alberto

and Marken, Frank 2022. Artificial formate oxidase reactivity with nano-palladium embedded in intrinsically microporous polyamine (Pd@PIM-EA-TB) driving the H2O2 – 3,5,3′,5′-tetramethylbenzidine (TMB) colour reaction. Journal of Catalysis 416 , pp. 253-266. 10.1016/j.jcat.2022.11.015

Wang, Xi, Xu, Shaojun, Chalmers, Evelyn, Chen, Xiaogang, Liu, Yong and Liu, Xuqing 2022. Entangled ZnO on ultrathin hollow fibers for UV-aided pollutant decomposition. ACS Applied Materials and Interfaces 14 (8) , pp. 10769-10781. 10.1021/acsami.1c21554

Wang, Yucheng, Lei, Hanhui, Lu, Shun, Yang, Ziming, Xu, Ben Bin, Xing, Lei and Liu, Terence Xiaoteng 2022. Cu2O nano-flowers/graphene enabled scaffolding structure catalyst layer for enhanced CO2 electrochemical reduction. Applied Catalysis B: Environmental 305 , 121022. 10.1016/j.apcatb.2021.121022

Wang, Zhen, Cui, Xiaoxiao, Famulari, Antonio, Marti-Rujas, Javier, Kariuki, Benson M.

and Guo, Fang 2022. Solid-state stability of Z′ < 1 and Z′ = 2 polymorphs of N,N,N′,N′-tetrabenzylethylenediamine: a combined experimental and theoretical study. CrystEngComm 24 (45) , pp. 7924-7931. 10.1039/d2ce01174c

Ward, Benjamin D.

, Guppy, Owaen G. and Shaw, Matthew S. 2022. Alkyl, carbonyl and cyanide complexes of the group 4 metals. Parkin, Gerard, Meyer, Karsten and O'hare, Dermot, eds. Comprehensive Organometallic Chemistry IV (Fourth Edition), Elsevier, pp. 85-162. (10.1016/B978-0-12-820206-7.00011-1)

Williams, Matthew 2022. Mechanochemistry as an enabling technology for synthesis and catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Williams, Matthew T. J., Morrill, Louis C.

and Browne, Duncan L.

2022. Mechanochemical organocatalysis: do high enantioselectivities contradict what we might expect? ChemSusChem 15 (2) , e202102157. 10.1002/cssc.202102157

Wirth, Thomas

, Patra, Tuhin and Winterson, Bethan 2022. Hypervalent bromine(III) compounds: synthesis, applications, prospects. Synthesis: Journal of Synthetic Organic Chemistry 54 (05) , pp. 1261-1271. 10.1055/a-1675-8404

Wu, Yi-Lin

and Wright, Anna I. 2022. Why does thionating a carbonyl molecule make it a better electron acceptor? Physical Chemistry Chemical Physics 25 (2) , pp. 1342-1348. 10.1039/d2cp05186a

Xiong, Ziyue, Weidlich, Frauke, Sanchez, Camille and Wirth, Thomas

2022. Biomimetic total synthesis of (−)-galanthamine via intramolecular anodic aryl–phenol coupling. Organic and Biomolecular Chemistry 20 (20) , pp. 4123-4127. 10.1039/D2OB00669C

Xu, Shanshan, Slater, Thomas J.A.

, Huang, Hong, Zhou, Yangtao, Jiao, Yilai, Parlett, Christopher M.A., Guan, Shaoliang, Chansai, Sarayute, Xu, Shaojun, Wang, Xinrui, Hardacre, Christopher and Fan, Xiaolei 2022. Developing silicalite-1 encapsulated Ni nanoparticles as sintering-/coking-resistant catalysts for dry reforming of methane. Chemical Engineering Journal 446 (5) , 137439. 10.1016/j.cej.2022.137439

Yang, Hao, Qin, Liguo, Wang, Fei, Mawignon, Fagla Jules, Dong, Mochen, Wu, Yuhao, Zhang, Yali and Ma, Zeyu 2022. A facile method to fabricate the durable and self-protective coating for marine applications. Surface and Coatings Technology 452 , 129124. 10.1016/j.surfcoat.2022.129124

Ye, Chunchun, Wang, Anqi, Breakwell, Charlotte, Tan, Rui, Bezzu, C.Grazia, Hunter-Sellars, Elwin, Williams, Daryl R., Brandon, Nigel P., Klusener, Peter A. A., Kucernak, Anthony R., Jelfs, Kim E., McKeown, Neil B. and Song, Qilei 2022. Development of efficient aqueous organic redox flow batteries using ion-sieving sulfonated polymer membranes. Nature Communications 13 (1) , 3184. 10.1038/s41467-022-30943-y

Ye, Chunchun, Tan, Rui, Wang, Anqi, Chen, Jie, Comesaña Gándara, Bibiana, Breakwell, Charlotte, Alvarez Fernandez, Alberto, Fan, Zhiyu, Weng, Jiaqi, Bezzu, C. Grazia, Guldin, Stefan, Brandon, Nigel P., Kucernak, Anthony R., Jelfs, Kim E., McKeown, Neil B. and Song, Qilei 2022. Long-life aqueous organic redox flow batteries enabled by amidoxime-functionalized ion-selective polymer membranes. Angewandte Chemie International Edition 61 (38) , e202207580. 10.1002/anie.202207580

Ye, Tongqi, Carter, James H., Chen, Bao, Li, Xin, Ye, Yuewen, Taylor, Stuart H.

2022. Iron-chromium mixed metal oxides catalyse the oxidative dehydrogenation of propane using carbon dioxide. Catalysis Communications 162 , 106383. 10.1016/j.catcom.2021.106383

Yue, Erlin, Petrov, Andrey, Frost, Daniel S., Dettling, Lea, Conrad, Lawrence, Wossidlo, Friedrich, Coles, Nathan T.

, Weber, Manuela and Müller, Christian 2022. Highly flexible phosphabenzenes: a missing coordination mode of 2,4,6-triaryl-λ3-phosphinines. Chemical Communications 58 (42) , pp. 6184-6187. 10.1039/D2CC01817A

Zhang, Man, Xu, Shaojun, Boubeche, Mebrouka, Decarolis, Donato, Huang, Yizhe, Liu, Biying, Gibson, Emma K., Li, Xin, Wang, Yuchen, Luo, Huixia, Catlow, C. Richard A.

and Yan, Kai 2022. Designed TiS2 nanosheets for efficient electrocatalytic reductive amination of biomass-derived furfurals. Green Chemistry 24 (24) , pp. 9570-9578. 10.1039/D2GC03234A

Zhang, Chen, Sun, Shuzhuang, Xu, Shaojun and Wu, Chunfei 2022. CO2 capture over steam and KOH activated biochar: Effect of relative humidity. Biomass and Bioenergy 166 , 106608. 10.1016/j.biombioe.2022.106608

Zhang, Dongsheng, Ren, Pengju, Liu, Wuwen, Li, Yaru, Salli, Sofia, Han, Feiyu, Qiao, Wei, Liu, Yu, Fan, Yingzhu, Cui, Yi, Shen, Yanbin, Richards, Emma

, Wen, Xiaodong, Rummeli, Mark H., Li, Yongwang, Besenbacher, Flemming, Niemantsverdriet, Hans, Lim, Tingbin and Su, Ren 2022. Photocatalytic abstraction of hydrogen atoms from water using hydroxylated graphitic carbon nitride for hydrogenative coupling reactions. Angewandte Chemie International Edition 134 (24) , e202204256. 10.1002/anie.202204256

Zhang, Fei, Xie, Hui, Guo, Bing, Zhu, Caizhen and Xu, Jian 2022. AIE-active macromolecules: designs, performances, and applications. Polymer Chemistry 13 (1) , pp. 8-43. 10.1039/D1PY01167G

Zhang, Huaiyuan, Cormanich, Rodrigo A. and Wirth, Thomas

2022. Chiral ligands in hypervalent iodine compounds: synthesis and structures of binaphthyl-based λ3-iodanes. Chemistry - A European Journal 28 (5) , e202103623. 10.1002/chem.202103623

Zhang, Huaiyuan and Wirth, Thomas

2022. Oxidation of BINOLs by hypervalent iodine reagents: facile synthesis of xanthenes and lactones. Chemistry - A European Journal 28 (21) 10.1002/chem.202200181

Zhang, Shi, Dedovets, Dmytro, Feng, Andong, Wang, Kang and Pera Titus, Marc 2022. Pickering interfacial catalysis for aerobic alcohol oxidation in oil foams. Journal of the American Chemical Society 144 (4) , 1729–1738. 10.1021/jacs.1c11207

Zhang, Shi, Dedovets, Dmytro and Pera Titus, Marc 2022. Oil foams stabilized by POSS/organosilica particle assemblies: application for aerobic oxidation of aromatic alcohols. Journal of Materials Chemistry A: materials for energy and sustainability 10 (18) , pp. 9997-10003. 10.1039/D2TA00667G

Zhu, Zuolei, Xu, Chenxi, Wang, Yucheng, Wang, Ling, Chang, Zhou, Fang, Zhongwei, Liu, Xiaoteng and Cheng, Jigui 2022. The high performance NiFe layered double hydroxides@ Ti3C2Tx/reduced graphene oxide hybrid catalyst for oxygen evolution reaction. Journal of Alloys and Compounds 894 , 162393. 10.1016/j.jallcom.2021.162393

2021

Abagale, Samson A., Braimah, Haruna, Osafo-Acquaah, Samuel, Powers, Stephen J., Emden, Helmut, Birkett, Michael A., Pickett, John A.

, Sanda, Umar I. and Vuts, József 2021. Field validation of senesced banana leaf extracts for trapping banana weevils on smallholder banana/plantain farms. Journal of Applied Entomology 145 (1-2) , pp. 26-35. 10.1111/jen.12838

Abdulridha, Samer, Zhang, Rongxin, Xu, Shaojun, Tedstone, Aleksander, Ou, Xiaoxia, Gong, Jiacheng, Mao, Boyang, Frogley, Mark, Bawn, Carlo, Zhou, Zhaoxia, Zhang, Xinran, Chansai, Sarayute, Holmes, Stuart M., Hardacre, Christopher, Garforth, Arthur A., Yang, Sihai, Jiao, Yilai and Fan, Xiaolei 2021. An efficient microwave-assisted chelation (MWAC) post-synthetic modification method to produce hierarchical Y zeolites. Microporous and Mesoporous Materials 311 , 110715. 10.1016/j.micromeso.2020.110715

Abdulridha, Samer, Jiao, Yilai, Xu, Shaojun, Zhang, Rongxin, Ren, Zhongyuan, Garforth, Arthur A. and Fan, Xiaolei 2021. A comparative study on mesoporous Y zeolites prepared by hard-templating and post-synthetic treatment methods. Applied Catalysis A: General 612 , 117986. 10.1016/j.apcata.2020.117986

Adesina, Aduragbemi S., Luk, Louis Y. P.

2021. Cryo‐kinetics reveal dynamic effects on the chemistry of human dihydrofolate reductase. ChemBioChem 22 (14) , pp. 2410-2414. 10.1002/cbic.202100017

Agarwal, Nishtha, Thomas, Liam, Nasrallah, Ali, Sainna, Mala A., Freakley, Simon J., Edwards, Jennifer K.

, Catlow, C. Richard A., Hutchings, Graham J.

and Willock, David J.

2021. The direct synthesis of hydrogen peroxide over Au and Pd nanoparticles: A DFT study. Catalysis Today 381 , pp. 76-85. 10.1016/j.cattod.2020.09.001

Aggett, Kieran, Davies, Thomas E., Morgan, David J.

, Hewes, Dan and Taylor, Stuart H.

2021. The influence of precursor on the preparation of CeO2 catalysts for the total oxidation of the volatile organic compound propane. Catalysts 11 (12) , 1461. 10.3390/catal11121461

Agrawal, Kushagra and Kishore, Nanda 2021. Computational study on adsorption characteristics of phenol and guaiacol over single and multiple nitrogen-doped graphene. ChemistrySelect 6 (30) , pp. 7682-7690. 10.1002/slct.202102060

Aikman, Brech 2021. Metal-based molecules for biomedical applications: investigation of their biological activities in cancer cells. PhD Thesis, Cardiff University.
Item availability restricted.

Al Fayez, Sahar 2021. The catalytic applications of titanium complexes in epoxide/anhydride ring opening copolymerization and umpolung cross-coupling reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Al Rahal, Okba, Williams, P. Andrew, Hughes, Colan E., Kariuki, Benson M.

and Harris, Kenneth D. M.

2021. Structure determination of multicomponent crystalline phases of (S)-Ibuprofen and l-Proline from powder x-ray diffraction data, augmented by complementary experimental and computational techniques. Crystal Growth and Design 21 (4) , pp. 2498-2507. 10.1021/acs.cgd.1c00160

Aladeemy, Saba A., Al-Mayouf, Abdullah M., Amer, Mabrook S., Alotaibi, Nouf H., Weller, Mark T. and Ghanem, Mohamed A. 2021. Structure and electrochemical activity of nickel aluminium fluoride nanosheets during urea electro-oxidation in an alkaline solution. RSC Advances 11 (5) , pp. 3190-3201. 10.1039/D0RA10814F

Alam, Syed Fakhar, Kim, Min-Zy, Rehman, Aafaq ur, Arepalli, Devipriyanka, Sharma, Pankaj

and Cho, Churl Hee 2021. Synthesis of SAPO-34 nanoplates with high Si/Al ratio and improved acid site density. Nanomaterials 11 (12) , 3198. 10.3390/nano11123198

Alharbi, Haifa 2021. Design and synthesis of novel chiral iodine (III) reagents for enantioselective synthesis. PhD Thesis, Cardiff University.

Item availability restricted.

Alharbi, Haifa, Elsherbini, Mohamed, Qurban, Jihan and Wirth, Thomas

2021. C−N axial chiral hypervalent iodine reagents: catalytic stereoselective α‐oxytosylation of ketones. Chemistry - A European Journal 27 (13) , pp. 4317-4321. 10.1002/chem.202005253

Allen, Lisa, Davies-Jones, Josh, Davies, Philip R.

, King, Sara and O'Reilly, Padraic 2021. Tuning the structure of cerium phosphate nanorods. CrystEngComm 23 (46) , pp. 8215-8225. 10.1039/D1CE01151K

Alsaeedi, Huda 2021. Exploring naphthalimide derivatives as sensitisers for genosensors. PhD Thesis, Cardiff University.
Item availability restricted.

Alshammari, Nadiyah and Platts, James A.

2021. Can ionic effects induce α-sheet conformation of Peptides? Chemical Physics Letters 784 , 139095. 10.1016/j.cplett.2021.139095

Alshammari, Nadiyah, Savva, Loizos, Kennedy-Britten, Oliver and Platts, James A.

2021. Forcefield evaluation and accelerated molecular dynamics simulation of Zn(II) binding to N-terminus of amyloid-β. Computational Biology and Chemistry 93 , 107540. 10.1016/j.compbiolchem.2021.107540

Amri, Nasser 2021. Electroorganic synthesis enabled by an automated flow platform. PhD Thesis, Cardiff University.

Item availability restricted.

Amri, Nasser and Wirth, Thomas

2021. Recent advances in the electrochemical synthesis of organosulfur compounds. Chemical Record 21 (9) , pp. 2526-2537. 10.1002/tcr.202100064

Amri, Nasser and Wirth, Thomas

2021. Flow electrosynthesis of sulfoxides, sulfones, and sulfoximines without supporting electrolytes. Journal of Organic Chemistry 86 (22) , pp. 15961-15972. 10.1021/acs.joc.1c00860

Asghar, Aisha, Iqbal, Naseem, Noor, Tayyaba, Kariuki, Benson

, Kidwell, Luke and Easun, Timothy

2021. Efficient electrochemical synthesis of a manganese-based metal-organic framework for H2 and CO2 uptake. Green Chemistry 23 , pp. 1220-1227. 10.1039/D0GC03292A

Ashritha, M.G., Rondiya, Sachin R., Cross, Russell W., Dzade, Nelson Y.

, Dhole, S.D., Hareesh, K. and Sunitha, D.V. 2021. Experimental and computational studies of sonochemical assisted anchoring of carbon quantum dots on reduced graphene oxide sheets towards the photocatalytic activity. Applied Surface Science 545 , 148962. 10.1016/j.apsusc.2021.148962

Ayan, Dasgupta, Richards, Emma

and Melen, Rebecca

2021. Frustrated radical pairs: insights from EPR spectroscopy. Angewandte Chemie International Edition 60 (1) , pp. 53-65. 10.1002/anie.202010633

Baashen, Mohammed A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. The crystal structure of 1-phenyl-N-(4,5,6,7-tetrabromo-1,3-dioxoisoindolin-2-yl)-5-(thiophen-2-yl)-1H-pyrazole-3-carboxamide-dimethylformamide (1/1) C22H10Br4N4O3S. Zeitschrift für Kristallographie - New Crystal Structures 236 (2) , pp. 431-433. 10.1515/ncrs-2020-0607

Baashen, Mohammed A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. The crystal structure of 4-(4-bromophenyl)-2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazole, C24H16Br2FN3S. Zeitschrift für Kristallographie - New Crystal Structures 236 (2) , pp. 425-427. 10.1515/ncrs-2020-0605

Bade, Bharat R., Rondiya, Sachin R., Jadhav, Yogesh A., Kamble, Mahesh M., Barma, Sunil V., Jathar, Sagar B., Nasane, Mamta P., Jadkar, Sandesh R., Funde, Adinath M. and Dzade, Nelson Y.

2021. Investigations of the structural, optoelectronic and band alignment properties of Cu2ZnSnS4 prepared by hot-injection method towards low-cost photovoltaic applications. Journal of Alloys and Compounds 854 , 157093. 10.1016/j.jallcom.2020.157093

Bailey, Liam 2021. Chemical vapour impregnation as a synthesis technique for propane total oxidation catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Baragau, Ioan-Alexandru, Lu, Zhen, Power, Nicholas P., Morgan, David J.

, Bowen, James, Diaz, Pedro and Kellici, Suela 2021. Continuous hydrothermal flow synthesis of S-functionalised carbon quantum dots for enhanced oil recovery. Chemical Engineering Journal 405 , 126631. 10.1016/j.cej.2020.126631

Baragau, Ioan-Alexandru, Power, Nicholas P., Morgan, David J.

, Lobo, Richard A., Roberts, Christopher S., Titirici, Maria-Magdalena, Middelkoop, Vesna, Diaz, Adriana, Dunn, Steven and Kellici, Suela 2021. Efficient continuous hydrothermal flow synthesis of carbon quantum dots from a targeted biomass precursor for on-off metal ions nanosensing. ACS Sustainable Chemistry and Engineering 9 (6) , 2559–2569. 10.1021/acssuschemeng.0c08594

Barlocco, Ilaria, Bellomi, Silvio, Delgado, Juan J., Chen, Xiaowei, Prati, Laura, Dimitratos, Nikolaos, Roldan, Alberto

and Villa, Alberto 2021. Enhancing activity, selectivity and stability of palladium catalysts in formic acid decomposition: Effect of support functionalization. Catalysis Today 382 , pp. 61-70. 10.1016/j.cattod.2021.07.005

Barlocco, Ilaria, Capelli, Sofia, Zanella, Elisa, Chen, Xiaowei, Delgado, Juan J., Roldan, Alberto, Dimitratos, Nikolaos and Villa, Alberto 2021. Synthesis of palladium-rhodium bimetallic nanoparticles for formic acid dehydrogenation. Journal of Energy Chemistry 52 , pp. 301-309. 10.1016/j.jechem.2020.04.031

Bartley, Jonathan K.

, Dimitratos, Nikolaos, Edwards, Jennifer K.

, Kiely, Christopher J. and Taylor, Stuart H.

2021. A career in catalysis: Graham J. Hutchings. ACS Catalysis 11 (10) , pp. 5916-5933. 10.1021/acscatal.1c00569

Basak, Shyam, Winfrey, Laura, Kustiana, Betty A., Melen, Rebecca L.

, Morrill, Louis C.

and Pulis, Alexander P. 2021. Electron deficient borane-mediated hydride abstraction in amines: stoichiometric and catalytic processes. Chemical Society Reviews 50 (6) , pp. 3721-3737. 10.1039/D0CS00531B

Battisti, Tommaso 2021. From light-induced processes in solution toward solid/liquid and liquid/liquid interfaces: the use of peri-xanthenoxanthene derivatives as photoactive compounds. PhD Thesis, Cardiff University.
Item availability restricted.

Baumann, Patrick 2021. Mechanistic and structural study of GAP-catalysed hydrolase activity in small G proteins. PhD Thesis, Cardiff University.
Item availability restricted.

Beevers, Cameron 2021. Advanced molecular modelling techniques to determine structures and reaction mechanisms of catalytic processes at the atomic level. PhD Thesis, Cardiff University.
Item availability restricted.

Benmore, Chris J. and Wilding, Martin C. 2021. Probing the structure of melts, glasses, and amorphous materials. Elements: An International Magazine of Mineralogy, Geochemistry, and Petrology 17 (3) , 175–180. 10.2138/gselements.17.3.175

Bezzu, C. Grazia, Fuoco, Alessio, Esposito, Elisa, Monteleone, Marcello, Longo, Mariagiulia, Jansen, Johannes Carolus, Nichol, Gary S. and McKeown, Neil B. 2021. Ultrapermeable polymers of intrinsic microporosity (PIMs) containing spirocyclic units with fused triptycenes. Advanced Functional Materials 31 (37) , 2104474. 10.1002/adfm.202104474

Bhaduri, Debajyoti

, Ghara, Tina, Penchev, Pavel, Paul, Soumitra, Pruncu, Catalin I., Dimov, Stefan and Morgan, David

2021. Pulsed laser polishing of selective laser melted aluminium alloy parts. Applied Surface Science 558 , 149887. 10.1016/j.apsusc.2021.149887

Bhattacharjee, Annapurna, Srivastava, Prabhakar Lal

, Nath, Onkar and Jain, Mukesh 2021. Genome-wide discovery of OsHOX24-binding sites and regulation of desiccation stress response in rice. Plant Molecular Biology 105 (1-2) , pp. 205-214. 10.1007/s11103-020-01078-9

Bhorde, Ajinkya, Waykar, Ravindra, Rondiya, Sachin R., Nair, Shruthi, Lonkar, Ganesh, Funde, Adinath, Dzade, Nelson Y.

and Jadkar, Sandesh 2021. Structural, electronic, and optical properties of lead-free halide double perovskite Rb2AgBiI6: a combined experimental and DFT study. ES Materials & Manufacturing 12 , pp. 43-52. 10.30919/esmm5f1042

Bonsignore, Riccardo, Thomas, Sophie R., Rigoulet, Mathilde, Jandl, Christian, Pöthig, Alexander, Bourissou, Didier, Barone, Giampaolo and Casini, Angela

2021. C-C Cross-Couplings from a Cyclometalated Au(III) CN Complex: Mechanistic Insights and synthetic developments. Chemistry - A European Journal 27 (57) , pp. 14322-14334. 10.1002/chem.202102668

Botchway, Cecil H., Tia, Richard, Evans, Adei, Dzade, Nelson Y.

2021. H-FER-Catalysed conversion of methanol to ethanol and dimethyl ether: a first-principles DFT study. South African Journal of Chemistry 71 (1) , pp. 30-35. 10520/ejc-chem-v74-nse1-a6

Bowden, Bethany, Davies-Jones, Josh A., Davies, Matthew

, Davies, Philip R.

, Sainna, Mala A. and Willock, David J.

2021. Investigating the effects of surface adsorbates on gold and palladium deposition on carbon. Topics in Catalysis 64 , pp. 1041-1051. 10.1007/s11244-021-01423-2

Branfoot, Callum, Young, Tom A., Wass, Duncan F.

and Pringle, Paul G. 2021. Radical-initiated P,P-metathesis reactions of diphosphanes: evidence from experimental and computational studies. Dalton Transactions 50 (20) , pp. 7094-7104. 10.1039/D1DT01013A

Briggs, Lydia, Newby, Ruth, Han, Xue, Morris, Christopher G., Savage, Mathew, Krap, Cristina Perez, Easun, Timothy L.

, Frogley, Mark D., Cinque, Gianfelice, Murray, Claire A., Tang, Chiu C., Sun, Junliang, Yang, Sihai and Schröder, Martin 2021. Binding and separation of CO2, SO2 and C2H2 in homo- and hetero-metallic metal-organic framework materials. Journal of Materials Chemistry A 9 (11) , pp. 7190-7197. 10.1039/D1TA00687H

Caiti, Massimiliano 2021. Intensification of biomass upgrading processes catalysed by heterogeneous catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Campisi, Dario, Lamberts, Thanja, Dzade, Nelson Y.

, Martinazzo, Rocco, ten Kate, Inge Loes and Tielens, Alexander G. G. M. 2021. Interaction of aromatic molecules with forsterite: accuracy of the periodic DFT-D4 method. The Journal of Physical Chemistry A 125 (13) , pp. 2770-2781. 10.1021/acs.jpca.1c02326

Carden, Jamie 2021. Enabling technologies to access new materials using frustrated Lewis pairs. PhD Thesis, Cardiff University.
Item availability restricted.

Carter, James, Bere, Takudzwa, Pitchers, Jack, Hewes, Daniel, Vandegehuchte, Bart D., Kiely, Christopher

2021. Direct and oxidative dehydrogenation of propane: From catalyst design to industrial application. Green Chemistry 23 (24) , pp. 9747-9799. 10.1039/D1GC03700E

Casini, Angela

and Thomas, Sophie R. 2021. The beauty of gold: knowledge of mechanisms leads to different applications of organogold compounds in medicine and catalysis. Chemistry Letters 50 (8) , pp. 1516-1522. 10.1246/cl.210238

Catlow, C. Richard A. 2021. Concluding remarks: Reaction mechanisms in catalysis: perspectives and prospects. Faraday Discussions 229 , pp. 502-513. 10.1039/D1FD00027F

Catlow, C. Richard A.

2021. Operando structural science of functional materials. IUCrJ 8 (5) , pp. 703-704. 10.1107/S2052252521008393

Cerrato, Erik, Rebolini, Elettra, Fabbri, Debora, Calza, Paola and Paganini, Maria Cristina 2021. Ternary systems based on ZnO/CeO2/Cu2O for the degradation of phenol and carbamazepine. Journal of Alloys and Compounds 856 , 158167. 10.1016/j.jallcom.2020.158167

Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit, Pattisson, Samuel, Hutchings, Graham J.

and Kaowphong, Sulawan 2021. Enhanced photocatalytic degradation of organic pollutants and hydrogen production by a visible light-responsive Bi2WO6/ZnIn2S4 heterojunction. Applied Surface Science 544 , 148885. 10.1016/j.apsusc.2020.148885

Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit and Kaowphong, Sulawan 2021. Double Z-scheme FeVO4/Bi4O5Br2/BiOBr ternary heterojunction photocatalyst for simultaneous photocatalytic removal of hexavalent chromium and rhodamine B. Journal of Colloid and Interface Science 603 , pp. 738-757. 10.1016/j.jcis.2021.06.124

Chaffey, Dawn R., Bere, Takudzwa, Davies, Thomas E., Apperley, David C., Taylor, Stuart H.

and Graham, Andrew E. 2021. Conversion of levulinic acid to levulinate ester biofuels by heterogeneous catalysts in the presence of acetals and ketals. Applied Catalysis B: Environmental 293 , 120219. 10.1016/j.apcatb.2021.120219

Chauhan, Ratna, Shinde, Manish, Sethi, Yogesh, Waghadkar, Yogesh, Rondiya, Sachin R., Dzade, Nelson Y.

, Gosavi, Suresh and Muddassir, Mohd. 2021. Indium-doped ZnOas efficient photosensitive material for sunlight driven hydrogen generation and DSSC applications: integrated experimental and computational approach. Journal of Solid State Electrochemistry 25 (8-9) , pp. 2279-2292. 10.1007/s10008-021-04999-7

Chen, Huanhao, Chansai, Sarayute, Xu, Shaojun, Xu, Shanshan, Mu, Yibing, Hardacre, Christopher and Fan, Xiaolei 2021. Dry reforming of methane on bimetallic Pt–Ni@CeO2 catalyst: a in situ DRIFTS-MS mechanistic study. Catalysis Science & Technology 11 (15) , pp. 5260-5272. 10.1039/D1CY00382H

Cherevotan, Arjun, Raj, Jithu, Dheer, Lakshay, Roy, Soumyabrata, Sarkar, Shreya, Das, Risov, Vinod, Chathakudath P., Xu, Shaojun, Wells, Peter, Waghmare, Umesh V. and Peter, Sebastian C. 2021. Operando generated ordered heterogeneous catalyst for the selective conversion of CO2 to methanol. ACS Energy Letters 6 (2) , 509–516. 10.1021/acsenergylett.0c02614

Cherkasov, Nikolay, Murzin, Dmitry Yu., Catlow, C. Richard A. and Chutia, Arunabhiram 2021. Selectivity of the Lindlar catalyst in alkyne semi-hydrogenation: a direct liquid-phase adsorption study. Catalysis Science & Technology 11 (18) , pp. 6205-6216. 10.1039/D1CY01016F

Chikate, Parameshwar R., Sharma, Alfa, Rondiya, Sachin R., Cross, Russell W., Dzade, Nelson Y.

, Shirage, Parasharam M. and Devan, Rupesh S. 2021. Hierarchically interconnected ZnO nanowires for low-temperature-operated reducing gas sensors: experimental and DFT studies. New Journal of Chemistry 45 (3) , pp. 1404-1414. 10.1039/D0NJ05231K

Coles, Nathan T.

, Abels, Anne Sofie, Leitl, Julia, Wolf, Robert, Grützmacher, Hansjörg and Müller, Christian 2021. Phosphinine-based ligands: recent developments in coordination chemistry and applications. Coordination Chemistry Reviews 433 , 213729. 10.1016/j.ccr.2020.213729

Coles, Nathan T.

, Gasperini, Danila, Provis-Evans, Cei B., Mahon, Mary F. and Webster, Ruth L. 2021. Heterobimetallic complexes of 1,1-diphosphineamide ligands. Organometallics 40 (2) 10.1021/acs.organomet.0c00662

Conway, Matthew 2021. Selective hydrogenation reactions in the synthesis of fragrances. PhD Thesis, Cardiff University.
Item availability restricted.

Cooper, Anna 2021. Lowering the fuel requirement during active regeneration of soot. PhD Thesis, Cardiff University.
Item availability restricted.

Craco, L., Carara, S. S. and Leoni, S.

2021. Landau-Fermi liquidness and s-wave superconducting properties of pressurized gray phosphorus. The European Physical Journal B 94 (5) , 115. 10.1140/epjb/s10051-021-00121-y

Craco, L., Carara, S. S. and Leoni, S.

2021. Interplay of electric field and disorder in Dirac liquid silicene. The European Physical Journal B 94 (2) , 47. 10.1140/epjb/s10051-021-00055-5

Craco, L. and Leoni, S.

2021. Orbital-selective nature of the 3d electronic structure of the ThFeAsN superconductor. Physical Review B 103 (7) , 075110. 10.1103/PhysRevB.103.075110

Craven, Holly M., Bonsignore, Riccardo, Lenis, Vasilis, Santi, Nicolo

, Berrar, Daniel, Swain, Martin, Whiteland, Helen, Casini, Angela and Hoffmann, Karl F. 2021. Identifying and validating the presence of Guanine-Quadruplexes (G4) within the blood fluke parasite Schistosoma mansoni. PLoS Neglected Tropical Diseases 15 (2) , e0008770. 10.1371/journal.pntd.0008770

Crombie, Caitlin M., Lewis, Richard J., Kovačič, Dávid, Morgan, David J.

, Davies, Thomas E., Edwards, Jennifer. K.

, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J.

2021. The influence of reaction conditions on the oxidation of cyclohexane via the in-situ production of H2O2. Catalysis Letters 151 , pp. 164-171. 10.1007/s10562-020-03281-1

Crombie, Caitlin M., Lewis, Richard J., Kovačič, Dávid, Morgan, David J.

, Slater, Thomas J. A.

, Davies, Thomas E., Edwards, Jennifer. K.

, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J.

2021. The selective oxidation of cyclohexane via In-situ H2O2 production over supported Pd-based catalysts. Catalysis Letters 151 , pp. 2762-2774. 10.1007/s10562-020-03511-6

Crombie, Caitlin M., Lewis, Richard J., Taylor, Rebekah L., Morgan, David J.

, Davies, Thomas E., Folli, Andrea

, Qi, Jizhen, Jiang, Haoyu, Kiely, Christopher J.

, Liu, Xi, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J.

2021. Enhanced selective oxidation of benzyl alcohol via in situ H2O2 production over supported Pd-based catalysts. ACS Catalysis 11 , 2701–2714. 10.1021/acscatal.0c04586

Cross, Russell W., Rondiya, Sachin R. and Dzade, Nelson Y.

2021. First-principles DFT Insights into the adsorption of hydrazine on bimetallic β1-NiZn catalyst: implications for direct hydrazine fuel cells. Applied Surface Science 536 , 147648. 10.1016/j.apsusc.2020.147648

Cross, Russell W., Rondiya, Sachin R. and Dzade, Nelson Y.

2021. Theoretical Insights into the hydrogen evolution reaction on the Ni3N electrocatalyst. Catalysts 11 (6) , 716. 10.3390/catal11060716

Dasgupta, Ayan, Babaahmadi, Rasool, Pahar, Sanjukta, Stefkova, Katarina, Gierlichs, Lukas, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L.

2021. Tris(pentafluorophenyl)borane-catalyzed carbenium ion generation and autocatalytic pyrazole synthesis-a computational and experimental study. Angewandte Chemie International Edition 60 (46) , pp. 24395-24399. 10.1002/anie.202109744

Dasgupta, Ayan, Babaahmadi, Rasool, Pahar, Sanjukta, Stefkova, Katarina, Gierlichs, Lukas, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L.

2021. Tris(pentafluorphenyl)boran-katalysierte Erzeugung von Carbenium-Ionen und autokatalytische Pyrazol-Synthese – eine theoretische und experimentelle Studie. Angewandte Chemie 133 (46) , pp. 24599-24604. 10.1002/ange.202109744

Dasgupta, Ayan and Melen, Rebecca L.

2021. Shared success - s-block cooperativity toward triazoles. Chem Catalysis 1 (6) , pp. 1158-1160. 10.1016/j.checat.2021.10.020

Dasgupta, Ayan, Stefkova, Katarina, Babaahmadi, Rasool, Yates, Brian F., Buurma, Niklaas J.

, Ariafard, Alireza, Richards, Emma

2021. Site-selective Csp3–Csp/Csp3–Csp2 cross-coupling reactions using frustrated Lewis pairs. Journal of the American Chemical Society 143 (11) , pp. 4451-4464. 10.1021/jacs.1c01622

Dasgupta, Ayan, Thiehoff, Christian, Newman, Paul D.

2021. Reactions promoted by hypervalent iodine reagents and boron Lewis acids. Organic and Biomolecular Chemistry 19 (22) , pp. 4852-4865. 10.1039/D1OB00740H

Davies, Heulwen 2021. Investigation and utilisation of the promiscuity of the sesquiterpene synthase amorpha-4,11-diene synthase. PhD Thesis, Cardiff University.
Item availability restricted.

Davies, Josh 2021. Controlling the Au/Iron oxide interface to optimise plasmonic resonance for magneto-optic diagnostics. PhD Thesis, Cardiff University.
Item availability restricted.

Dawson, Simon R., Pattisson, Samuel, Malta, Grazia, Dummer, Nicholas F.

, Smith, Louise R., Lazaridou, Anna, Allen, Christopher S., Davies, Thomas E., Freakley, Simon J., Kondrat, Simon A, Kiely, Christopher J.

, Johnston, Peter and Hutchings, Graham J.

2021. Sulfur promotion in Au/C catalyzed acetylene hydrochlorination. Small 17 (16) , 2007221. 10.1002/smll.202007221

Dawson, William M., Lang, Eric J. M., Rhys, Guto G., Shelley, Kathryn L., Williams, Christopher, Brady, R. Leo, Crump, Matthew P., Mulholland, Adrian J. and Woolfson, Derek N. 2021. Structural resolution of switchable states of a de novo peptide assembly. Nature Communications 12 (1) , 1530. 10.1038/s41467-021-21851-8

Dawson, William M., Martin, Freddie J. O., Rhys, Guto G., Shelley, Kathryn L., Brady, R. Leo and Woolfson, Derek N. 2021. Coiled coils 9-to-5: rational de novo design of α-helical barrels with tunable oligomeric states. Chemical Science 12 (20) , pp. 6923-6928. 10.1039/D1SC00460C

de Bitencourt Rodrigues, Higor, Oliveira de Brito Lira, Jéssica, Padoin, Natan, Soares, Cíntia, Qurashi, Ahsanulhaq and Ahmed, Nisar

2021. Sonoelectrochemistry: ultrasound-assisted organic electrosynthesis. ACS Sustainable Chemistry and Engineering 9 (29) , pp. 9590-9603. 10.1021/acssuschemeng.1c02989

Decarolis, Donato, Clark, Adam H., Pellegrinelli, Tommaso, Nachtegaal, Maarten, Lynch, Evan W., Catlow, C. Richard A.

, Gibson, Emma K., Goguet, Alexandre and Wells, Peter P. 2021. Spatial profiling of a Pd/Al2O3 catalyst during selective ammonia oxidation. ACS Catalysis 11 , 2141–2149. 10.1021/acscatal.0c05356

Delarmelina, Maicon

, Deshmukh, Gunjan, Goguet, Alexandre, Catlow, C. Richard A. and Manyar, Haresh 2021. Role of sulfation of zirconia catalysts in vapor phase ketonization of acetic acid. Journal of Physical Chemistry C 125 (50) , pp. 27578-27595. 10.1021/acs.jpcc.1c06920

Deng, Ke, Cole, Jacqueline M., Cooper, Joshaniel F. K., Webster, John R. P., Haynes, Richard, Al Bahri, Othman K., Steinke, Nina-Juliane, Guan, Shaoliang, Stan, Liliana, Zhan, Xiaozhi, Zhu, Tao, Nye, Daniel W. and Stenning, Gavin B. G. 2021. Electrolyte/dye/TiO2 interfacial structures of dye-sensitized solar cells revealed by in situ neutron reflectometry with contrast matching. Langmuir 37 (5) , pp. 1970-1982. 10.1021/acs.langmuir.0c03508

Di Ilio, Vincenzo, Birkett, Michael A. and Pickett, John A.

2021. Effects of nicotine and tobacco-related products on the feeding behavior of the German cockroach (Blattodea: Blattellidae). Journal of Insect Science 21 (2) , 3. 10.1093/jisesa/ieaa147

Di Santo, Giovanni, Miletic, Tanja, Schwendt, Mathias, Zhou, Yating, Kariuki, Benson M.

, Floreano, Luca, Goldoni, Andrea, Puschnig, Peter, Petaccia, Luca and Bonifazi, Davide

2021. Orbital mapping of semiconducting perylenes on Cu(111). Journal of Physical Chemistry C 125 (44) , pp. 24477-24486. 10.1021/acs.jpcc.1c05575

Díaz-Ortega, Ismael Francisco, Fernández-Barbosa, Eva Luz, Titos-Padilla, Silvia, Pope, Simon J. A.

, Jiménez, Juan-Ramón, Colacio, Enrique and Herrera, Juan Manuel 2021. Monitoring spin-crossover phenomena via Re(i) luminescence in hybrid Fe(ii) silica coated nanoparticles. Dalton Transactions 50 , pp. 16176-16184. 10.1039/D1DT03334D

Diniz Lessa, Milena, Fajardo, José Renato D, Delarmelina, Maicon

and Carneiro, José Walkimar de M 2021. A DFT study on the mechanism for polymerization of δ-valerolactone initiated by N-heterocyclic carbene (NHC) catalysts. Molecular Catalysis 515 , 111896. 10.1016/j.mcat.2021.111896

Doan, Huan V., Nguyen, Hoa Thi, Ting, Valeska P., Guan, Shaoliang, Eloi, Jean-Charles, Hall, Simon R. and Pham, Xuan Nui 2021. Improved photodegradation of anionic dyes using a complex graphitic carbon nitride and iron-based metal-organic framework material. Faraday Discussions 231 , pp. 81-96. 10.1039/D1FD00010A

Du, Wenjia, Hao, Zhangxiang, Iacoviello, Francesco, Sheng, Lin, Guan, Shaoliang, Zhang, Zhenyu, Brett, Daniel J. L., Wang, Feng Ryan and Shearing, Paul R. 2021. A multiscale X-ray tomography study of the cycled-induced degradation in magnesium-sulfur batteries. Small Methods 5 (5) , 2001193. 10.1002/smtd.202001193

Dzade, Nelson Y.

2021. First-principles insights into the electronic structure, optical and band alignment properties of earth-abundant Cu2SrSnS4 solar absorber. Scientific Reports 11 (1) , 4755. 10.1038/s41598-021-84037-8

Dzade, Nelson Y.

2021. Activating the FeS (001) surface for CO2 adsorption and reduction through the formation of sulfur vacancies: a DFT-D3 study. Catalysts 11 (1) , 127. 10.3390/catal11010127

Edwards, Lee

2021. Innovative coatings for electrical steel. PhD Thesis, Cardiff University.
Item availability restricted.

Elgar, Christopher 2021. Red emitting iridium(III) and rhenium(I) complexes developed for photonic applications. PhD Thesis, Cardiff University.
Item availability restricted.

Elsherbini, Mohamed, Osi, Arnaud, Alharbi, Haifa, Karam, Fatemah and Wirth, Thomas

2021. Sulfur-based chiral iodoarenes: an underexplored class of chiral hypervalent iodine reagents. Synthesis: Journal of Synthetic Organic Chemistry 55 , pp. 307-314. 10.1055/a-1508-9593

Epifanovsky, Evgeny, Gilbert, Andrew T. B., Feng, Xintian, Lee, Joonho, Mao, Yuezhi, Mardirossian, Narbe, Pokhilko, Pavel, White, Alec F., Coons, Marc P., Dempwolff, Adrian L., Gan, Zhengting, Hait, Diptarka, Horn, Paul R., Jacobson, Leif D., Kaliman, Ilya, Kussmann, Jörg, Lange, Adrian W., Lao, Ka Un, Levine, Daniel S., Liu, Jie, McKenzie, Simon C., Morrison, Adrian F., Nanda, Kaushik D., Plasser, Felix, Rehn, Dirk R., Vidal, Marta L., You, Zhi-Qiang, Zhu, Ying, Alam, Bushra, Albrecht, Benjamin J., Aldossary, Abdulrahman, Alguire, Ethan, Andersen, Josefine H., Athavale, Vishikh, Barton, Dennis, Begam, Khadiza, Behn, Andrew, Bellonzi, Nicole, Bernard, Yves A., Berquist, Eric J., Burton, Hugh G. A., Carreras, Abel, Carter-Fenk, Kevin, Chakraborty, Romit, Chien, Alan D., Closser, Kristina D., Cofer-Shabica, Vale, Dasgupta, Saswata, de Wergifosse, Marc, Deng, Jia, Diedenhofen, Michael, Do, Hainam, Ehlert, Sebastian, Fang, Po-Tung, Fatehi, Shervin, Feng, Qingguo, Friedhoff, Triet, Gayvert, James, Ge, Qinghui, Gidofalvi, Gergely, Goldey, Matthew, Gomes, Joe, González-Espinoza, Cristina E., Gulania, Sahil, Gunina, Anastasia O., Hanson-Heine, Magnus W. D., Harbach, Phillip H. P., Hauser, Andreas, Herbst, Michael F., Hernández Vera, Mario, Hodecker, Manuel, Holden, Zachary C., Houck, Shannon, Huang, Xunkun, Hui, Kerwin, Huynh, Bang C., Ivanov, Maxim, Jász, Ádám, Ji, Hyunjun, Jiang, Hanjie, Kaduk, Benjamin, Kähler, Sven, Khistyaev, Kirill, Kim, Jaehoon, Kis, Gergely, Klunzinger, Phil, Koczor-Benda, Zsuzsanna, Koh, Joong Hoon, Kosenkov, Dimitri, Koulias, Laura, Kowalczyk, Tim, Krauter, Caroline M., Kue, Karl, Kunitsa, Alexander, Kus, Thomas, Ladjánszki, István, Landau, Arie, Lawler, Keith V., Lefrancois, Daniel, Lehtola, Susi, Li, Run R., Li, Yi-Pei, Liang, Jiashu, Liebenthal, Marcus, Lin, Hung-Hsuan, Lin, You-Sheng, Liu, Fenglai, Liu, Kuan-Yu, Loipersberger, Matthias, Luenser, Arne, Manjanath, Aaditya, Manohar, Prashant, Mansoor, Erum, Manzer, Sam F., Mao, Shan-Ping, Marenich, Aleksandr V., Markovich, Thomas, Mason, Stephen, Maurer, Simon A., McLaughlin, Peter F., Menger, Maximilian F. S. J., Mewes, Jan-Michael, Mewes, Stefanie A., Morgante, Pierpaolo, Mullinax, J. Wayne, Oosterbaan, Katherine J., Paran, Garrette, Paul, Alexander C., Paul, Suranjan K., Pavo?evi?, Fabijan, Pei, Zheng, Prager, Stefan, Proynov, Emil I., Rák, Ádám, Ramos-Cordoba, Eloy, Rana, Bhaskar, Rask, Alan E., Rettig, Adam, Richard, Ryan M., Rob, Fazle, Rossomme, Elliot, Scheele, Tarek, Scheurer, Maximilian, Schneider, Matthias, Sergueev, Nickolai, Sharada, Shaama M., Skomorowski, Wojciech, Small, David W., Stein, Christopher J., Su, Yu-Chuan, Sundstrom, Eric J., Tao, Zhen, Thirman, Jonathan, Tornai, Gábor J., Tsuchimochi, Takashi, Tubman, Norm M., Veccham, Srimukh Prasad, Vydrov, Oleg, Wenzel, Jan, Witte, Jon, Yamada, Atsushi, Yao, Kun, Yeganeh, Sina, Yost, Shane R., Zech, Alexander, Zhang, Igor Ying, Zhang, Xing, Zhang, Yu, Zuev, Dmitry, Aspuru-Guzik, Alán, Bell, Alexis T., Besley, Nicholas A., Bravaya, Ksenia B., Brooks, Bernard R., Casanova, David, Chai, Jeng-Da, Coriani, Sonia, Cramer, Christopher J., Cserey, György, DePrince, A. Eugene, DiStasio, Robert A., Dreuw, Andreas, Dunietz, Barry D., Furlani, Thomas R., Goddard, William A., Hammes-Schiffer, Sharon, Head-Gordon, Teresa, Hehre, Warren J., Hsu, Chao-Ping, Jagau, Thomas-C., Jung, Yousung, Klamt, Andreas, Kong, Jing, Lambrecht, Daniel S., Liang, WanZhen, Mayhall, Nicholas J., McCurdy, C. William, Neaton, Jeffrey B., Ochsenfeld, Christian, Parkhill, John A., Peverati, Roberto, Rassolov, Vitaly A., Shao, Yihan, Slipchenko, Lyudmila V., Stauch, Tim, Steele, Ryan P., Subotnik, Joseph E., Thom, Alex J. W., Tkatchenko, Alexandre, Truhlar, Donald G., Van Voorhis, Troy, Wesolowski, Tomasz A., Whaley, K. Birgitta, Woodcock, H. Lee, Zimmerman, Paul M., Faraji, Shirin, Gill, Peter M. W., Head-Gordon, Martin, Herbert, John M. and Krylov, Anna I. 2021. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics 155 (8) , 084801. 10.1063/5.0055522

Escobar Steinvall, Simon, Stutz, Elias Z., Paul, Rajrupa, Zamani, Mahdi, Dzade, Nelson Y.

, Piazza, Valerio, Friedl, Martin, de Mestral, Virginie, Leran, Jean-Baptiste, Zamani, Reza R. and Fontcuberta i Morral, Anna 2021. Towards defect-free thin films of the earth-abundant absorber zinc phosphide by nanopatterning. Nanoscale Advances 3 10.1039/D0NA00841A

Evangelista, Tereza Cristina Santos, Delarmelina, Maicon

, Addla, Dinesh, Allão, Rafael A., Kaiser, Carlos Roland, Carneiro, José Walkimar de M., Silva-Jr, Floriano Paes and Ferreira, Sabrina Baptista 2021. Influence of temperature for the azide displacement in benzodiazepine derivatives: Experimental and DFT study of competing SN1, SN2 and double SN2 reaction pathways. Tetrahedron Letters 68 , 152937. 10.1016/j.tetlet.2021.152937

Evans, Kieren J.

, Morton, Paul A., Luz, Christian, Miller, Callum, Raine, Olivia, Lynam, Jason M. and Mansell, Stephen M. 2021. Rhodium Indenyl NHC and Fluorenyl-Tethered NHC Half-Sandwich Complexes: Synthesis, Structures and Applications in the Catalytic C−H Borylation of Arenes and Alkanes. Chemistry - A European Journal 27 (71) , pp. 17824-17833. 10.1002/chem.202102961

Evans, Kieren J.

, Morton, Paul A., Sangster, Calum and Mansell, Stephen M. 2021. One-step synthesis of heteroleptic rare-earth amide complexes featuring fluorenyl-tethered N-heterocyclic carbene ligands. Polyhedron 197 , 115021. 10.1016/j.poly.2021.115021

Exner, Rüdiger M., Paisey, Stephen J.

, Redman, James E.

and Pascu, Sofia I. 2021. Explorations into peptide nucleic acid contrast agents as emerging scaffolds for breakthrough solutions in medical imaging and diagnosis. ACS Omega 6 (43) , pp. 28455-28462. 10.1021/acsomega.1c03994

Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Stishenko, Pavel V., Akimenko, Sergey S. and Myshlyavtsev, Alexander V. 2021. Melting of Fe-terephthalate layers on Cu(100) surface with randomly distributed point defects. Applied Surface Science 545 , 148989. 10.1016/j.apsusc.2021.148989

Fairley, Neal, Fernandez, Vincent, Richard-Plouet, Mireille, Guillot-Deudon, Catherine, Walton, John, Smith, Emily, Flahaut, Delphine, Greiner, Mark, Biesinger, Mark, Tougaard, Sven, Morgan, David

and Baltrusaitis, Jonas 2021. Systematic and collaborative approach to problem solving using X-ray photoelectron spectroscopy. Applied Surface Science Advances 5 , 100112. 10.1016/j.apsadv.2021.100112

Fang, L., Yan, Z., Wu, J., Bugaev, A., Lamberti, C. and Pera-Titus, M. 2021. Highly selective Ru/HBEA catalyst for the direct amination of fatty alcohols with ammonia. Applied Catalysis B: Environmental 286 , 119942. 10.1016/j.apcatb.2021.119942

Fang, Huihuang, Chen, Weikun, Wu, Lijie, Zhao, Pu, Roldan Martinez, Alberto

and Yuan, Youzhu 2021. Stable and antisintering tungsten carbides with controllable active phase for selective cleavage of aryl ether C-O bonds. ACS Applied Materials and Interfaces 13 (7) , pp. 8274-8284. 10.1021/acsami.0c19599

Farkas, Barbara 2021. Computational nano-materials and catalysis: Modelling of structural and magnetic properties of bare and ligand-protected cobalt nanoparticles. PhD Thesis, Cardiff University.

Item availability restricted.

Farkas, Barbara and de Leeuw, Nora H.

2021. Effect of coverage on the magnetic properties of -COOH, -SH, and -NH2 ligand-protected cobalt nanoparticles. Nanoscale 13 (27) , pp. 11844-11855. 10.1039/D1NR01081F

Farkas, Barbara and de Leeuw, Nora H.

2021. A perspective on modelling metallic magnetic nanoparticles in biomedicine: From monometals to nanoalloys and ligand-protected particles. Materials 14 (13) , 3611. 10.3390/ma14133611

Farkaš, Barbara, Terranova, Umberto and de Leeuw, Nora H.

2021. The mechanism underlying the functionalisation of cobalt nanoparticles by carboxylic acids: a first-principles computational study. Journal of Materials Chemistry B: Materials for biology and medicine 9 (24) , pp. 4915-4928. 10.1039/D0TB02928A

Fasano, Francesco, Dosso, Jacopo

, Bezzu, C. Grazia, Carta, Mariolino

, Kerff, François, Demitri, Nicola, Su, Bao-Lian and Bonifazi, Davide

2021. BN‐doped metal–organic frameworks: tailoring 2D and 3D porous architectures through molecular editing of borazines. Chemistry - A European Journal 27 (12) , pp. 4124-4133. 10.1002/chem.202004640

Faulkner, Christopher 2021. Investigating the molecular basis for anesthesia. PhD Thesis, Cardiff University.

Item availability restricted.

Faulkner, Christopher and de Leeuw, Nora H.

2021. Predicting the membrane permeability of fentanyl and its analogues by molecular dynamics simulations. Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry) 125 (30) , pp. 8443-8449. 10.1021/acs.jpcb.1c05438

Felemban, Sarah A., Bezzu, C. Grazia, Comesaña-Gándara, Bibiana, Jansen, Johannes C., Fuoco, Alessio, Esposito, Elisa, Carta, Mariolino and McKeown, Neil B. 2021. Synthesis and gas permeation properties of tetraoxidethianthrene-based polymers of intrinsic microporosity. Journal of Materials Chemistry A 9 , pp. 2840-2849. 10.1039/D0TA10134F

Fischer, Lukas, Wossidlo, Friedrich, Frost, Daniel, Coles, Nathan T.

, Steinhauer, Simon, Riedel, Sebastian and Müller, Christian 2021. One-step methylation of aromatic phosphorus heterocycles: synthesis and crystallographic characterization of a 1-methyl-phosphininium salt. Chemical Communications 57 (75) , pp. 9522-9525. 10.1039/D1CC03892C

Fitzgerald, Sophie A., Otaif, Haleema Y., Elgar, Christopher E., Sawicka, Natalia, Horton, Peter N., Coles, Simon J., Beames, Joseph M.

2021. Polysubstituted ligand framework for color tuning phosphorescent iridium(III) complexes. Inorganic Chemistry 60 (20) , pp. 15467-15484. 10.1021/acs.inorgchem.1c02121

Folli, Andrea

, Ritterskamp, Nadine, Richards, Emma

2021. Probing the structure of copper(II)-casiopeina type coordination complexes [Cu(O-O)(N-N)]+ by EPR and ENDOR spectroscopy. Journal of Catalysis 394 , pp. 220-227. 10.1016/j.jcat.2020.07.016

Fransson, Thomas, Brumboiu, Iulia E., Vidal, Marta L., Norman, Patrick, Coriani, Sonia and Dreuw, Andreas 2021. XABOOM: An X-ray Absorption Benchmark of Organic Molecules Based on Carbon, Nitrogen, and Oxygen 1s → π* Transitions. Journal of Chemical Theory and Computation 17 (3) , pp. 1618-1637. 10.1021/acs.jctc.0c01082

Freakley, Simon J., Dimitratos, Nikolaos

, Kiely, Christopher J.

2021. Methane oxidation to methanol in water. Accounts of Chemical Research 54 (11) , 2614–2623. 10.1021/acs.accounts.1c00129

Galmés, Miquel À., Nodling, Alexander R., Luk, Louis

, Swiderek, Katarzyna and Moliner, Vicent 2021. Combined theoretical and experimental study to unravel the differences in promiscuous amidase activity of two nonhomologous enzymes. ACS Catalysis 11 (14) , pp. 8635-8644. 10.1021/acscatal.1c02150

Gao, L., Miletto, I., Ivaldi, C., Paul, G., Marchese, L., Coluccia, S., Jiang, F., Gianotti, E. and Pera-Titus, M. 2021. Rational design of bifunctional hierarchical Pd/SAPO-5 for the synthesis of tetrahydrofuran derivatives from furfural. Journal of Catalysis 397 , pp. 75-89. 10.1016/j.jcat.2021.03.003

Gao, Zhuyan, Luo, Nengchao, Huang, Zhipeng, Taylor, Stuart H.

and Wang, Feng 2021. Controlling radical intermediates in photocatalytic conversion of low-carbon-number alcohols. ACS Sustainable Chemistry and Engineering 9 (18) , 6188–6202. 10.1021/acssuschemeng.1c01066

Gazis, Theodore 2021. Triarylboranes in azo and carbene chemistry. PhD Thesis, Cardiff University.

Item availability restricted.

Gazis, Theodore A., Carden, Jamie L., Alharbi, Mashael M. and Melen, Rebecca L.

2021. Triarylboranes in the activation of azo-containing compounds. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, (10.1002/9781119951438.eibc2780)

Ge, Mengyu, Molt, Robert W., Jenkins, Huw T., Blackburn, G. Michael, Jin, Yi

and Antson, Alfred A. 2021. Octahedral Trifluoromagnesate, an anomalous metal fluoride species, stabilizes the transition state in a biological motor. ACS Catalysis 11 , 2769–2773. 10.1021/acscatal.0c04500

Ghani, Hassan, Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. Tin complexes of 4-(Benzylideneamino)benzenesulfonamide: synthesis, structure elucidation and their efficiency as PVC photostabilizers. Polymers 13 (15) , 2434. 10.3390/polym13152434

Görlich, Tim, Frost, Daniel S., Boback, Nico, Coles, Nathan T.

, Dittrich, Birger, Müller, Peter, Jones, William D. and Müller, Christian 2021. Photochemical C(sp)–C(sp2) bond activation in phosphaalkynes: a new route to reactive terminal cyaphido complexes LnM–C≡P. Journal of the American Chemical Society 143 (46) , 19365–19373. 10.1021/jacs.1c07370

Gorman, Sam, Rickaby, Kirstie, Lu, Li, Kiely, Christopher J.

, Macphee, Donald E. and Folli, Andrea

2021. A combination of EPR, microscopy, electrophoresis and theory to elucidate the chemistry of W- and N-Doped TiO2 nanoparticle/water interfaces. Catalysts 11 (11) , 1305. 10.3390/catal11111305

Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew G., de Leeuw, Nora H.

, Jacquemin, Johan and Hardacre, Christopher 2021. Combined experimental and theoretical study of the competitive absorption of CO2 and NO2 by a superbase ionic liquid. ACS Sustainable Chemistry and Engineering 9 (22) , 7578–7586. 10.1021/acssuschemeng.1c01451

Guadix-Montero, Susana, Santos Hernandez, Alba, Lei, Nian, Morgan, David J.

, He, Qian

, Wang, Aiqin, Zhang, Tao, Roldan, Alberto

and Sankar, Meenakshisundaram

2021. Controlling the selectivity of supported Ru nanoparticles during glycerol hydrogenolysis: C−O vs C−C cleavage. ChemCatChem 13 (6) , pp. 1595-1606. 10.1002/cctc.202001881

Guan, Shaoliang, Rossi, Giovanni E., Winfield, John M., Wilson, Claire, MacLaren, Donald, Morgan, David J.

, Davies, Philip R.

and Lennon, David 2021. The interaction of CO with a copper(ii) chloride oxy-chlorination catalyst. Faraday Discussions 229 , pp. 318-340. 10.1039/D0FD00014K

Guppy, Owaen 2021. The study of polymeric and solid-state luminescent materials. PhD Thesis, Cardiff University.
Item availability restricted.

Hadi, Angham G., Baqir, Sadiq J., Ahmed, Dina S., El-Hiti, Gamal A., Hashim, Hassan, Ahmed, Ahmed, Kariuki, Benson M.

and Yousif, Emad 2021. Substituted organotin complexes of 4-methoxybenzoic acid for reduction of poly(vinyl chloride) photodegradation. Polymers 13 (22) , 3946. 10.3390/polym13223946

Halbert, Loïc, Vidal, Marta L., Shee, Avijit, Coriani, Sonia and Severo Pereira Gomes, André 2021. Relativistic EOM-CCSD for Core-Excited and Core-Ionized State Energies Based on the Four-Component Dirac–Coulomb(−Gaunt) Hamiltonian. Journal of Chemical Theory and Computation 17 (6) , pp. 3583-3598. 10.1021/acs.jctc.0c01203

Hardwick, Tomas and Ahmed, Nisar

2021. C-H functionalization via electrophotocatalysis and photoelectrochemistry: complementary synthetic approach. ACS Sustainable Chemistry and Engineering 9 (12) , pp. 4324-4340. 10.1021/acssuschemeng.0c08434

Hareesh, K., Rondiya, Sachin R., Dzade, Nelson Y.

, Dhole, S.D., Williams, Jim and Sergey, Samarin 2021. Polymer-wrapped reduced graphene oxide/nickel cobalt ferrite nanocomposites as tertiary hybrid supercapacitors: insights from experiment and simulation. Journal of Science: Advanced Materials and Devices 6 (2) , pp. 291-301. 10.1016/j.jsamd.2021.03.001

Harnedy, James, Hareram, Mishra Deepak, Tizzard, Graham J., Coles, Simon J. and Morrill, Louis C.

2021. Electrochemical oxidative Z-selective C(sp2)-H chlorination of acrylamides. Chemical Communications 57 (94) , pp. 12643-12646. 10.1039/D1CC05824J

Hartley, P., Egdell, R. G., Zhang, K. H. L., Hohmann, M. V., Piper, L. F. J., Morgan, D. J.

, Scanlon, D. O., Williamson, B. A. D. and Regoutz, A. 2021. Experimental and theoretical study of the electronic structures of lanthanide indium perovskites LnInO3. Journal of Physical Chemistry C 125 (11) , pp. 6387-6400. 10.1021/acs.jpcc.0c11592

Hawkins, Bryson A., Han, Jaeyeon, Du, Jonathan J., Lai, Felcia, Stanton, Stephen A., Divakarla, Shravan S., Groundwater, Paul W., Platts, James A.

and Hibbs, David E. 2021. Analyzing hydration differences in cocrystal polymorphs: high-resolution X-ray investigation of caffeine-glutaric acid cocrystals. Crystal Growth and Design 21 (8) , pp. 4456-4467. 10.1021/acs.cgd.1c00358

Hayes, Heather C., Luk, Louis Y. P.

and Tsai, Yu-Hsuan

2021. Approaches for peptide and protein cyclisation. Organic and Biomolecular Chemistry 19 (18) , pp. 3983-4001. 10.1039/D1OB00411E

Heard, Matthew J., Stefkova, Katarina, van Ingen, Yara and Melen, Rebecca L.

2021. Frustrated Lewis pairs in organic synthesis. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, (10.1016/B978-0-12-820206-7.00041-X)

Hernandez Tamargo, Carlos, Silverwood, Ian P., O'Malley, Alexander J. and Leeuw, Nora H. de 2021. Quasielastic neutron scattering and molecular dynamics simulation study on the molecular behaviour of catechol in zeolite Beta. Topics in Catalysis 64 , pp. 707-721. 10.1007/s11244-020-01400-1

Hernandez-Tamargo, Carlos, Kwakye-Awuah, Bright, O'Malley, Alexander J. and de Leeuw, Nora H.

2021. Mercury exchange in zeolites Na-A and Na-Y studied by classical molecular dynamics simulations and ion exchange experiments. Microporous and Mesoporous Materials 315 , 110903. 10.1016/j.micromeso.2021.110903

Hong, Yerin, Cho, Yongjoon, Go, Eun Min, Sharma, Pankaj

, Cho, Hyeonjin, Lee, Byongkyu, Lee, Sang Myeon, Park, Sung O., Ko, Myohwa, Kwak, Sang Kyu, Yang, Changduk and Jang, Ji-Wook 2021. Unassisted photocatalytic H2O2 production under visible light by fluorinated polymer-TiO2 heterojunction. Chemical Engineering Journal 418 , 129346. 10.1016/j.cej.2021.129346

Hou, Qing, Buckeridge, John, Walsh, Aron, Xie, Zijuan, Lu, You, Keal, Thomas W., Guan, Jingcheng, Woodley, Scott M., Catlow, C. Richard A.

and Sokol, Alexey A. 2021. The interplay of interstitial and substitutional copper in zinc oxide. Frontiers in Chemistry 9 , 780935. 10.3389/fchem.2021.780935

Hu, H., Ramzan, A., Wischert, R., Jerôme, F., Michel, C., de Olivera Vigier, K. and Pera-Titus, M. 2021. Pivotal role of H2 in the isomerisation of isosorbide over a Ru/C catalyst. Catalysis Science & Technology 11 (24) , pp. 7973-7981. 10.1039/D1CY01709H

Huke, Cameron and Kays, Deborah L.

2021. Hydrofunctionalization reactions of heterocumulenes: Formation of C–X (X = B, N, O, P, S and Si) bonds by homogeneous metal catalysts. Perez, Pedro J., ed. Advances in Organometallic Chemistry, Vol. 75. Elsevier, pp. 1-54. (10.1016/bs.adomc.2021.01.003)

Huke, Cameron D., Taylor, Laurence J., Argent, Stephen P. and Kays, Deborah L.

2021. Catalyst-free hydrophosphinylation of isocyanates and isothiocyanates under low-added-solvent conditions. ACS Sustainable Chemistry & Engineering 9 (32) , 10704–10709. 10.1021/acssuschemeng.1c02907

Hussain, Mian Zahid, Yang, Zhuxian, Linden, Bart van der, Huang, Zheng, Jia, Quanli, Cerrato, Erik, Fischer, Roland A., Kapteijn, Freek, Zhu, Yanqiu and Xia, Yongde 2021. Surface functionalized N-C-TiO2/C nanocomposites derived from metal-organic framework in water vapour for enhanced photocatalytic H2 generation. Journal of Energy Chemistry 57 , pp. 485-495. 10.1016/j.jechem.2020.08.048

Hutchings, Graham

2021. Spiers memorial lecture: understanding reaction mechanisms in heterogeneously catalysed reactions. Faraday Discussions 229 , pp. 9-34. 10.1039/D1FD00023C

Iantaffi, Caterina, Leung, Chu Lun Alex, Chen, Yunhui, Guan, Shaoliang, Atwood, Robert C., Lertthanasarn, Jedsada, Pham, Minh-Son, Meisnar, Martina, Rohr, Thomas and Lee, Peter D. 2021. Oxidation induced mechanisms during directed energy deposition additive manufactured titanium alloy builds. Additive Manufacturing Letters 1 , 100022. 10.1016/j.addlet.2021.100022

Inns, Donald R., Mayer, Alexander J., Skukauskas, Vainius, Davies, Thomas E., Callison, June and Kondrat, Simon A. 2021. Evaluating the activity and stability of perovskite LaMO3-based Pt catalysts in the aqueous phase reforming of glycerol. Topics in Catalysis 64 , pp. 992-1009. 10.1007/s11244-021-01449-6

Isaacs, Mark A., Davies-Jones, Josh, Davies, Philip R.

, Guan, Shaoliang, Lee, Roxy, Morgan, David J.

, Palgrave, Robert and 2021. Advanced XPS characterization: XPS-based multi-technique analyses for comprehensive understanding of functional materials. Materials Chemistry Frontiers 5 (22) , pp. 7931-7963. 10.1039/D1QM00969A

Jadhav, Chandradip D., Rondiya, Sachin R., Hambire, Reshma C., Baviskar, Devashri R., Deore, Avinash V., Cross, Russell W., Dzade, Nelson Y.

and Chavan, Padmakar G. 2021. Highly efficient field emission properties of vertically aligned 2D CuSe nanosheets: an experimental and theoretical investigation. Journal of Alloys and Compounds 875 , 159987. 10.1016/j.jallcom.2021.159987

Jathar, Sagar B., Rondiya, Sachin R., Jadhav, Yogesh A., Nilegave, Dhanaraj S., Cross, Russell W., Barma, Sunil V., Nasane, Mamta P., Gaware, Shankar A., Bade, Bharat R., Jadkar, Sandesh R., Funde, Adinath M. and Dzade, Nelson Y.

2021. Ternary Cu2SnS3: synthesis, structure, photoelectrochemical activity, and heterojunction band offset and alignment. Chemistry of Materials 33 (6) , pp. 1983-1993. 10.1021/acs.chemmater.0c03223

Jerwood, Kimberley, Lowy, Phoebe, Deeming, Laura, Kariuki, Benson M.

2021. Remote control: stereoselective coordination of electron-deficient 2,2′-bipyridine ligands to Re(i) and Ir(iii) cores. Dalton Transactions 50 (45) , pp. 16459-16463. 10.1039/D1DT02928B

Jia, Zhiyong, Rondiya, Sachin R., Cross, Russell W., Wang, Cheng, Dzade, Nelson Y.

and Zhang, Chuang 2021. Highly active methanol oxidation electrocatalyst based on 2D NiO porous nanosheets:a combined computational and experimental study. Electrochimica Acta 394 , 139143. 10.1016/j.electacta.2021.139143

Jones, Andrew C., Nicholson, William I., Leitch, Jamie A. and Browne, Duncan L.

2021. A ball-milling-enabled cross-electrophile coupling. Organic Letters 23 (16) , 6337–6341. 10.1021/acs.orglett.1c02096

Jones, Corey L., Hughes, Colan E., Yeung, Hamish H.-M., Paul, Alison

and Easun, Timothy L.

2021. Exploiting in-situ NMR to monitor the formation of a metal-organic framework. Chemical Science 12 (4) , pp. 1486-1494. 10.1039/D0SC04892E

Juramy, Marie, Chèvre, Romain, Cerreia Vioglio, Paolo, Ziarelli, Fabio, Besson, Eric, Gastaldi, Stéphane, Viel, Stéphane, Thureau, Pierre, Harris, Kenneth D. M.

and Mollica, Giulia 2021. Monitoring crystallization processes in confined porous materials by dynamic nuclear polarization solid-state nuclear magnetic resonance. Journal of the American Chemical Society 143 (16) , pp. 6095-6103. 10.1021/jacs.0c12982

Kabalan, Lara, Kowalec, Igor, Catlow, C. Richard A. and Logsdail, Andrew J.

2021. A computational study of the properties of low- and high-index Pd, Cu and Zn surfaces. Physical Chemistry Chemical Physics 23 (27) , pp. 14649-14661. 10.1039/D1CP01602D

Kaehler, Tanja and Melen, Rebecca L.

2021. Comparative study of fluorinated triarylalanes and their borane counterparts. Cell Reports Physical Science 2 (10) , 100595. 10.1016/j.xcrp.2021.100595

Kaler, Sandeep, McKeown, Paul, Ward, Benjamin D.

and Jones, Matthew D. 2021. Aluminium(iii) and zinc(ii) complexes of azobenzene-containing ligands for ring-opening polymerisation of ε-caprolactone and rac-lactide. Inorganic Chemistry Frontiers 8 (3) , pp. 711-719. 10.1039/D0QI01303J

Kandil, Sahar B.

, McGuigan, Christopher

and Westwell, Andrew D.

2021. Synthesis, biological evaluation and X-ray analysis of bicalutamide sulfoxide analogues for the potential treatment of prostate cancer. Bioorganic and Medicinal Chemistry Letters 36 , 127817. 10.1016/j.bmcl.2021.127817

Kang, Liqun, Wang, Bolun, Güntner, Andreas T., Xu, Siyuan, Wan, Xuhao, Liu, Yiyun, Marlow, Sushila, Ren, Yifei, Gianolio, Diego, Tang, Chiu C., Murzin, Vadim, Asakura, Hiroyuki, He, Qian

, Guan, Shaoliang, Velasco-Vélez, Juan J., Pratsinis, Sotiris E., Guo, Yuzheng and Wang, Feng Ryan 2021. The electrophilicity of surface carbon species in the redox reactions of CuO-CeO2 catalysts. Angewandte Chemie International Edition 60 (26) 10.1002/anie.202102570

Kaowphong, Sulawan, Chachvalvutikul, Auttaphon, Hongsith, Niyom, Ren, James and Prasatkhetragarn, Anurak 2021. Synthesis of NiO nanostructures by sonocatalyzed microwave irradiation technique and their acetone sensing properties. Integrated Ferroelectrics 214 (1) , pp. 205-216. 10.1080/10584587.2020.1857197

Kariuki, Benson M.

, Abdel Wahab, Bakr F. and El-Hiti, Gamal A. 2021. Synthesis and structural characterization of Isostructural 4-(4-Aryl)-2-(5-(4-fluorophenyl)-3-(1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-4,5-dihydro-1H-pyrazol-1-yl)thiazoles. Crystals 11 (7) , 795. 10.3390/cryst11070795

Kariuki, Benson M.

2021. A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes. RSC Advances 11 (54) , pp. 34170-34173. 10.1039/D1RA06581E

Kennedy-Britten, Oliver, Al Shammari, Nadiyah and Platts, James A.

2021. Molecular dynamics simulations of copper binding to N-terminus mutants of amyloid-β. Journal of Biomolecular Structure and Dynamics 39 (6) , pp. 2003-2013. 10.1080/07391102.2020.1745692

Kennedy-Britten, Oliver D., Alshammari, Nadiyah and Platts, James A.

2021. Accelerated molecular dynamics to explore the binding of transition metals to amyloid-β. ACS Chemical Neuroscience 12 (21) , pp. 4065-4075. 10.1021/acschemneuro.1c00466

Kennedy, Julia

, Hayward, James, Davies, Philip

2021. Hydrogen production by the photo-reforming of methanol and the photocatalytic water gas shift reaction. Journal of Physics: Energy 3 (2) , 024007. 10.1088/2515-7655/abdd82

Khan, Md. Nasim and Wirth, Thomas

2021. Chiral Triptycenes: concepts, progress and prospects. Chemistry - A European Journal 27 (24) , pp. 7059-7068. 10.1002/chem.202005317

Kim, Young Jin, Kim, Min-Zy, Alam, Syed Fakhar, Rehman, Aafaq ur, Devipriyanka, Arepalli, Sharma, Pankaj

, Lee, Hye Ryeon and Cho, Churl-Hee 2021. Polarity-dependent particle size of zeolitic imidazolate framework synthesized in various solvents. Materials Chemistry and Physics: Including Materials Science Communications 259 , 124021. 10.1016/j.matchemphys.2020.124021

King, Ashley M., Wingad, Richard L., Pridmore, Natalie E., Pringle, Paul G. and Wass, Duncan F.

2021. Rhenium complexes bearing tridentate and bidentate phosphinoamine ligands in the production of biofuel alcohols via the Guerbet reaction. Organometallics 40 (16) , pp. 2844-2851. 10.1021/acs.organomet.1c00313

King, Ashley 2021. Expansion of the Guerbet Reaction towards group 7 metal catalysts and triglyceride substrates. PhD Thesis, Cardiff University.
Item availability restricted.

Kitchamsetti, Narasimharao, Ramteke, Mrunmay S., Rondiya, Sachin R., Mulani, Sameena R., Patil, Madhuri S., Cross, Russell W., Dzade, Nelson Y.

and Devan, Rupesh S. 2021. DFT and experimental investigations on the photocatalytic activities of NiO nanobelts for removal of organic pollutants. Journal of Alloys and Compounds 855 (P1) , 157337. 10.1016/j.jallcom.2020.157337

Koczor, Sándor, Vuts, József, Caulfield, John C., Withall, David M., Sarria, André, Pickett, John A.

, Birkett, Michael A., Csonka, Éva Bálintné and Tóth, Miklós 2021. Sex pheromone of the alfalfa plant bug, Adelphocoris lineolatus: pheromone composition and antagonistic effect of 1-hexanol (Hemiptera: Miridae). Journal of Chemical Ecology 47 , pp. 525-533. 10.1007/s10886-021-01273-y

Kohlrausch, Emerson C., Centurion, Higor Andrade, Lodge, Rhys W., Luo, Xuanli, Slater, Thomas

, Santos, Marcos J. L., Ling, Sanliang, Mastelaro, Valmor R., Cliffe, Matthew J., Goncalves, Renato Vitalino and Alves Fernandes, Jesum 2021. A high-throughput, solvent free method for dispersing metal atoms directly onto supports. Journal of Materials Chemistry A: materials for energy and sustainability 9 (47) , pp. 26676-26679. 10.1039/D1TA08372D

Kumar, Ankit, Mishra, Pawan K.

, Saini, Kapil Mohan and Verma, Akhilesh K. 2021. Base‐promoted synthesis of polysubstituted 4‐aminoquinolines from ynones and 2‐aminobenzonitriles under transition‐metal‐free conditions. Advanced Synthesis and Catalysis 363 (10) , pp. 2546-2551. 10.1002/adsc.202100023

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D., Bion, Nicolas, Catlow, C. Richard A.

and Hargreaves, Justin S. J. 2021. Combination of theoretical and in situ experimental investigations of the role of lithium dopant in manganese nitride: a two-stage reagent for ammonia synthesis. Faraday Discussions 229 , pp. 281-296. 10.1039/C9FD00131J

Lai, Kuan-Yu, Galan, Sébastien R.G., Zeng, Yibo, Zhou, Tianhui Hina, He, Chang, Raj, Ritu, Riedl, Jitka, Liu, Shi, Chooi, K. Phin, Garg, Neha, Zeng, Min, Jones, Lyn H., Hutchings, Graham J.

, Mohammed, Shabaz, Nair, Satish K., Chen, Jie, Davis, Benjamin G. and van der Donk, Wilfred A. 2021. LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome. Cell 184 (10) 10.1016/j.cell.2021.04.001

Lee, Jae Hwa, Cho, Hyeonjin, Park, Sung O., Hwang, Jeong Min, Hong, Yerin, Sharma, Pankaj

, Jeon, Woo Cheol, Cho, Yongjoon, Yang, Changduk, Kwak, Sang Kyu, Moon, Hoi Ri and Jang, Ji-Wook 2021. High performance H2O2 production achieved by sulfur-doped carbon on CdS photocatalyst via inhibiting reverse H2O2 decomposition. Applied Catalysis B: Environmental 284 , 119690. 10.1016/j.apcatb.2020.119690

Leteba, Gerard M., Wang, Yi-Chi, Slater, Thomas

, Cai, Rongsheng, Byrne, Conor, Race, Christopher P., Mitchell, David R. G., Levecque, Pieter B. J., Young, Neil P., Holmes, Stuart M., Walton, Alex, Kirkland, Angus I., Haigh, Sarah J. and Lang, Candace I. 2021. Oleylamine aging of PtNi nanoparticles giving enhanced functionality for the oxygen reduction reaction. Nano Letters 21 (9) , pp. 3989-3996. 10.1021/acs.nanolett.1c00706

Lewis, Richard J., Ntainjua, Edwin N., Morgan, David J.

, Davies, Thomas E., Carley, Albert F., Freakley, Simon J. and Hutchings, Graham J.

2021. Improving the performance of Pd based catalysts for the direct synthesis of hydrogen peroxide via acid incorporation during catalyst synthesis. Catalysis Communications 161 , 106358. 10.1016/j.catcom.2021.106358

Lewis, Eloise C. and Dzade, Nelson Y.

2021. First-principles density functional theory characterisation of the adsorption complexes of H3AsO3 on cobalt ferrite (Fe2CoO4) surfaces. Minerals 11 (2) , 195. 10.3390/min11020195

Li, Da, Zhang, Hao, Xiang, Hang, Rasul, Shahid, Fontmorin, Jean-Marie, Izadi, Paniz, Roldan Martinez, Alberto

, Taylor, Rebecca, Feng, Yujie, Banerji, Liam, Cowan, Alexander, Yu, Eileen Hao and Xuan, Jin 2021. How to go beyond C1 products with electrochemical reduction of CO2. Sustainable Energy & Fuels 5 (23) , 5893--5914. 10.1039/D1SE00861G

Li, Simin, Ceccato, Marcel, Lu, Xiuyuan, Frank, Sara, Lock, Nina, Roldan, Alberto, Hu, Xin-Ming, Skrydstrup, Troels and Daasbjerg, Kim 2021. Incorporation of nickel single atoms into carbon paper as self-standing electrocatalyst for CO2 reduction. Journal of Materials Chemistry A: materials for energy and sustainability 9 , pp. 1583-1592. 10.1039/D0TA08433F

Li, Simin, Zhao, Siqi, Lu, Xiuyuan, Ceccato, Marcel, Hu, Xin-Ming, Roldan, Alberto

, Catalano, Jacopo, Catalano, Jacopo, Liu, Min, Skrydstrup, Troels and Daasbjerg, Kim 2021. Low-valence Znδ+ (0<2) single-atom material as highly efficient electrocatalyst for CO2 reduction. Angewandte Chemie International Edition 60 , 22826–22832. 10.1002/anie.202107550

Li, Wei, Wang, Lingnan, Zhou, Fei, Li, Changyan, Ma, Weihua, Chen, Hao, Wang, Guirong, Pickett, John A.

, Zhou, Jing-Jiang and Lin, Yongjun 2021. Overexpression of the homoterpene synthase gene, OsCYP92C21, increases emissions of volatiles mediating tritrophic interactions in rice. Plant, Cell and Environment 44 (3) , pp. 948-963. 10.1111/pce.13924

Li, Yaqi, Guan, Shaoliang, Huo, Hua, Ma, Yulin, Gao, Yunzhi, Zuo, Pengjian and Yin, Geping 2021. A review of magnesium aluminum chloride complex electrolytes for Mg batteries. Advanced Functional Materials 31 (24) , 2100650. 10.1002/adfm.202100650

Linford-Wood, Thomas G., Coles, Nathan T.

and Webster, Ruth L. 2021. Room temperature iron catalyzed transfer hydrogenation using n-butanol and poly(methylhydrosiloxane). Green Chemistry 23 (7) , pp. 2703-2709. 10.1039/D0GC04175K

Liu, Yu, Taylor, Laurence J., Argent, Stephen P., McMaster, Jonathan and Kays, Deborah L.

2021. Group 11 m-terphenyl complexes featuring metallophilic interactions. Inorganic Chemistry 60 (14) , pp. 10114-10123. 10.1021/acs.inorgchem.0c03623

Liu, Biying, Xu, Shaojun, Zhang, Man, Li, Xin, Decarolis, Donato, Liu, Yuqian, Wang, Yuchen, Gibson, Emma K., Catlow, C. Richard A. and Yan, Kai 2021. Electrochemical upgrading of biomass-derived 5-hydroxymethylfurfural and furfural over oxygen vacancy-rich NiCoMn-layered double hydroxides nanosheets. Green Chemistry 23 (11) , pp. 4034-4043. 10.1039/D1GC00901J

Lu, Xiuyuan, Zhang, Jing, Chen, Wenkai and Roldan, Alberto

2021. Kinetic and mechanistic analysis of NH3 decomposition on Ru(0001), Ru(111) and Ir(111) surfaces. Nanoscale Advances 3 (6) , pp. 1624-1632. 10.1039/D1NA00015B

Lu, Shun, Hummel, Matthew, Gu, Zhengrong, Wang, Yucheng, Wang, Keliang, Pathak, Rajesh, Zhou, Yue, Jia, Hongxing, Qi, Xueqiang, Zhao, Xianhui, Xu, Ben Bin and Liu, Xiaoteng 2021. Highly efficient urea oxidation via nesting nano-nickel oxide in eggshell membrane-derived carbon. ACS Sustainable Chemistry and Engineering 9 (4) , 1703–1713. 10.1021/acssuschemeng.0c07614

Lu, Xiuyuan and Roldan, Alberto 2021. Are carbon-based materials good supports for the catalytic reforming of ammonia? Journal of Physical Chemistry C 125 (29) , pp. 15950-15958. 10.1021/acs.jpcc.1c03996

Luangwanta, Tawanwit, Chachvalvutikul, Auttaphon and Kaowphong, Sulawan 2021. Facile synthesis and enhanced photocatalytic activity of a novel FeVO4/Bi4O5Br2 heterojunction photocatalyst through step-scheme charge transfer mechanism. Colloids and Surfaces A: Physicochemical and Engineering Aspects 627 , 127217. 10.1016/j.colsurfa.2021.127217

Ma, Yujie, Han, Xue, Xu, Shaojun, Wang, Zi, Li, Weiyao, da Silva, Ivan, Chansai, Sarayute, Lee, Daniel, Zou, Yichao, Nikiel, Marek, Manuel, Pascal, Sheveleva, Alena M., Tuna, Floriana, McInnes, Eric J. L., Cheng, Yongqiang, Rudi?, Svemir, Ramirez-Cuesta, Anibal J., Haigh, Sarah J., Hardacre, Christopher, Schröder, Martin and Yang, Sihai 2021. Atomically dispersed copper sites in a metal-organic framework for reduction of nitrogen dioxide. Journal of the American Chemical Society 143 (29) , pp. 10977-10985. 10.1021/jacs.1c03036

MacGinley, Joseph 2021. The aerobic, partial oxidation of THPMI for the production of cashmeran. PhD Thesis, Cardiff University.
Item availability restricted.

Mala, Barbora, Murtagh, Laura E., Farrow, Charlotte M. A., Akien, Geoffrey R., Halcovich, Nathan R., Allinson, Sarah L., Platts, James A.

and Coogan, Michael P. 2021. Photochemical oxidation of Pt(IV)Me3(1,2-diimine) thiolates to luminescent Pt(IV) sulfinates. Inorganic Chemistry 60 (10) , pp. 7031-7143. 10.1021/acs.inorgchem.0c03553

Mali, Sawanta S., Patil, Jyoti V., Steele, Julian A., Rondiya, Sachin R., Dzade, Nelson Y.

and Hong, Chang Kook 2021. Implementing dopant-free hole-transporting layers and metal-incorporated CsPbI2Br for stable all-inorganic perovskite solar cells. ACS Energy Letters 6 , pp. 778-788. 10.1021/acsenergylett.0c02385

Man, Stephen

, Redman, James E.

, Cross, Deborah L., Cole, David K.

, Can, Ilona, Davies, Bethan, Hashimdeen, Shaikh Shimaz, Reid, Reiss, Llewellyn-Lacey, Sian, Miners, Kelly L., Ladell, Kristin

, Lissina, Anya, Brown, Paul E., Wooldridge, Linda, Price, David A.

and Rizkallah, Pierre J.

2021. Synthetic peptides with inadvertent chemical modifications can activate potentially autoreactive T cells. The Journal of Immunology 207 (4) , pp. 1009-1017. 10.4049/jimmunol.2000756

Martins, Guilherme M., Sbei, Najoua, Zimmer, Geórgia C. and Ahmed, Nisar

2021. C-H activation/functionalization via metalla-electrocatalysis. Khotseng, Lindiwe, ed. Electrocatalysis, Intech Open, (10.5772/intechopen.95517)

Matam, Santhosh K., Catlow, C. Richard A.

, Silverwood, Ian P. and O'Malley, Alexander J. 2021. Methanol dynamics in H-ZSM-5 with Si/Al ratio of 25: a quasi-elastic neutron scattering (QENS) study. Topics in Catalysis 64 , pp. 699-706. 10.1007/s11244-021-01450-z

Mathuri, Ashis, Pramanik, Milan, Parida, Amarchand and Mal, Prasenjit 2021. Disulfide metathesis via sulfur...iodine interaction and photoswitchability. Organic and Biomolecular Chemistry 19 (39) , pp. 8539-8543. 10.1039/D1OB01581H

Matuszewska, Oliwia 2021. Synthesis of sulfur and selenium doped anthanthrene and PXX catalysed photoredox aryl coupling reactions. PhD Thesis, Cardiff University.
Item availability restricted.

McBride, Tom 2021. Exploring reactor design to harness reactive intermediates. PhD Thesis, Cardiff University.
Item availability restricted.

McLaren, Rachel L., da Costa, Rosenildo C., Laycock, Christian J., Morgan, David J.

, Warwick, Michael E. A. and Owen, Gareth R. 2021. Oleophobic composite films based on multi-layer graphitic scaffolding. New Journal of Chemistry 45 (41) , pp. 19210-19214. 10.1039/D1NJ02727A

McMillan, Paul F., Wilding, Martin C., Catlow, C. Richard A.

and Bras, Wim 2021. Preface to the JPCM special issue on intense radiation sources in condensed matter and materials physics. Journal of Physics: Condensed Matter 33 (39) , 390401. 10.1088/1361-648X/ac1301

Mehta, Nimai 2021. Synthesis, physicochemical and atomistic analysis of templated polymerisation in metal-organic frameworks (MOFs). PhD Thesis, Cardiff University.
Item availability restricted.

Merino, Gabriel, Fernández-Herrera, María A., Soler-Illia, Galo J. A. A., Zarbin, Aldo J. G., Zuin, Vânia G., Chamorro, Eduardo, Gonzaga De Oliveira, Luciana, Mesko, Márcia Foster, Fraga, Cesar, Ibarra Alvarado, Ilich A., Dupont, Jairton, Nogueira, Ana Flávia, Graeff, Carlos F. O., Pastore, Heloise Oliveira, da Silva Júnior, Eufrânio N. and Azzaroni, Omar 2021. Introduction to celebrating Latin American talent in chemistry. RSC Advances 11 (63) , pp. 40216-40219. 10.1039/D1RA90175C

Merrikin, Danielle Amber 2021. Element specific smart media for fast, low cost, radionuclide analyses. PhD Thesis, Cardiff University.
Item availability restricted.

Mezoughi, Aysha B., Costanzo, Chiara M., Parker, Gregor M., Behiry, Enas M., Scott, Alan, Wood, Andrew C., Adams, Sarah E., Sessions, Richard B. and Loveridge, E. Joel 2021. The lysozyme inhibitor thionine acetate is also an inhibitor of the soluble lytic transglycosylase Slt35 from escherichia coli. Molecules 26 (14) , 4189. 10.3390/molecules26144189

Michereff, Mirian F. F., Grynberg, Priscila, Togawa, Roberto C., Costa, Marcos M. C., Laumann, Raúl A., Zhou, Jing-Jiang, Schimmelpfeng, Pedro H. C., Borges, Miguel, Pickett, John A.

, Birkett, Michael A. and Blassioli-Moraes, Maria Carolina 2021. Priming of indirect defence responses in maize is shown to be genotype-specific. Arthropod-Plant Interactions 15 (3) , pp. 318-328. 10.1007/s11829-021-09826-4

Mills, Emily M., Barlow, Victoria L., Jones, Arwyn T.

and Tsai, Yu-Hsuan

2021. Development of mammalian cell logic gates controlled by unnatural amino acids. Cell Reports Methods 1 (6) , 100073. 10.1016/j.crmeth.2021.100073

Mills, Emily 2021. Developing generic and modular approaches to targeted cancer cell therapeutics. PhD Thesis, Cardiff University.
Item availability restricted.

Milner, Amelia, Alshammari, Nadiyah and Platts, James A.

2021. Computational study of copper binding to DAHK peptide. Inorganica Chimica Acta 528 , 120589. 10.1016/j.ica.2021.120589

Minkiewicz, Justyna 2021. Solvothermal stability studies of porous inorganic and metal-organic materials. PhD Thesis, Cardiff University.

Item availability restricted.

Mishra, Deepak 2021. Electrochemical strategies for the generation and utilization of alkoxy radicals and alkene functionalization. PhD Thesis, Cardiff University.
Item availability restricted.

Mitchell, Claire E., Terranova, Umberto, Beale, Andrew M., Jones, Wilm, Morgan, David J.

2021. A surface oxidised Fe-S catalyst for the liquid phase hydrogenation of CO2. Catalysis Science & Technology 11 , pp. 779-784. 10.1039/D0CY01779E

Mitchell, Claire, Santos-Carballal, David, Beale, Andrew Michael, Jones, Wilm, Morgan, David John

2021. The role of surface oxidation and Fe-Ni synergy in Fe-Ni-S catalysts for CO2 hydrogenation. Faraday Discussions 230 , pp. 30-51. 10.1039/D0FD00137F

Montgomery, Clara, Vuts, Jozsef, Woodcock, Christine M., Withall, David M., Birkett, Michael A., Pickett, John

and Robert, Daniel 2021. Bumblebee electric charge stimulates floral volatile emissions in Petunia integrifolia but not in Antirrhinum majus. The Science of Nature 108 (44) 10.1007/s00114-021-01740-2

Morgan, David J.

2021. Core-level reference spectra for bulk graphitic carbon nitride (g-C3N4). Surface Science Spectra 28 (1) , 014007. 10.1116/6.0001083

Morgan, David J.

2021. Comments on the XPS analysis of carbon materials. C - An Open Access Journal of Carbon Research 7 (3) , 51. 10.3390/c7030051

Morvan, Jennifer, McBride, Tom, Curbet, Idriss, Colombel-Rouen, Sophie, Roisnel, Thierry, Crévisy, Christophe, Browne, Duncan L.

and Mauduit, Marc 2021. Continuous flow Z-stereoselective Olefin Metathesis: development and applications in the synthesis of pheromones and macrocyclic odorant molecules. Angewandte Chemie International Edition 60 (36) , pp. 19685-19690. 10.1002/anie.202106410

Najafishirtari, Sharif, Friedel Ortega, Klaus, Douthwaite, Mark, Pattisson, Samuel, Hutchings, Graham J.

, Bondue, Christoph J., Tschulik, Kristina, Waffel, Daniel, Peng, Baoxiang, Deitermann, Michel, Busser, G. Wilma, Muhler, Martin and Behrens, Malte 2021. A perspective on heterogeneous catalysts for the selective oxidation of alcohols. Chemistry - A European Journal 27 (68) , pp. 16809-16833. 10.1002/chem.202102868

Nasane, Mamta P., Rondiya, Sachin R., Jadhav, Chandradip D., Rahane, Ganesh, Cross, Russell William, Jathar, Sagar, Jadhav, Yogesh, Barma, Sunil, Nilegave, Dhanraj, Jadkar, Vijaya, Rokade, Avinash, Funde, Adinath M, Chavan, Padmakar G., Hoye, Robert L Z, Dzade, Nelson Yaw

and Jadkar, Sandesh R 2021. An interlinked computational-experimental investigation into SnS nano-flakes for field emission application. New Journal of Chemistry 45 , pp. 11768-11779. 10.1039/D1NJ00902H

Nasrallah, Ali, Engel, Julien

and Willock, David J.

2021. Density functional theory study of the partial oxidation of methane to methanol on Au and Pd surfaces. Journal of Physical Chemistry C 125 (34) , 18770–18785. 10.1021/acs.jpcc.1c06206

Nastase, Stefan A. F., Logsdail, Andrew J.

and Catlow, C. Richard A. 2021. QM/MM study of the reactivity of zeolite bound methoxy and carbene groups. Physical Chemistry Chemical Physics 23 (32) , pp. 17634-17644. 10.1039/D1CP02535J

Nastase, Stefan Adrian F., Catlow, C. Richard A. and Logsdail, Andrew J

2021. QM/MM study of the stability of dimethyl ether in zeolites H-ZSM-5 and H-Y. Physical Chemistry Chemical Physics 23 (3) , pp. 2088-2096. 10.1039/D0CP05392A

Navar, Ricardo 2021. Continuous sugar upgrading using Lewis acid catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Negahdar, Leila, Omori, Naomi E., Quesne, Matthew G., Frogley, Mark D., Cacho-Nerin, Fernando, Jones, Wilm, Price, Stephen W. T., Catlow, C. Richard A.

and Beale, Andrew M. 2021. Elucidating the significance of copper and nitrate speciation in Cu-SSZ-13 for N2O formation during NH3-SCR. ACS Catalysis 11 (21) , 13091–13101. 10.1021/acscatal.1c03174

Nicholson, William I., Howard, Joseph L., Magri, Giuseppina, Seastram, Alex C., Khan, Adam, Bolt, Robert R. A., Morrill, Louis C.

and Browne, Duncan L.

2021. Ball-milling-enabled reactivity of manganese metal. Angewandte Chemie International Edition 60 (43) , pp. 23128-23133. 10.1002/anie.202108752

Nicholson, William I., Barreteau, Fabien, Leitch, Jamie A., Payne, Riley, Priestley, Ian, Godineau, Edouard, Battilocchio, Claudio and Browne, Duncan L.

2021. Direct amidation of esters by ball milling**. Angewandte Chemie International Edition 60 (40) , pp. 21868-21874. 10.1002/anie.202106412

Nicholson, William 2021. Shaken not stirred: unleashing the potential of mechanochemical synthesis. PhD Thesis, Cardiff University.
Item availability restricted.

Nodling, Alexander Roland, Santi, Nicolò

, Castillo, Raquel, Lipka-Lloyd, Magdalena, Jin, Yi

, Morrill, Louis Christian

, Swiderek, Katarzyna, Moliner, Vicent and Luk, Louis Y. P.

2021. The role of protein environment in catalysis by biotinylated secondary amines. Organic and Biomolecular Chemistry 19 , pp. 10424-10431. 10.1039/D1OB01947C

Nowicka, Ewa, Meenakshisundaram, Sankar

, Jenkins, Robert, Knight, David W., Willock, David J.

, Francisco, Manuel and Taylor, Stuart H.

2021. Controlled reduction of aromaticity of alkylated polyaromatic compounds by selective oxidation using H2WO4, H3PO4 and H2O2: A route for upgrading heavy oil fractions. New Journal of Chemistry 45 (31) , pp. 13885-13892. 10.1039/D1NJ01986D

Nyepetsi, M., Mbaiwa, F., Oyetunji, O.A., Dzade, N.Y.

and De Leeuw, N.H.

2021. The carbonate-catalysed transesterification of sunflower oil for biodiesel production: in situ monitoring and density functional theory calculations. South African Journal of Chemistry 74 (se1) , pp. 42-49.

Omojola, Toyin, Logsdail, Andrew J.

, van Veen, André C. and Nastase, Stefan Adrian F. 2021. A quantitative multiscale perspective on primary olefin formation from methanol. Physical Chemistry Chemical Physics 23 (38) , pp. 21437-21469. 10.1039/D1CP02551A

Ortmayer, Mary, Hardy, Florence J., Quesne, Matthew G., Fisher, Karl, Levy, Colin, Heyes, Derren J., Catlow, C. Richard A., de Visser, Sam P., Rigby, Stephen E. J., Hay, Sam and Green, Anthony P. 2021. A noncanonical tryptophan analogue reveals an active site hydrogen bond controlling ferryl reactivity in a heme peroxidase. JACS Au 1 (7) 10.1021/jacsau.1c00145

Otaif, Haleema Y., Adams, Samuel J., Horton, Peter N., Coles, Simon J., Beames, Joseph M.

2021. Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies. RSC Advances 11 (63) , 39718–39727. 10.1039/D1RA07213G

Paganini, Maria Cristina and Cerrato, Erik 2021. Photoactive systems based on semiconducting metal oxides. Lopez, Elisa Garcia and Palmisano, Leonardo, eds. Materials Science in Photocatalysis, Elsevier, pp. 221-234.

Palacios, Maria-Luisa, Golunski, Stan

, Hutchings, Graham J

2021. Characterisation and activity of mixed metal oxide catalysts for the gas-phase selective oxidation of toluene. Catalysis Today 363 , pp. 73-84. 10.1016/j.cattod.2019.06.001

Panchal, Monik, Callison, June, Skukauskas, Vainius, Gianolio, Diego, Cibin, Giannantonio, York, Andrew P. E., Schuster, Manfred E., Hyde, Timothy I., Collier, Paul, Catlow, C. Richard A. and Gibson, Emma K. 2021. Operando XAFS investigation on the effect of ash deposition on three-way catalyst used in gasoline particulate filters and the effect of the manufacturing process on the catalytic activity. Journal of Physics: Condensed Matter 33 (28) , 284001. 10.1088/1361-648X/abfe16

Pandharkar, Subhash, Punde, Ashvini, Nasane, Mamta, Doiphode, Vidya, Shinde, Pratibha, Vairale, Priti, Hase, Yogesh, Bhorde, Ajinkya, Waghmare, Ashish, Rondiya, Sachin, Prasad, Mohit and Jadkar, Sandesh 2021. Soft annealing effect on the properties of sputter grown Cu2ZnSnS4 (CZTS) thin films for solar cell applications. Materials Today: Proceedings 34 (3) , pp. 690-696. 10.1016/j.matpr.2020.03.652

Pandit, Bidhan, Rondiya, Sachin R., Shegokar, Shyamal, Bommineedi, Lakshmana K., Cross, Russell William, Dzade, Nelson Yaw

and Sankapal, Babasaheb R. 2021. Reciprocated electrochemical and DFT investigations of iron selenide: mechanically bendable solid-state symmetric supercapacitor. Sustainable Energy & Fuels 5 (19) , pp. 5001-5012. 10.1039/D1SE00074H

Pandit, Bidhan, Rondiya, Sachin R., Dzade, Nelson Y.

, Shaikh, Shoyebmohamad F., Kumar, Nitish, Goda, Emad S., Al-Kahtani, Abdullah A., Mane, Rajaram S., Mathur, Sanjay and Salunkhe, Rahul R. 2021. High stability and long cycle life of rechargeable sodium-ion battery using manganese oxide cathode: a combined density functional theory (DFT) and experimental study. ACS Applied Materials and Interfaces 13 (9) , pp. 11433-11441. 10.1021/acsami.0c21081

Parker, Qamreen, Bell, Robert G. and de Leeuw, Nora H.

2021. Structural and dynamical properties of ionic liquids: a molecular dynamics study employing DL_POLY 4. Molecular Simulation 47 (2-3) , pp. 152-160. 10.1080/08927022.2019.1651931

Partridge, Suzanne J., Withall, David M., Caulfield, John C., Pickett, John A.

, Stockman, Robert A., Oldham, Neil J. and Birkett, Michael A. 2021. Iridoid sex pheromone biosynthesis in aphids mimics iridoid‐producing plants. Chemistry - A European Journal 27 (25) , pp. 7231-7234. 10.1002/chem.202001356

Patil, Girish P., Rondiya, Sachin R., Bagal, Vivekanand S., Shivhare, Sugam, Cross, Russell W., Dzade, Nelson Y.

, Jadkar, Sandesh R. and Chavan, Padmakar. G. 2021. Field emission characteristics of double walled TiO2 nanotubes. ES Materials & Manufacturing 13 , pp. 76-81. 10.30919/esmm5f1143

Patil, Madhuri S., Kitchamsetti, Narasimharao, Mulani, Sameena R., Rondiya, Sachin R., Deshpande, Nishad G., Patil, Ranjit A., Cross, Russell W., Dzade, Nelson Y.

, Sharma, Kirankumar K., Patil, Pramod S., Ma, Yuan-Ron, Cho, Hyung Koun and Devan, Rupesh S. 2021. Photocatalytic behavior of Ba(Sb/Ta)2O6 perovskite for reduction of organic pollutants: Experimental and DFT correlation. Journal of the Taiwan Institute of Chemical Engineers 122 , pp. 201-209. 10.1016/j.jtice.2021.04.032

Patil, Pramila, Mann, Dilpreet Singh, Rondiya, Sachin R., Dzade, Nelson Y.

, Kwon, Sung-Nam and Na, Seok-In 2021. Enhanced performance of perovskite solar cells via reactive post-treatment process utilizing guanidine acetate as interface modifier. Solar RRL 5 (11) , 2100547. 10.1002/solr.202100547

Patra, Tuhin, Das, Mowpriya, Daniliuc, Constantin G. and Glorius, Frank 2021. Metal-free photosensitized oxyimination of unactivated alkenes with bifunctional oxime carbonates. Nature Catalysis 4 (1) , pp. 54-61. 10.1038/s41929-020-00553-2

Pei, Guang X., Dzade, Nelson Y.

, Zhang, Yue, Hofmann, Jan P., De Leeuw, Nora H.

and Weckhuysen, Bert M. 2021. Identification of photoexcited electron relaxation in a cobalt phosphide modified carbon nitride photocatalyst. Chemphotochem 5 (4) , pp. 330-334. 10.1002/cptc.202000259

Peng, Gongming, Humblot, Anaelle, Wischert, Raphael, De Oliveira Vigier, Karine, Jiang, Fan, Pera-Titus, Marc and Jérôme, François 2021. Selective acid-catalyzed hydroarylation of nonactivated alkenes with aniline assisted by hexafluoroisopropanol. Journal of Organic Chemistry 86 (24) , pp. 17896-17905. 10.1021/acs.joc.1c02197

Pezzetta, Cristofer, Folli, Andrea

, Matuszewska, Oliwia, Murphy, Damien

, Davidson, Robert W. M. and Bonifazi, Davide

2021. peri‐xanthenoxanthene (PXX): a versatile organic photocatalyst in organic synthesis. Advanced Synthesis and Catalysis 363 (20) , pp. 4740-4753. 10.1002/adsc.202100030

Phaahla, Tshegofatso M., Sokol, Alexey A., Catlow, Charles R. A.

, Woodley, Scott M., Ngoepe, Phuti E. and Chauke, Hasani R. 2021. The thermal agitated phase transitions on the Ti32 nanocluster: a molecular dynamics simulation study. South African Journal of Chemistry 74 , 17–22. 10.17159/0379-4350/2021/v74a4

Philippe Bargiela, Pascal, Fernandez, Vincent, Cardinaud, Christophe, Walton, John, Greiner, Mark, Morgan, David

, Fairley, Neal and Baltrusaitis, Jonas 2021. Towards a reliable assessment of charging effects during surface analysis: accurate spectral shapes of ZrO2 and Pd/ZrO2 via X-ray Photoelectron Spectroscopy. Applied Surface Science 566 , 150728. 10.1016/j.apsusc.2021.150728

Pimpao, Catarina, Wragg, Darren, Bonsignore, Riccardo, Aikman, Brech, Pedersen, Per Amstrup, Leoni, Stefano

, Soveral, Graça and Casini, Angela

2021. Mechanisms of irreversible aquaporin-10 inhibition by organogold compounds studied by combined biophysical methods and atomistic simulations. Metallomics 13 (9) , mfab053. 10.1093/mtomcs/mfab053

Pope, Simon J.

, Elgar, Christopher E., Otaif, Haleema Y., Zhang, Xue, Zhao, Jianzhang, Beames, Joseph M.

, Horton, Peter N. and Coles, Simon J. 2021. Iridium(III) sensitizers and energy upconversion: the influence of ligand structure upon TTA-UC performance. Chemistry - A European Journal 27 (10) , pp. 3427-3439. 10.1002/chem.202004146

Pospiech, Mateusz, Owens, Siân E., Miller, David J., Austin-Muttitt, Karl, Mullins, Jonathan G. L., Cronin, James G., Allemann, Rudolf K.

and Sheldon, I. Martin 2021. Bisphosphonate inhibitors of squalene synthase protect cells against cholesterol-dependent cytolysins. FASEB Journal 35 (6) , e21640. 10.1096/fj.202100164R

Pradhan, Tapas R.

, Paudel, Mukti, Harper, Jordan L., Cheong, Paul Ha-Yeon and Park, Jin Kyoon 2021. Characterization and utilization of the elusive α,β-unsaturated N-tosyliminium: the synthesis of highly functionalizable skipped halo enynes. Organic Letters 23 (4) , 1427–1433. 10.1021/acs.orglett.1c00103

Pramanik, Milan, Mathuri, Ashis and Mal, Prasenjit 2021. Sulfur...oxygen interaction-controlled (Z)-selective anti-Markovnikov vinyl sulfides. Chemical Communications 57 (46) , pp. 5698-5701. 10.1039/D1CC01257F

Pramanik, Milan, Mathuri, Ashis, Sau, Sudip, Das, Monojit and Mal, Prasenjit 2021. Chlorinative cyclization of Aryl Alkynoates using NCS and 9-Mesityl-10-methylacridinium Perchlorate Photocatalyst. Organic Letters 23 (20) , 8088–8092. 10.1021/acs.orglett.1c03100

Qu, Yingmin, Li, Ganggang, Zhao, Ting, Zhang, Zhongshen, Douthwaite, Mark, Zhang, Jing and Hao, Zhengping 2021. Low-temperature direct dehydrogenation of propane over binary oxide catalysts: insights into geometric effects and active sites. ACS Sustainable Chemistry and Engineering 9 (38) , 12755–12765. 10.1021/acssuschemeng.1c03074

Quesne, Matthew, Catlow, C. Richard A. and De Leeuw, Nora Henriette

2021. How bulk and surface properties of Ti4SiC3, V4SiC3, Nb4SiC3 and Zr4SiC3 tune reactivity: a computational study. Faraday Discussions 230 , pp. 87-99. 10.1039/D1FD00004G

Reed-Berendt, Benjamin G., Latham, Daniel E., Dambatta, Mubarak B. and Morrill, Louis C.

2021. Borrowing hydrogen for organic synthesis. ACS Central Science 7 (4) , pp. 570-585. 10.1021/acscentsci.1c00125

Rhys, Guto G., Dawson, William M., Beesley, Joseph L., Martin, Freddie J. O., Brady, R. Leo, Thomson, Andrew R. and Woolfson, Derek N. 2021. How coiled-coil assemblies accommodate multiple aromatic residues. Biomacromolecules 22 (5) 10.1021/acs.biomac.1c00131

Richards, Thomas, Harrhy, Jonathan, Lewis, Richard, Howe, Alexander, Suldecki, Grzegorz, Folli, Andrea

, Davies, Thomas, Loveridge, Joel, Crole, David, Edwards, Jennifer

, Kiely, Christopher John

, He, Qian

, Maillard, Jean-Yves

, Freakley, Simon, Hutchings, Graham

and Morgan, David

2021. A residue-free approach to water disinfection using catalytic in situ generation of reactive oxygen species. Nature Catalysis 4 , pp. 575-585. 10.1038/s41929-021-00642-w

Riegert, Alexander S., Narindoshvili, Tamari, Coricello, Adriana, Richards, Nigel G. J.

and Raushel, Frank M. 2021. Functional characterization of two PLP-dependent enzymes involved in capsular polysaccharide biosynthesis from campylobacter jejuni. Biochemistry 60 (37) , 2836–2843. 10.1021/acs.biochem.1c00439

Riley, William, Jones, Andrew C., Singh, Kuldip, Browne, Duncan L.

and Stuart, Alison M. 2021. Accessing novel fluorinated heterocycles with the hypervalent fluoroiodane reagent by solution and mechanochemical synthesis. Chemical Communications 57 (60) , pp. 7406-7409. 10.1039/D1CC02587B

Rodrigues, Maria Paula de Souza, Dourado, Andre H. B., Cutolo, Leonardo de O., Parreira, Luanna S., Alves, Tiago Vinicius, Slater, Thomas J. A.

, Haigh, Sarah J., Camargo, Pedro H. and Cordoba de Torresi, Susana Ines 2021. Gold–rhodium nanoflowers for the plasmon-enhanced hydrogen evolution reaction under visible light. ACS Catalysis 11 (21) , pp. 13543-13555. 10.1021/acscatal.1c02938

Rogers, Owen 2021. The synthesis of adipic acid from cyclohexene utilising green procedures. PhD Thesis, Cardiff University.

Item availability restricted.

Rondiya, Sachin R., Buldu, Dilara Gokcen, Brammertz, Guy, Jadhav, Yogesh, Cross, Russell William, Ghosh, Hirendra N., Davies, Thomas, Jadkar, Sandesh R., Dzade, Nelson Yaw

and Vermang, Bart 2021. Revealing the electronic structure, heterojunction band offset and alignment of Cu2ZnGeSe4: a combined experimental and computational study towards photovoltaic applications. Physical Chemistry Chemical Physics 23 (15) , pp. 9553-9560. 10.1039/D0CP06143C

Ruiz Esquius, Jonathan, Bahruji, Hasliza, Bowker, Michael

2021. Identification of C2-C5 products from CO2 hydrogenation over PdZn/TiO2-ZSM-5 hybrid catalysts. Faraday Discussions 230 , pp. 52-67. 10.1039/D0FD00135J

Sainna, Mala, Nanavati, Sachin

, Black, Constance, Smith, Louise, Mugford, Karl, Jenkins, Harry, Douthwaite, Mark, Dummer, Nicholas

and Willock, David

2021. A combined periodic DFT and QM/MM approach to understand the radical mechanism of the catalytic production of methanol from glycerol. Faraday Discussions 229 , pp. 108-130. 10.1039/D0FD00005A

Saleh, Basil A., Smith, Keith, Elliott, Mark C.

and El-Hiti, Gamal A. 2021. Reactions between lithiated 1,3-dithiane oxides and trialkylboranes. Journal of Sulfur Chemistry 42 (6) , pp. 591-603. 10.1080/17415993.2021.1971670

Sama, Folasade Josephine 2021. New homogenous and heterogenised catalysts for bioethanol upgrading to advanced biofuels. PhD Thesis, Cardiff University.
Item availability restricted.

Sanchis, Rut, García, Adrián, Ivars-Barceló, Francisco, Taylor, Stuart H.

, García, Tomás, Dejoz, Ana, Vázquez, María Isabel and Solsona, Benjamín 2021. Highly active Co3O4-based catalysts for total oxidation of light C1-C3 alkanes prepared by a simple soft chemistry method: effect of the heat-treatment temperature and mixture of alkanes. Materials 14 (23) , 7120. 10.3390/ma14237120

Santi, Nicolò

, Morrill, Louis Christian

, Swiderek, Katarzyna, Moliner, Vicent and Luk, Louis Y. P.

2021. Transfer hydrogenations catalyzed by streptavidin-hosted secondary amine organocatalyst. Chemical Communications 57 (15) , pp. 1919-1922. 10.1039/D0CC08142F

Santos, Alba, Lewis, Richard J., Morgan, David J.

, Davies, Thomas E., Hampton, Euan, Gaskin, Paul and Hutchings, Graham J.

2021. The degradation of phenol via in situ H2O2 production over supported Pd-based catalysts. Catalysis Science & Technology 11 (24) , pp. 7866-7874. 10.1039/D1CY01897C

Santos-Carballal, David

, Roldan, Alberto and De Leeuw, Nora Henriette

2021. CO2 reduction to acetic acid on the greigite Fe3S4{111} surface. Faraday Discussions 229 , pp. 35-49. 10.1039/C9FD00141G

Sarma, Plaban Jyoti, Dowerah, Dikshita, Gour, Nand Kishor, Logsdail, Andrew J.

and Deka, Ramesh 2021. Tuning the transition barrier of H2 dissociation in the hydrogenation of CO2 to formic acid on Ti-doped Sn2O4 cluster. Physical Chemistry Chemical Physics 23 (1) , pp. 204-210. 10.1039/D0CP04472E

Sbei, Najoua, Aslam, Samina and Ahmed, Nisar

2021. Organic synthesis via Kolbe and related non-Kolbe electrolysis: an enabling electro-strategy. Reaction Chemistry and Engineering 6 (8) , pp. 1342-1366. 10.1039/D1RE00047K

Sbei, Najoua, Hardwick, Tomas and Ahmed, Nisar

2021. Green chemistry: electrochemical organic transformations via paired electrolysis. ACS Sustainable Chemistry and Engineering 9 (18) , 6148–6169. 10.1021/acssuschemeng.1c00665

Schepelmann, Martin, Kupper, Nadja, Sladczyk, Marta, Mansfield, Bethan, Manhardt, Teresa, Piatek, Karina, Iamartino, Luca, Riccardi, Daniela

, Bassetto, Marcella and Kallay, Enikö 2021. Stereo-specific modulation of the extracellular calcium-sensing receptor in colon cancer cells. International Journal of Molecular Sciences 22 (18) , 10124. 10.3390/ijms221810124

Schick, Lukas, González-Alfaro, Vicenta, García, Adrián, López, J.M., Morgan, David J.

, Agouram, Said, Taylor, Stuart H.

, García, Tomás and Solsona, Benjamin 2021. Supported iridium catalysts for the total oxidation of short chain alkanes and their mixtures: influence of the support. Chemical Engineering Journal 417 , 127999. 10.1016/j.cej.2020.127999

Schwenzer, Hagen, De Zan, Erica, Elshani, Mustafa, van Stiphout, Ruud, Kudsy, Mary, Morris, Josephine, Ferrari, Valentina

, Um, In Hwa, Chettle, James, Kazmi, Farasat, Campo, Leticia, Easton, Alistair, Nijman, Sebastian, Serpi, Michaela

, Symeonides, Stefan, Plummer, Ruth, Harrison, David J., Bond, Gareth and Blagden, Sarah P. 2021. The novel nucleoside analogue ProTide NUC-7738 overcomes cancer resistance mechanisms in vitro and in a first-in-human Phase 1 clinical trial. Clinical Cancer Research 27 (23) , pp. 6500-6513. 10.1158/1078-0432.CCR-21-1652

Scott, Alan F., Deery, Evelyne, Lawrence, Andrew D. and Warren, Martin J. 2021. Plasmodium falciparum hydroxymethylbilane synthase does not house any cosynthase activity within the haem biosynthetic pathway. Microbiology 167 (10) , 001095. 10.1099/mic.0.001095

Seitz, Jakob and Wirth, Thomas

2021. Electrochemical bromofunctionalization of alkenes in a flow reactor. Organic and Biomolecular Chemistry 19 (31) , pp. 6892-6896. 10.1039/D1OB01302E

Serpi, Michaela

and Pertusati, Fabrizio

2021. An overview of ProTide technology and its implications to drug discovery. Expert Opinion on Drug Discovery 16 (10) , 1149--1161. 10.1080/17460441.2021.1922385

Sha, Jin, Kusema, Bright T., Zhou, Wen-Juan, Yan, Zhen, Streiff, Stephane and Pera-Titus, Marc 2021. Single-reactor tandem oxidation–amination process for the synthesis of furan diamines from 5-hydroxymethylfurfural. Green Chemistry 23 (18) , pp. 7093-7099. 10.1039/D1GC01621K

Sharma, Gitanjali, Newman, Paul D.

and Platts, James A.

2021. A review of quantum chemical studies of frustrated Lewis pairs. Journal of Molecular Graphics and Modelling 105 , 107846. 10.1016/j.jmgm.2021.107846

Sharma, Pankaj

, Han, Jinhyup, Park, Jaehyun, Kim, Dong Yeon, Lee, Jinho, Oh, Dongrak, Kim, Namsu, Seo, Dong-Hwa, Kim, Youngsik, Kang, Seok Ju, Hwang, Soo Min and Jang, Ji-Wook 2021. Alkali-metal-mediated reversible chemical hydrogen storage using seawater. JACS Au 1 (12) , pp. 2339-2348. 10.1021/jacsau.1c00444

Shaw, Alexander, Zhang, Xiaolei, Kabalan, Lara and Li, Jun 2021. Mechanistic and kinetic investigation on maximizing the formation of levoglucosan from cellulose during biomass pyrolysis. Fuel 286 (P2) , 119444. 10.1016/j.fuel.2020.119444

Shoetan, Ibrahim 2021. Applications of N-heterocyclic carbenes. PhD Thesis, Cardiff University.
Item availability restricted.

Singh, Fateh V. and Wirth, Thomas

2021. Hypervalent iodine chemistry and light: photochemical reactions involving hypervalent iodine Chemistry. ARKIVOC 2021 (7) , pp. 12-47. 10.24820/ark.5550190.p011.483

Slusarczyk, Magdalena

, Serpi, Michaela

, Ghazaly, Essam, Kariuki, Benson M.

, McGuigan, Christopher

and Pepper, Chris 2021. Single diastereomers of the clinical anticancer ProTide agents NUC-1031 and NUC-3373 preferentially target cancer stem cells in vitro. Journal of Medicinal Chemistry 64 (12) , pp. 8179-8193. 10.1021/acs.jmedchem.0c02194

Smallman, Harry R., Leitch, Jamie A., McBride, Tom, Ley, Steven V. and Browne, Duncan L. 2021. Formation and utility of reactive ketene intermediates under continuous flow conditions. Tetrahedron 93 , 132305. 10.1016/j.tet.2021.132305

Smith, Daniel A.

, Simpson, Kate, Lo Cicero, Matteo, Newbury, Lucy J., Nicholas, Philip, Fraser, Donald J.

, Caiger, Nigel, Redman, James E.

and Bowen, Timothy

2021. Detection of urinary microRNA biomarkers using diazo sulfonamide-modified screen printed carbon electrodes. RSC Advances 11 (31) , pp. 18832-18839. 10.1039/D0RA09874D

Smith, Louise R., Sainna, Mala A., Douthwaite, Mark, Davies, Thomas E., Dummer, Nicholas F.

, Knight, David W., Catlow, C. Richard A.

2021. Gas phase clycerol valorization over ceria nanostructures with well-defined morphologies. ACS Catalysis 11 , pp. 4893-4907. 10.1021/acscatal.0c05606

Smith, Keith, Al-Khalaf, Alaa K. H., Berkil Akar, Kıymet, Al-Badri, Doaa J. K., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. Effects of structured solids on regioselectivity of dibromination of naphthalene. Catalysts 11 (5) , 540. 10.3390/catal11050540

Smith, Keith and El-Hiti, Gamal A.

2021. Development of efficient and selective processes for the synthesis of commercially important chlorinated phenols. Organics 2 (3) , pp. 142-160. 10.3390/org2030012

Smith, Keith, Saleh, Basil A., Alshammari, Mohammed B., El-Hiti, Gamal A. and Elliott, Mark

2021. Studies on a catalytic version of the Matteson asymmetric homologation reaction. Organic and Biomolecular Chemistry (19) , pp. 4279-4284. 10.1039/d1ob00604e

Sneyd, Alexander J., Fukui, Tomoya, Palecek, David, Prodhan, Suryoday, Wagner, Isabella, Zhang, Yifan, Sung, Jooyoung, Collins, Sean M., Slater, Thomas J. A.

, Andaji-Gamaroudi, Zahra, MacFarlane, Liam R., Garcia-Hernandez, J. Diego, Wang, Linjun, Whittell, George R., Hodgkiss, Justin M., Chen, Kai, Beljonne, David, Manners, Ian, Friend, Richard and Rao, Akshay 2021. Efficient energy transport in an organic semiconductor mediated by transient exciton delocalization. Science Advances 7 (32) 10.1126/sciadv.abh4232

Spencer, Jacob N., Folli, Andrea

, Ren, Hong and Murphy, Damien M.

2021. An EPR Investigation of defect structure and electron transfer mechanism in mixed-conductive LiBO2-V2O5 glasses. Journal of Materials Chemistry A: materials for energy and sustainability 9 (31) , pp. 16917-16927. 10.1039/D1TA02352G

Spencer, Jacob 2021. An Electron Paramagnetic Resonance (EPR) study of battery and functional materials. PhD Thesis, Cardiff University.

Item availability restricted.

Srivastava, Prabhakar L.

, Escorcia, Andrés M., Huynh, Florence, Miller, David J., Allemann, Rudolf K.

and van der Kamp, Marc W. 2021. Redesigning the molecular choreography to prevent hydroxylation in Germacradien-11-ol synthase catalysis. ACS Catalysis 11 (3) , 1033–1041. 10.1021/acscatal.0c04647

Stanton, Stephen A., Du, Jonathan J., Lai, Felcia, Stanton, Gyte, Hawkins, Bryson A., Ong, Jennifer A., Groundwater, Paul W., Platts, James A.

and Hibbs, David E. 2021. Understanding hygroscopicity of theophylline via a novel cocrystal polymorph: a charge density study. The Journal of Physical Chemistry A 125 (45) , 9736–9756. 10.1021/acs.jpca.0c09536

Stefkova, Katarina, Carden, Jamie L. and Melen, Rebecca L.

2021. Frustrated Lewis pairs in catalysis. Chemistry, Molecular Sciences and Chemical Engineering, Elsevier Reference Collection, Elsevier, (10.1016/B978-0-12-823144-9.00011-X)

Stefkova, Katarina, Heard, Matthew J., Dasgupta, Ayan and Melen, Rebecca L.

2021. Borane catalysed cyclopropenation of arylacetylenes. Chemical Communications 57 (55) , pp. 6736-6739. 10.1039/D1CC01856F

Subrizi, Fabiana, Wang, Yu, Thair, Benjamin, Méndez-Sánchez, Daniel, Roddan, Rebbeca, Cárdenas-Fernández, Max, Siegrist, Jutta, Richter, Micheal, Andexer, Jennifer, Ward, John and Hailes, Helen 2021. Multienzyme one-pot cascades incorporating methyltransferases for the strategic diversification of tetrahydroisoquinoline alkaloids. Angewandte Chemie International Edition 60 (34) , pp. 18673-18679. 10.1002/anie.202104476

Sun, Hongman, Wang, Yehong, Xu, Shaojun, Osman, Ahmed I., Stenning, Gavin, Han, Jianyu, Sun, Shuzhuang, Rooney, David, Williams, Paul T., Wang, Feng and Wu, Chunfei 2021. Understanding the interaction between active sites and sorbents during the integrated carbon capture and utilization process. Fuel 286 , 119308. 10.1016/j.fuel.2020.119308

Sun, Songmei, Barnes, Alexandra J., Gong, Xiaoxiao, Lewis, Richard J., Dummer, Nicholas F.

, Bere, Takudzwa, Shaw, Greg, Richards, Nia, Morgan, David J.

2021. Lanthanum modified Fe-ZSM-5 zeolites for selective methane oxidation with H2O2. Catalysis Science & Technology 11 (24) , pp. 8052-8064. 10.1039/D1CY01643A

Tang, Tsz Man Simon Louis and Luk, Louis Y. P.

2021. Asparaginyl endopeptidases: enzymology, applications and limitations. Organic and Biomolecular Chemistry 19 (23) , pp. 5048-5062. 10.1039/D1OB00608H

Tang, Tsz Man 2021. Improving the use of asparaginyl endopeptidase for biocatalytic applications. PhD Thesis, Cardiff University.
Item availability restricted.

Tariq, Anisa, Ruiz Esquius, Jonathan, Davies, Thomas E., Bowker, Michael

2021. Combination of Cu/ZnO methanol synthesis catalysts and ZSM-5 zeolites to produce oxygenates from CO2 and H2. Topics in Catalysis 64 , pp. 965-973. 10.1007/s11244-021-01447-8

Thawarkar, Sachin, Rondiya, Sachin R., Rana, Prem Jyoti Singh, Narayan, Ramanuj, Dzade, Nelson Y.

and Singh, Surya Prakash 2021. Structural and optical properties of ionic liquid based hybrid perovskitoid: a combined experimental and theoretical investigation. Functional Materials Letters 14 (4) , 2150008. 10.1142/S1793604721500089

Thawarkar, Sachin, Rondiya, Sachin, Dzade, Nelson

, Khupse, Nageshwar and Jadkar, Sandesh R. 2021. Experimental and theoretical investigation on dtructural and Opto-electronic properties of Fe-doped lead-free Cs2AgBiCl6 double perovskite. Chemistry - A European Journal 27 (26) , pp. 7408-7417. 10.1002/chem.202004902

Thomas, Sophie 2021. Catalysis in cells for therapeutic applications. PhD Thesis, Cardiff University.
Item availability restricted.

Thomas, Sophie R. and Casini, Angela

2021. N-Heterocyclic carbenes as “smart” gold nanoparticle stabilizers: state-of-the art and perspectives for biomedical applications. Journal of Organometallic Chemistry 938 , 121743. 10.1016/j.jorganchem.2021.121743

Tierney, George F., Alijani, Shahram, Panchal, Monik, Decarolis, Donato, Gutierrez, Martha Briceno, Mohammed, Khaled M. H., Callison, June, Gibson, Emma K., Thompson, Paul B. J., Collier, Paul, Dimitratos, Nikolaos, Corbos, E. Crina, Pelletier, Frederic, Villa, Alberto and Wells, Peter P. 2021. Controlling the production of acid catalyzed products of furfural hydrogenation by Pd/TiO2. ChemCatChem 13 (24) , pp. 5121-5133. 10.1002/cctc.202101036

Trenholme, William J. F., Kolokolov, Daniil I., Bound, Michelle, Argent, Stephen P., Gould, Jamie A., Li, Jiangnan, Barnett, Sarah A., Blake, Alexander J., Stepanov, Alexander G., Besley, Elena, Easun, Timothy L.

, Yang, Sihai and Schröder, Martin 2021. Selective gas uptake and rotational dynamics in a (3,24)-connected metal-organic framework material. Journal of the American Chemical Society 143 (9) , pp. 3348-3358. 10.1021/jacs.0c11202

Tsuru, Shota, Vidal, Marta L., Pápai, Mátyás, Krylov, Anna I., Møller, Klaus B. and Coriani, Sonia 2021. An assessment of different electronic structure approaches for modeling time-resolved x-ray absorption spectroscopy. Structural Dynamics 8 (2) , 024101. 10.1063/4.0000070

Ubler, Martin 2021. Towards light induced apoptosis - investigating the application of a red-shifted photoswitch to induce cell death. PhD Thesis, Cardiff University.
Item availability restricted.

Underhill, Ricci, Douthwaite, Mark, Lewis, Richard J., Miedziak, Peter J., Armstrong, Robert D., Morgan, David J.

, Freakley, Simon J., Davies, Thomas, Folli, Andrea

, He, Qian

, Akdim, Ouardia, Edwards, Jennifer K.

2021. Ambient base-free glycerol oxidation over bimetallic PdFe/SiO2 by in situ generated active oxygen species. Research on Chemical Intermediates 47 , pp. 303-324. 10.1007/s11164-020-04333-2

Ungerer, Marietjie J.

, Santos Carballal, David

, De Leeuw, Nora H.

and van Sittert, Cornelia 2021. Competitive adsorption of H2O and SO2 on catalytic platinum surfaces: a density functional theory study. South African Journal of Chemistry 74 (1) , pp. 57-68. 10.17159/0379-4350/2020/v74a00

Ungerer, Marietjie J.

, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H.

2021. Behavior of S, SO, and SO3 on Pt (001), (011), and (111) surfaces: a DFT study. The Journal of Chemical Physics 154 (19) , 194701. 10.1063/5.0043501

Valentine, Andrew J., Geer, Ana M., Taylor, Laurence J., Teale, Andrew M., Wood, Katherine E., Williams, Huw E. L., Lewis, William, Argent, Stephen P., McMaster, Jonathan and Kays, Deborah L.

2021. Structural and electronic studies of substituted m-terphenyl lithium complexes. Dalton Transactions 50 (2) , pp. 722-728. 10.1039/D0DT03972A

Viéitez Calo, Sara, Morgan, David J.

, Golunski, Stan

and Twigg, Martyn V. 2021. Structure sensitivity and hydration effects in Pt/TiO2 and Pt/TiO2-SiO2 catalysts for NO and propane oxidation. Topics in Catalysis 64 , pp. 955-964. 10.1007/s11244-021-01415-2

Villa, Alberto, Barlocco, Ilaria, Capelli, Sofia, Lu, Xiuyuan, Bellomi, Silvio, Huang, Xiaohui, Wang, Di, Prati, Laura, Dimitratos, Nikolaos and Roldan, Alberto

2021. Disclosing the role of gold on palladium - gold alloyed supported catalysts in formic acid decomposition. ChemCatChem 13 (9) , pp. 4210-4222. 10.1002/cctc.202100886

Wallace, William T., Hayward, James S., Ho, Chen-Yu, Marsh, Amy R., Tariq, Anisa and Bartley, Jonathan K.

2021. Triethylamine-water as a switchable solvent for the synthesis of Cu/ZnO catalysts for carbon dioxide hydrogenation to methanol. Topics in Catalysis 64 , pp. 984-991. 10.1007/s11244-021-01457-6

Wang, Tao, Sha, Jin, Sabbe, Maarten, Sautet, Philippe, Pera-Titus, Marc and Michel, Carine 2021. Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls. Nature Communications 12 (1) , 5100. 10.1038/s41467-021-25214-1

Wang, Yu, Knowles, P. J.

and Wang, Jian 2021. Information entropy as a measure of the correlation energy associated with the cumulant. Physical Review A 103 (6) , 062808. 10.1103/PhysRevA.103.062808

Wang, Yu, Wang, Feng, Sheng, Xiaowei, Yu, Yafei, Knowles, P. J.

and Wang, Jian 2021. Collins conjecture and information entropy in dissociating diatomic molecules. Physical Review A 103 (4) , 042816. 10.1103/PhysRevA.103.042816

Wang, Yucheng, Lei, Hanhui, Xiang, Hang, Fu, Yongqing, Xu, Chenxi, Jiang, Yinzhu, Xu, Ben Bin, Yu, Eileen Hao, Gao, Chao and Liu, Terence Xiaoteng 2021. Porous bilayer electrode-guided gas diffusion for enhanced CO2 electrochemical reduction. Advanced Energy & Sustainability Research 2 (11) , 2100083. 10.1002/aesr.202100083

Wang, Zhe, Feng, Jiangjiang, Li, Xiaoliang, Oh, Rena, Shi, Dongdong, Akdim, Ouardia, Xia, Ming, Zhao, Liang, Huang, Xiaoyang and Zhang, Guojie 2021. Au-Pd nanoparticles immobilized on TiO2 nanosheet as an active and durable catalyst for solvent-free selective oxidation of benzyl alcohol. Journal of Colloid and Interface Science 588 , pp. 787-794. 10.1016/j.jcis.2020.11.112

Watson, Nathan 2021. An analysis of the sources and sinks for Criegee intermediates: An extended computational study. PhD Thesis, Cardiff University.

Item availability restricted.

Wilbers, Derik, Brehm, Joseph, Lewis, Richard, Van Marwijk, Jacqueline, Davies, Thomas, Morgan, David John

, Opperman, Diederik J., Smit, Martha Sophia, Alcalde, Miguel, Kotsiopoulos, Athanasios, Harrison, Susan T. L., Hutchings, Graham

and Freakley, Simon 2021. Controlling product selectivity with nanoparticle composition in tandem chemo-biocatalytic styrene oxidation. Green Chemistry 23 (11) , pp. 4170-4180. 10.1039/D0GC04320F

Williams, Megan, Edwards, Sion, Fallis, Ian

, Wilson, Melanie

, Bradshaw, David, Pratten, J and Williams, David W. 2021. Preliminary study into the effects of tobacco smoke on Candida albicans. Presented at: Candida and Candidiasis 2021, Virtual, 21-27 March 2021. Access Microbiology. Access Microbiology. , vol.3 (12) (3 (12)) 10.1099/acmi.cc2021.po0124

Williams, Thomas L. 2021. The use of covalent modification and genetic code expansion to create organocatalytic artificial enzymes. PhD Thesis, Cardiff University.
Item availability restricted.

Williams, Thomas L., Iskandar, Debra J., Nödling, Alexander R., Tan, Yurong, Luk, Louis Y. P.

and Tsai, Yu-Hsuan

2021. Transferability of N-terminal mutations of pyrrolysyl-tRNA synthetase in one species to that in another species on unnatural amino acid incorporation efficiency. Amino Acids 53 , pp. 89-96. 10.1007/s00726-020-02927-z

Winterson, Bethan, Rennigholtz, Tim and Wirth, Thomas

2021. Flow electrochemistry: a safe tool for fluorine chemistry. Chemical Science 12 (26) , pp. 9053-9059. 10.1039/D1SC02123K

Wirth, Thomas

2021. Iodine(III) mediators in electrochemical batch and flow reactions. Current Opinion in Electrochemistry 28 , 100701. 10.1016/j.coelec.2021.100701

Wirth, Thomas

and Zhang, Huaiyuan 2021. Recent advances in asymmetric functionalization of olefins induced by chiral hypervalent iodine reagents. Chinese Journal of Organic Chemistry 41 (1) , pp. 65-70. 10.6023/cjoc202006013

Woof, Callum R., Durand, Derek J., Fey, Natalie, Richards, Emma

and Webster, Ruth L. 2021. Iron catalyzed double bond isomerization: evidence for an Fe I /Fe III catalytic cycle. Chemistry - A European Journal 27 (19) , pp. 5972-5977. 10.1002/chem.202004980

Wossidlo, Friedrich, Frost, Daniel S., Lin, Jinxiong, Coles, Nathan T.

, Klimov, Katrin, Weber, Manuela, Böttcher, Tobias and Müller, Christian 2021. Making aromatic phosphorus heterocycles more basic and nucleophilic: synthesis, characterization and reactivity of the first phosphinine selenide. Chemistry - A European Journal 27 (50) , pp. 12788-12795. 10.1002/chem.202102390

Wright, Anna I., Kariuki, Benson M.

and Wu, Yi-Lin

2021. Triplet-forming thionated donor-acceptor chromophores for electrochemically amphoteric photosensitization. European Journal of Organic Chemistry 2021 (33) , pp. 4647-4652. 10.1002/ejoc.202100793

Wu, Qiqi, Ye, Jiani, Qiao, Wei, Li, Yongwang, Niemantsverdriet, J.W. (Hans), Richards, Emma

, Pan, Feng and Su, Ren 2021. Inhibit the formation of toxic methylphenolic by-products in photo-decomposition of formaldehyde-toluene/xylene mixtures by Pd cocatalyst on TiO2. Applied Catalysis B: Environmental 291 , 120118. 10.1016/j.apcatb.2021.120118

Xu, Shaojun, Han, Xue, Ma, Yujie, Duong, Thien D., Lin, Longfei, Gibson, Emma K., Sheveleva, Alena, Chansai, Sarayute, Walton, Alex, Ngo, Duc-The, Frogley, Mark D., Tang, Chiu C., Tuna, Floriana, McInnes, Eric J.L., Catlow, C. Richard A., Hardacre, Christopher, Yang, Sihai and Schröder, Martin 2021. Catalytic decomposition of NO2 over a copper-decorated metal-organic framework by non-thermal plasma. Cell Reports Physical Science 2 (2) , 100349. 10.1016/j.xcrp.2021.100349

Yamamoto Raynbird, Marina, Khokhar, Shaista, Neef, Daniel, Evans, Gareth and Wirth, Thomas

2021. Synthesis of ajoene analogues by novel synthetic strategies. Chemistry - A European Journal 27 (9) , pp. 3008-3012. 10.1002/chem.202005023

Yang, Nating, Pattisson, Samuel, Douthwaite, Mark, Zeng, Gaofeng, Zhang, Hao, Ma, Jingyuan and Hutchings, Graham J.

2021. Influence of stabilizers on the performance of Au/TiO2 catalysts for CO oxidation. ACS Catalysis 11 (18) , pp. 11607-11615. 10.1021/acscatal.1c02820

Yang, Pengfei, Douthwaite, Mark, Pan, Jiahao, Zheng, Lirong, Hong, Song, Morgan, David John

, Gao, Mingyu, Li, Dianqing, Feng, Junting and Hutchings, Graham

2021. Coordinately unsaturated O2c–Ti5c–O2c sites promote the reactivity of Pt/TiO2 catalysts in the solvent-free oxidation of octanol. Catalysis Science & Technology 11 (14) , pp. 4898-4910. 10.1039/D1CY00686J

Yang, Shufan 2021. Tailoring properties of polythiophene-based electrochromic displays. MPhil Thesis, Cardiff University.
Item availability restricted.

Yaseen, Anaheed A., Al-Tikrity, Emaad T. B., Yousif, Emad, Ahmed, Dina S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2021. Effect of ultraviolet irradiation on polystyrene containing cephalexin Schiff bases. Polymers 13 (17) , 2982. 10.3390/polym13172982

Yaseen, Anaheed A., Yousif, Emad, Al-Tikrity, Emaad T. B., El-Hiti, Gamal A., Kariuki, Benson M.

, Ahmed, Dina S. and Bufaroosha, Muna 2021. FTIR, weight, and surface morphology of poly(vinyl chloride) doped with tin complexes containing aromatic and heterocyclic moieties. Polymers 13 (19) , 3264. 10.3390/polym13193264

Ye, Tongqi, Ai, Yue, Chen, Bao, Ye, Yuewen, Sun, Jia, Qin, Ling and Yao, Xin 2021. Enhancement of aldehyde-water shift reaction over CuZnAl catalyst by Mn promoter. Catalysis Communications 149 , 106262. 10.1016/j.catcom.2020.106262

Ye, Yuewen, Chen, Bao, Li, Xin, Ai, Yue, Sun, Jia, Ni, Gang, Qin, Ling and Ye, Tongqi 2021. Oxidation of bio‐aldehyde and bio‐alcohol to carboxylic acid by water over modified CuZnAl catalysts. ChemistrySelect 6 (9) , pp. 1976-1983. 10.1002/slct.202100216

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A.

2021. A comparative analysis of the mechanisms of ammonia synthesis on various catalysts using density functional theory. Royal Society Open Science 8 (11) , 210952. 10.1098/rsos.210952

Zhang, Zhenfei, Liu, Yong, Portaluri, Vincent, Woodcock, Christine, Pickett, John A.

, Wang, Senshan and Zhou, Jing-Jiang 2021. Chemical identity and functional characterization of semiochemicals that promote the interactions between rice plant and rice major pest Nilaparvata lugens. Journal of Agricultural and Food Chemistry 69 (16) , 4635–4644. 10.1021/acs.jafc.1c01135

Zhang, Fei 2021. Syntheses of polyethers and biodegradable polyesters utilizing aluminium-based catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Zhang, Man, Wang, Yaqiong, Liu, Jianguo, Thangamuthu, Madasamy, Yue, Yajun, Yan, Zhongna, Feng, Jingyu, Zhang, Dou, Zhang, Hongtao, Guan, Shaoliang, Titirici, Maria-Magdalena, Abrahams, Isaac, Tang, Junwang, Zhang, Zhen, Dunn, Steve and Yan, Haixue 2021. Facile one-step synthesis and enhanced photocatalytic activity of a WC/ferroelectric nanocomposite. Journal of Materials Chemistry A: materials for energy and sustainability 9 (40) , pp. 22861-22870. 10.1039/D1TA04131B

Zhang, Qing, Liu, Weiyan, Zhou, Yi, Li, Junyan, Sun, Tu, Liu, Qingyuan, Ma, Yanhang, Wang, Jinghui, Li, Jun, Zhao, Ruoshi, Sui, Yu, Matsumoto, Takashi, Muroyama, Norihiro, Yamano, Akihito, Harris, Kenneth D. M.

, Shen, Zhijian James and Terasaki, Osamu 2021. Andersson‐Magnéli phases TinO2n‐1: recent progress inspired by Swedish scientists. Zeitschrift für anorganische und allgemeine Chemie 647 (2-3) , pp. 126-133. 10.1002/zaac.202000408

Zhang, Rui, Chutia, Arunabhiram, Sokol, Alexey A., Chadwick, David and Catlow, C. Richard A.

2021. A computational investigation of the adsorption of small copper clusters on the CeO2(110) surface. Physical Chemistry Chemical Physics 35 (23) , pp. 19329-19342. 10.1039/D1CP02973H

Zhou, Jiawang, Stojanovic, Ljiljana, Berezin, Andrey A., Battisti, Tommaso, Gill, Abigail, Kariuki, Benson

, Bonifazi, Davide

, Crespo-Otero, Rachel, Wasielewski, Michael R. and Wu, Yi-Lin

2021. Organic room-temperature phosphorescence from halogen-bonded organic frameworks: hidden electronic effects in rigidified chromophores. Chemical Science 12 (2) , pp. 767-773. 10.1039/D0SC04646A

Zhou, Laicheng, He, Ran, Qin, Yang, Wu, Yi-Lin

, Jiang, Li, Zhou, Dong-Dong and Zhang, Ling 2021. Multiple C-H⋯anion and N-H⋯anion hydrogen bond directed two-dimensional crystalline nanosheets with precise distance control of surface charges for enhanced DNA capture. Soft Matter 17 (40) , pp. 9125-9130. 10.1039/D1SM01152A

Živković, Aleksandar

, Sheehama, Jacobina, Warwick, Michael E. A., Jones, Daniel R., Mitchel, Claire, Likius, Daniel, Uahengo, Veikko, Dzade, Nelson Y.

, Dunnill, Charles W. and de Leeuw, Nora H.

2021. Structural and electronic properties of Cu4O3 (paramelaconite): the role of native impurities. Pure and Applied Chemistry 93 (10) , pp. 1229-1244. 10.1515/pac-2021-0114

2020

Abbas, Qayes A., Rodrigues, Michelle, Baco, Saturi, Guan, Shaoliang and Morley, Nicola A 2020. Influence of annealing temperature on the structural and magnetic properties of FeGaSiB thin films. Thin Solid Films 701 , 137955. 10.1016/j.tsf.2020.137955

Abdpour, Soheil, Kowsari, Elaheh, Bazri, Behrouz, Moghaddam, Mohammad Reza Alavi, Tafreshi, Saeedeh Sarabadani, de Leeuw, Nora H.

, Simon, Ilka, Schmolke, Laura, Dietrich, Dennis, Ramakrishna, Seeram and Janiak, Christoph 2020. Amino-functionalized MIL-101(Cr) photodegradation enhancement by sulfur-enriched copper sulfide nanoparticles: an experimental and DFT study. Journal of Molecular Liquids 319 , 114341. 10.1016/j.molliq.2020.114341

Abdulridha, Samer, Jiang, Jiuxing, Xu, Shaojun, Zhou, Zhaoxia, Liang, He, Mao, Boyang, Zhou, Yangtao, Garforth, Arthur A., Jiao, Yilai and Fan, Xiaolei 2020. Cellulose nanocrystals (CNCs) as hard templates for preparing mesoporous zeolite Y assemblies with high catalytic activity. Green Chemistry 22 (15) , pp. 5115-5122. 10.1039/D0GC01070G

Abdulridha, Samer, Jiao, Yilai, Xu, Shaojun, Zhang, Rongxin, Garforth, Arthur A. and Fan, Xiaolei 2020. Mesoporous zeolitic materials (MZMs) derived from zeolite Y using a microwave method for catalysis. Frontiers in Chemistry 8 , 482. 10.3389/fchem.2020.00482

Abedin, Md Ashraful, Kanitkar, Swarom, Kumar, Nitin, Wang, Zi, Ding, Kunlun, Hutchings, Graham

and Spivey, James J. 2020. Probing the surface acidity of supported aluminum bromide catalysts. Catalysts 10 (8) , 869. 10.3390/catal10080869

Abis, Laura, Dimitritatos, Nikolaos, Meenakshisundaram, Sankar

, Freakley, Simon J. and Hutchings, Graham J.

2020. The effect of polymer addition on base catalysed glycerol oxidation using gold and gold-palladium bimetallic catalysts. Topics in Catalysis 63 , pp. 394-402. 10.1007/s11244-019-01212-y

Abis, Laura, Dimitratos, Nikolaos

, Sankar, Meenakshisundaram

, Freakley, Simon J. and Hutchings, Graham J.

2020. Plasmonic oxidation of glycerol using Au/TiO2 catalysts prepared by sol-immobilisation. Catalysis Letters 150 (1) , pp. 49-55. 10.1007/s10562-019-02952-y

Adesina, Aduragbemi S., Swiderek, Katarzyna, Luk, Louis Y. P.

, Moliner, Vicent and Allemann, Rudolf K.

2020. Electric field measurements reveal the pivotal role of Cofactor-Substrate interaction in dihydrofolate reductase catalysis. ACS Catalysis 10 (14) , pp. 7907-7914. 10.1021/acscatal.0c01856

Agrawal, Kushagra, Chakraborty, Pritam and Kishore, Nanda 2020. Thermochemical mapping of levulinic acid conversion to pentane in supercritical water within the framework of density functional theory. Energy and Fuels 34 (9) , pp. 11061-11072. 10.1021/acs.energyfuels.0c01906

Agrawal, Kushagra and Kishore, Nanda 2020. DFT study on dibenzofuran conversion to cyclohexane and benzene in gas, water and methanol solvents. Journal of Molecular Graphics and Modelling 99 , 107629. 10.1016/j.jmgm.2020.107629

Agrawal, Kushagra and Kishore, Nanda 2020. Study of conversion of bio-oil model compounds in supercritical water using density functional theory. Scientific Reports 10 (1) , 9247. 10.1038/s41598-020-66237-w

Ahmed, Gaffer, Acharya, Sneha, Agrawal, Kushagra and Kishore, Nanda 2020. Green organic synthesis in supercritical water. Inamuddin, Rajender Boddula and Asiri, Abdulah M., eds. Green Sustainable Process for Chemical and Environmental Engineering and Science: Sustainable Organic Synthesis, Elsevier, pp. 263-285. (10.1016/B978-0-12-819539-0.00011-7)

Aïssaoui, Lamia, Knowles, Peter J.

and Bouledroua, Moncef 2020. The role of spin-orbit effects in the mobility of N+ ions moving in a helium gas at low temperature. European Physical Journal D 74 , 155. 10.1140/epjd/e2020-10138-0

Akimenko, Sergey S., Anisimova, Galina D., Fadeeva, Anastasiya I., Fefelov, Vasiliy F., Gorbunov, Vitaliy A., Kayumova, Tatyana R., Myshlyavtsev, Alexander V., Myshlyavtseva, Marta D. and Stishenko, Pavel V. 2020. SuSMoST: Surface Science Modeling and Simulation Toolkit. Journal of Computational Chemistry 41 (23) , pp. 2084-2097. 10.1002/jcc.26370

Akram, Adeeba, Shaw, Greg, Lewis, Richard J., Piccinini, Marco

, Davies, Thomas E., Freakley, Simon J., Edwards, Jennifer K.

, Moulijn, Jacob A. and Hutchings, Graham J.

2020. The direct synthesis of hydrogen peroxide using a combination of a hydrophobic solvent and water. Catalysis Science and Technology 10 (24) , pp. 8203-8212. 10.1039/D0CY01163K

Al-Hetlani, Entesar, Amin, Mohamed O., Bezzu, C. Grazia and Carta, Mariolino

2020. Spirobifluorene-based polymers of intrinsic microporosity for the adsorption of methylene blue from wastewater: effect of surfactants. Royal Society Open Science 7 (9) , 200741. 10.1098/rsos.200741

Al-Wattar, Eman 2020. kinetic and mechanistic studies of fading of fluorescent dyes and application in vital fields. PhD Thesis, Cardiff University.
Item availability restricted.

Alam, Syed Fakhar, Kim, Min-Zy, Kim, Young Jin, Rehman, Aafaq ur, Devipriyanka, Arepalli, Sharma, Pankaj

, Yeo, Jeong-Gu, Lee, Jin-Seok, Kim, Hyunuk and Cho, Churl-Hee 2020. A new seeding method, dry rolling applied to synthesize SAPO-34 zeolite membrane for nitrogen/methane separation. Journal of Membrane Science 602 , 117825. 10.1016/j.memsci.2020.117825

Aldridge, James K., Smith, Louise R., Morgan, David J.

, Carley, Albert F., Humphreys, Mandy, Clarke, Michael J., Wormald, Patricia, Taylor, Stuart H.

2020. Ambient temperature CO oxidation using palladium-platinum bimetallic catalysts supported on tin oxide/alumina. Catalysts 10 (11) , 1223. 10.3390/catal10111223

Allender, Christopher J., Bowen, Jenna L.

, Celorrio, Veronica, Davies-Jones, Josh A., Davies, Philip R.

, Guan, Shaoliang, O'Reilly, Padraic and Meenakshisundaram, Sankar

2020. The role of growth directors in controlling the morphology of hematite nanorods. Nanoscale Research Letters 15 , 161. 10.1186/s11671-020-03387-w

Alotaibi, Abdullah A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2020. The crystal structure of 2-(3-(4-bromophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-8H-indeno[1,2-d]thiazole, C25H17BrFN3S. Zeitschrift für Kristallographie - New Crystal Structures 235 (4) , pp. 897-899. 10.1515/ncrs-2020-0088

Alotaibi, Abdullah A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2020. The crystal structure of 5-(2-(4-fluorophenyl)hydrazono)-4-methyl-2-((3-(5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene) hydrazono)-2,5-dihydrothiazole dimethylformamide monosolvate, C30H25FN10S?C3H7NO. Zeitschrift für Kristallographie - New Crystal Structures 235 (4) , pp. 915-917. 10.1515/ncrs-2020-0101

Alotibi, Mohammed F., Abdel-Wahab, Bakr F., Yousif, Emad, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2020. Crystal structure of 3-(2-(5-(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl)thiazol-4-yl)-2H-chromen-2-one, C28H20FN3O2S. Zeitschrift für Kristallographie - New Crystal Structures 235 (2) , pp. 469-471. 10.1515/ncrs-2019-0776

Alotibi, Mohammed F., Abdel-Wahab, Bakr F., Yousif, Emad, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2020. Crystal structure of (E)-3-(3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)-1-phenylprop-2-en-1-one, C27H21N5O. Zeitschrift für Kristallographie - New Crystal Structures 235 (2) , pp. 479-481. 10.1515/ncrs-2019-0779

Alshammari, Nadiyah and Platts, James A.

2020. Theoretical study of copper binding to GHK peptide. Computational Biology and Chemistry 86 , 107265. 10.1016/j.compbiolchem.2020.107265

Alvarez-Ruiz, D.T., Azough, F., Slater, Thomas

, Day, Sarah J. and Freer, R. 2020. The effect of nano-twins on the thermoelectric properties of Ga2O3(ZnO)m (m = 9, 11, 13 and 15) homologous compounds. Journal of the European Ceramic Society 40 (15) , pp. 5549-5558. 10.1016/j.jeurceramsoc.2020.07.021

Amakali, Theopolina, Daniel, Likius. S., Uahengo, Veikko, Dzade, Nelson Y.

2020. Structural and optical properties of ZnO thin films prepared by molecular precursor and sol-gel methods. Crystals 10 (2) , -. 10.3390/cryst10020132

Amri, Nasser and Wirth, Thomas

2020. Automated electrochemical selenenylations. Synthesis 52 (12) , pp. 1751-1761. 10.1055/s-0039-1690868

Ansari, Mohammad Hasan Dad, Lavhale, Santosh, Kalunke, Raviraj M., Srivastava, Prabhakar L.

, Pandit, Vaibhav, Gade, Subodh, Yadav, Sanjay, Laux, Peter, Luch, Andreas, Gemmati, Donato, Zamboni, Paolo and Singh, Ajay Vikram 2020. Recent advances in plant nanobionics and nanobiosensors for toxicology applications. Current Nanoscience 16 (1) , pp. 27-41. 10.2174/1573413715666190409101305

Aparicio, Pablo A.

2020. Electronic structure, ion diffusion and cation doping in the Na4VO(PO4)2 compound as a cathode material for Na-ion batteries. Physical Chemistry Chemical Physics 22 (12) , pp. 6653-6659. 10.1039/C9CP05559B

Aprà, E., Bylaska, E. J., de Jong, W. A., Govind, N., Kowalski, K., Straatsma, T. P., Valiev, M., van Dam, H. J. J., Alexeev, Y., Anchell, J., Anisimov, V., Aquino, F. W., Atta-Fynn, R., Autschbach, J., Bauman, N. P., Becca, J. C., Bernholdt, D. E., Bhaskaran-Nair, K., Bogatko, S., Borowski, P., Boschen, J., Brabec, J., Bruner, A., Cauët, E., Chen, Y., Chuev, G. N., Cramer, C. J., Daily, J., Deegan, M. J. O., Dunning, T. H., Dupuis, M., Dyall, K. G., Fann, G. I., Fischer, S. A., Fonari, A., Früchtl, H., Gagliardi, L., Garza, J., Gawande, N., Ghosh, S., Glaesemann, K., Götz, A. W., Hammond, J., Helms, V., Hermes, E. D., Hirao, K., Hirata, S., Jacquelin, M., Jensen, L., Johnson, B. G., Jónsson, H., Kendall, R. A., Klemm, M., Kobayashi, R., Konkov, V., Krishnamoorthy, S., Krishnan, M., Lin, Z., Lins, R. D., Littlefield, R. J., Logsdail, A. J.

, Lopata, K., Ma, W., Marenich, A. V., Martin del Campo, J., Mejia-Rodriguez, D., Moore, J. E., Mullin, J. M., Nakajima, T., Nascimento, D. R., Nichols, J. A., Nichols, P. J., Nieplocha, J., Otero-de-la-Roza, A., Palmer, B., Panyala, A., Pirojsirikul, T., Peng, B., Peverati, R., Pittner, J., Pollack, L., Richard, R. M., Sadayappan, P., Schatz, G. C., Shelton, W. A., Silverstein, D. W., Smith, D. M. A., Soares, T. A., Song, D., Swart, M., Taylor, H. L., Thomas, G. S., Tipparaju, V., Truhlar, D. G., Tsemekhman, K., Van Voorhis, T., Vázquez-Mayagoitia, Á., Verma, P., Villa, O., Vishnu, A., Vogiatzis, K. D., Wang, D., Weare, J. H., Williamson, M. J., Windus, T. L., Wolinski, K., Wong, A. T., Wu, Q., Yang, C., Yu, Q., Zacharias, M., Zhang, Z., Zhao, Y. and Harrison, R. J. 2020. NWChem: Past, present, and future. Journal of Chemical Physics 152 (18) , 184102. 10.1063/5.0004997

Argent, Stephen P., Jackson, Fiona C., Chan, Ho Man, Meyrick, Sam, Taylor, Christopher G. P., Ronson, Tanya K., Rourke, Jonathan P.

and Ward, Michael D. 2020. A family of diastereomeric dodecanuclear coordination cages based on inversion of chirality of individual triangular cyclic helicate faces. Chemical Science 11 (37) , pp. 10167-10174. 10.1039/D0SC04347H

Asghar, Aisha, Iqbal, Naseem, Aftab, Leena, Noor, Tayyaba, Kariuki, Benson M.

, Kidwell, Luke and Easun, Timothy L.

2020. Ethylenediamine loading into a manganese-based metal-organic framework enhances water stability and carbon dioxide uptake of the framework. Royal Society Open Science 7 (3) , 191934. 10.1098/rsos.191934

Baer, Donald R., Artyushkova, Kateryna, Cohen, Hagai, Easton, Christopher D., Engelhard, Mark, Gengenbach, Thomas R., Greczynski, Grzegorz, Mack, Paul, Morgan, David J.

and Roberts, Adam 2020. XPS guide: Charge neutralization and binding energy referencing for insulating samples. Journal of Vacuum Science and Technology A 38 (3) , 031204. 10.1116/6.0000057

Baragau, Ioan-Alexandru, Power, Nicholas P., Morgan, David J.

, Heil, Tobias, Lobo, Richard Alvarez, Roberts, Christopher Simon, Titirici, Maria-Madgalena, Dunn, Steven and Kellici, Suela 2020. Continuous hydrothermal flow synthesis of blue-luminescent, excitation-independent nitrogen-doped carbon quantum dots as nanosensors. Journal of Materials Chemistry A 8 (6) , pp. 3270-3279. 10.1039/C9TA11781D

Barlocco, Ilaria, Capelli, Sofia, Lu, Xiuyuan, Tumiati, Simone, Dimitratos, Nikolaos, Roldan, Alberto and Villa, Alberto 2020. Role of defects in carbon materials during metal-free formic acid dehydrogenation. Nanoscale 12 (44) , pp. 22768-22777. 10.1039/D0NR05774F

Barlow, Victoria L., Lai, Shu-Jung, Chen, Chia-Yu, Tsai, Cheng-Han

, Wu, Shih-Hsiung and Tsai, Yu-Hsuan

2020. Effect of membrane fusion protein AdeT1 on the antimicrobial resistance of Escherichia coli. Scientific Reports 10 (1) , 20464. 10.1038/s41598-020-77339-w

Barma, Sunil V., Rondiya, Sachin R., Jadhav, Yogesh A., Jathar, Sagar B., Rahane, Ganesh K., Rokade, Avinash, Cross, Russell W., Nasane, Mamta P., Jadkar, Vijaya, Dzade, Nelson Y.

and Jadkar, Sandesh R. 2020. Structural, optoelectronic, and photoelectrochemical investigation of CdSe NC's prepared by hot injection method. ES Materials & Manufacturing 11 , pp. 50-56. 10.30919/esmm5f1040

Basak, Shyam, Alvarez-Montoya, Ana, Winfrey, Laura, Melen, Rebecca L.

, Morrill, Louis C.

and Pulis, Alexander P. 2020. B(C6F5)3-catalyzed direct C3 alkylation of indoles and oxindoles. ACS Catalysis 10 (8) , pp. 4835-4840. 10.1021/acscatal.0c01141

Baviskar, Prashant K., Rondiya, Sachin R., Patil, Girish P., Sankapal, Babasaheb R., Pathan, Habib M., Chavan, Padmakar G. and Dzade, Nelson Y.

2020. ZnO/CuSCN nano-heterostructure as a highly efficient field emitter: a combined experimental and theoretical investigation. ACS Omega 5 (12) , pp. 6715-6724. 10.1021/acsomega.0c00006

Bemmer, Victoria, Bowker, Michael

, Carter, James H., Davies, Philip R.

, Edwards, Lee E.

, Hughes, Colan E., Robinson, Fiona, Morgan, David J.

and Thomas, Matthew G. 2020. Rationalization of the X-ray photoelectron spectroscopy of aluminium phosphates synthesized from different precursors. RSC Advances 10 (14) , p. 84448452. 10.1039/C9RA08738A

Bhorde, Ajinkya, Nair, Shruthi, Borate, Haribhau, Pandharkar, Subhash, Aher, Rahul, Punde, Ashvini, Waghmare, Ashish, Shinde, Pratibha, Vairale, Priti, Waykar, Ravindra, Doiphode, Vidya, Jadkar, Vijaya, Hase, Yogesh, Rondiya, Sachin, Patil, Nilesh, Prasad, Mohit and Jadkar, Sandesh 2020. Highly stable and Pb-free bismuth-based perovskites for photodetector applications. New Journal of Chemistry 44 (26) , pp. 11282-11290. 10.1039/D0NJ01806F

Bianchi, Flavia, Spitaler, Urban, Castellan, Irene, Cossu, Carlo S., Brigadoi, Timothy, Duménil, Claire, Angeli, Sergio, Robatscher, Peter, Vogel, Rudi F., Schmidt, Silvia and Eisenstecken, Daniela 2020. Persistence of a yeast-based (Hanseniaspora uvarum) attract-and-kill formulation against Drosophila suzukii on grape leaves. Insects 11 (11) , 810. 10.3390/insects11110810

Biot, Nicolas and Bonifazi, Davide

2020. Concurring Chalcogen- and halogen-bonding interactions in supramolecular polymers for crystal engineering applications. Chemistry - A European Journal 26 (13) , pp. 2904-2913. 10.1002/chem.201904762

Biot, Nicolas and Bonifazi, Davide

2020. Chalcogen-bond driven molecular recognition at work. Coordination Chemistry Reviews 413 , 213243. 10.1016/j.ccr.2020.213243

Biot, Nicolas, Romito, Deborah and Bonifazi, Davide

2020. Substituent-controlled tailoring of chalcogen-bonded supramolecular nanoribbons in the solid state. Crystal Growth and Design 21 (1) , pp. 536-543. 10.1021/acs.cgd.0c01318

Bischof, Tobias, Evans, Kieren J.

, Haddow, Mairi F. and Mansell, Stephen M. 2020. An indenide-tethered N-heterocyclic stannylene. Acta Crystallographica Section E 76 (2) , pp. 254-256. 10.1107/S205698902000047X

Blackmore, Rachel H., Rivas, Maria Elena, Tierney, George F., Mohammed, Khaled M. H., Decarolis, Donato, Hayama, Shusaku, Venturini, Federica, Held, Georg, Arrigo, Rosa, Amboage, Monica, Hellier, Pip, Lynch, Evan, Amri, Mahrez, Casavola, Marianna, Eralp Erden, Tugce, Collier, Paul and Wells, Peter P. 2020. The electronic structure, surface properties, and in situ N2O decomposition of mechanochemically synthesised LaMnO3. Physical Chemistry Chemical Physics 22 (34) , pp. 18774-18787. 10.1039/D0CP00793E

Blundell, Toby J., Taylor, Laurence J., Valentine, Andrew J., Lewis, William, Blake, Alexander J., McMaster, Jonathan and Kays, Deborah L.

2020. A transition metal-gallium cluster formed: via insertion of "gaI". Chemical Communications 56 (58) , pp. 8139-8142. 10.1039/D0CC03559A

Bonsignore, Riccardo

, Thomas, Sophie, Klooster, Wim, Coles, Simon, Bourissou, Didier, Jenkins, Robert, Barone, Giampaolo and Casini, Angela

2020. Carbon-Phosphorus coupling from C^N cyclometalated Au(III) complexes. Chemistry - A European Journal 26 (19) , pp. 4226-4231. 10.1002/chem.201905392

Botchway, Cecil H., Tia, Richard, Adei, Evans, O'Malley, Alexander J., Dzade, Nelson Y.

, Hernandez-Tamargo, Carlos and de Leeuw, Nora H.

2020. Influence of topology and brønsted acid site presence on methanol diffusion in zeolites beta and MFI. Catalysts 10 (11) , 1342. 10.3390/catal10111342

Botti, Luca 2020. Metal-incorporated beta zeolites: A versatile class of catalysts for continuous glucose upgrading. PhD Thesis, Cardiff University.

Item availability restricted.

Botti, Luca, Kondrat, Simon A., Navar, Ricardo, Padovan, Daniele, Martinez-Espin, Juan S., Meier, Sebastian and Hammond, Ceri 2020. Solvent‐activated hafnium‐containing zeolites enable selective and continuous glucose–fructose isomerisation. Angewandte Chemie International Edition 59 (45) , pp. 20017-20023. 10.1002/anie.202006718

Bouleghlimat, Emir, Bethell, Donald and Davies, Philip R.

2020. The photocatalytic destruction of cinnamic acid and cinnamyl alcohol: mechanism and the effect of aqueous ions. Chemosphere 251 , 126469. 10.1016/j.chemosphere.2020.126469

Bowker, M.

and Jones, W. 2020. Methanol photo-reforming with water on pure titania for hydrogen production. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200058. 10.1098/rsta.2020.0058

Bowker, Michael

, Hellier, Pip, Decarolis, Donato, Gianolio, Diego, Mohammed, Khaled M. H., Stenner, Alex, Huthwelker, Thomas and Wells, Peter P. 2020. Al-doped Fe2O3 as a support for molybdenum oxide methanol oxidation catalysts. Physical Chemistry Chemical Physics 22 , pp. 18911-18918. 10.1039/D0CP01192D

Bowker, Michael

, Klink, Björn Udo, Lass, Kristian and Bennett, Roger A. 2020. A simple angle-resolved thermal molecular beam reactor: applied to CO oxidation on Pt{110}. Catalysts 10 (11) , 1229. 10.3390/catal10111229

Bowker, Michael

, Ruiz Esquius, Jonathan, Bahruji, Hasliza, Taylor, Stuart H.

2020. CO2 hydrogenation to CH3OH over PdZn catalysts, with reduced CH4 production. ChemCatChem 12 (23) , pp. 6024-6032. 10.1002/cctc.202000974

Bracci, Maruan, Bruzzese, Paolo Cleto, Famulari, Antonino, Fioco, David

, Guidetti, Andrea, Liao, Yu-Kai, Podvorica, Leonora, Rezayi, Seyedeh Fardokht, Serra, IIenia, Thangavel, Kavipriya and Murphy, Damien M.

2020. Paramagnetic species in catalysis research: a unified approach towards (the role of EPR in) heterogeneous, homogeneous and enzyme catalysis. Chechik, Victor, Murphy, Damien M. and Bode, Bela E., eds. Electron Paramagnetic Resonance, Vol. 27. Royal Society of Chemistry, pp. 1-46. (10.1039/9781839162534-00001)

Bramley, Gabriel, Nguyen, Manh-Thuong, Glezakou, Vassiliki-Alexandra, Rousseau, Roger and Skylaris, Chris-Kriton 2020. Reconciling Work Functions and Adsorption Enthalpies for Implicit Solvent Models: A Pt (111)/Water Interface Case Study. Journal of Chemical Theory and Computation 16 (4) , pp. 2703-2715. 10.1021/acs.jctc.0c00034

Brekalo, Ivana, Yuan, Wenbing, Mottillo, Cristina, Lu, Yuneng, Zhang, Yuancheng, Casaban, Jose, Holman, K. Travis, James, Stuart L., Duarte, Frédéric, Williams, P. Andrew, Harris, Kenneth D. M.

and Friscic, Tomislav 2020. Manometric real-time studies of the mechanochemical synthesis of zeolitic imidazolate frameworks. Chemical Science 11 (8) 10.1039/C9SC05514B

Cai, Rongsheng, Malta, Grazia, Haigh, Sarah J., Hutchings, Graham J.

, Freakley, Simon J. and Palmer, Richard E. 2020. Gas-phase deposition of gold nanoclusters to produce heterogeneous glycerol oxidation catalysts. ACS Applied Nano Materials 3 (6) , pp. 4997-5001. 10.1021/acsanm.0c01140

Caiti, Massimiliano, Tarantino, Giulia and Hammond, Ceri

2020. Developing a continuous process for isosorbide production from renewable sources. ChemCatChem 12 (24) , pp. 6393-6400. 10.1002/cctc.202001278

Campisi, Sebastiano, Beevers, Cameron, Nasrallah, Ali, Catlow, C. Richard A.

, Chan-Thaw, Carine e., Manzoli, Maela, Dimitratos, Nikolaos, Willock, David J.

, Roldan, Alberto and Villa, Alberto 2020. DFT-assisted spectroscopic studies on the coordination of small ligands to palladium: from isolated ions to nanoparticles. Journal of Physical Chemistry C 124 (8) , pp. 4781-4790. 10.1021/acs.jpcc.9b09791

Cantos, Paula M., Pope, Simon J. A.

and Cahill, Christopher L. 2020. Correction: An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies. CrystEngComm 22 (29) , 4952. 10.1039/D0CE90092C

Carden, Jamie L., Dasgupta, Ayan and Melen, Rebecca L.

2020. Halogenated triarylboranes: synthesis, properties and applications in catalysis. Chemical Society Reviews 49 (6) , pp. 1706-1725. 10.1039/C9CS00769E

Casali, Emanuele, Kalra, Prakriti, Brochetta, Massimo, Borsari, Tania, Gandini, Andrea, Patra, Tuhin, Zanoni, Giuseppe and Maiti, Debabrata 2020. Overriding ortho selectivity by template assisted meta-C-H activation of benzophenones. Chemical Communications 56 (53) , pp. 7281-7284. 10.1039/D0CC03172K

Caswell, Thomas, Dlamini, Mbongiseni W., Miedziak, Peter J., Pattisson, Samuel, Davies, Philip R.

2020. Enhancement in the rate of nitrate degradation on Au- and Ag-decorated TiO2 photocatalysts. Catalysis Science and Technology 10 (7) , pp. 2083-2091. 10.1039/C9CY02473E

Catlow, C. Richard

, Davidson, Matthew, Hutchings, Graham J.

and Mulholland, Adrian 2020. Science to enable the circular economy. Philosophical Transactions of the Royal Society A: Mathematical Physical and Engineering Sciences 378 (2176) 10.1098/rsta.2020.0060

Catlow, C. Richard A.

2020. Computational modelling as a tool in structural science. IUCrJ 7 (5) , pp. 778-779. 10.1107/S2052252520011793

Catlow, C. Richard A.

, Wells, Peter and Gianolio, Diego 2020. Synchrotron radiation techniques in catalytic science. Physical Chemistry Chemical Physics 22 (34) , pp. 18745-18746. 10.1039/D0CP90186E

Cattaneo, Stefano, Bonincontro, Danilo, Bere, Takudzwa, Kiely, Christopher J.

, Dimitratos, Nikolaos and Albonetti, Stefania 2020. Continuous flow synthesis of bimetallic AuPd catalysts for the selective oxidation of 5-hydroxymethylfurfural to 2,5-furandicarboxylic acid. ChemNanoMat 6 (3) , pp. 420-426. 10.1002/cnma.201900704

Cerrato, Erik, Gonçalves, Nuno Paulo Ferreira, Calza, Paola and Paganini, Maria Cristina 2020. Comparison of the photocatalytic activity of ZnO/CeO2 and ZnO/Yb2O3 mixed systems in the phenol removal from water: a mechanicistic approach. Catalysts 10 (10) , 1222. 10.3390/catal10101222

Cerrato, Erik and Paganini, Maria Cristina 2020. Mechanism of visible photon absorption: unveiling of the C3N4–ZnO photoactive interface by means of EPR spectroscopy. Materials Advances 1 (7) , pp. 2357-2367. 10.1039/D0MA00451K

Cerrato, Erik, Paganini, Maria Cristina and Giamello, Elio 2020. Photoactivity under visible light of defective ZnO investigated by EPR spectroscopy and photoluminescence. Journal of Photochemistry and Photobiology A: Chemistry 397 , 112531. 10.1016/j.jphotochem.2020.112531

Cerrato, Erik, Zickler, Gregor A. and Paganini, Maria Cristina 2020. The role of Yb doped ZnO in the charge transfer process and stabilization. Journal of Alloys and Compounds 816 , 152555. 10.1016/j.jallcom.2019.152555

Chachvalvutikul, Auttaphon and Kaowphong, Sulawan 2020. Direct Z-scheme FeVO4/BiOCl heterojunction as a highly efficient visible-light-driven photocatalyst for photocatalytic dye degradation and Cr(VI) reduction. Nanotechnology 31 (14) , 145704. 10.1088/1361-6528/ab61d1

Chakraborty, Pritam, Agrawal, Kushagra and Kishore, Nanda 2020. Kinetic modeling of conversion of levulinic Acid to valeric acid in supercritical water using the density functional theory framework. Industrial & Engineering Chemistry Research 59 (41) 10.1021/acs.iecr.0c02807

Charles, Bethan, Weller, Mark T., Rieger, Sebastian, Hatcher, Lauren E.

, Henry, Paul F., Feldmann, Jochen, Wolverson, Daniel and Wilson, Chick C. 2020. Phase behavior and substitution limit of mixed cesium-formamidinium lead triiodide perovskites. Chemistry of Materials 32 (6) , pp. 2282-2291. 10.1021/acs.chemmater.9b04032

Chen, Huanhao, Mu, Yibing, Xu, Shanshan, Xu, Shaojun, Hardacre, Christopher and Fan, Xiaolei 2020. Recent advances in non-thermal plasma (NTP) catalysis towards C1 chemistry. Chinese Journal of Chemical Engineering 28 (8) , pp. 2010-2021. 10.1016/j.cjche.2020.05.027

Chen, W., Luo, X., Ling, S., Zhou, Y., Shen, B., Slater, T.J.A.

, Fernandes, J.A., Lin, T., Wang, J. and Shen, Y. 2020. Hemoglobin-derived Fe-Nx<-S species supported by bamboo-shaped carbon nanotubes as efficient electrocatalysts for the oxygen evolution reaction. Carbon 168 , pp. 588-596. 10.1016/j.carbon.2020.06.064

Chen, W., Luo, X., Slater, T.J.A.

, Zhou, Y., Ling, S., Bao, R., Fernandes, J.A., Wang, J. and Shen, Y. 2020. General synthesis of single atom electrocatalysts: via a facile condensation-carbonization process. Journal of Materials Chemistry A 8 (48) , pp. 25959-25969. 10.1039/d0ta08115a

Cheruiyot, Duncan, Midega, Charles A.O., Pittchar, Jimmy O., Pickett, John A.

and Khan, Zeyaur R. 2020. Farmers' perception and evaluation of brachiaria Grass (brachiaria spp.) genotypes for smallholder cereal-livestock production in East Africa. Agriculture 10 (7) , 268. 10.3390/agriculture10070268

Choudhuri, Khokan, Pramanik, Milan and Mal, Prasenjit 2020. Direct c-s bond functionalization of benzyl mercaptan. European Journal of Organic Chemistry 2020 (25) , pp. 3906-3913. 10.1002/ejoc.202000521

Choudhuri, Khokan, Pramanik, Milan and Mal, Prasenjit 2020. Noncovalent interactions in C–S bond formation reactions. The Journal of Organic Chemistry 85 (19) , pp. 11997-12011. 10.1021/acs.joc.0c01534

Chumha, Nawapong, Pudkon, Watcharapong, Chachvalvutikul, Auttaphon, Luangwanta, Tawanwit, Randorn, Chamnan, Inceesungvorn, Burapat, Ngamjarurojana, Athipong and Kaowphong, Sulawan 2020. Photocatalytic activity of CuInS2 nanoparticles synthesized via a simple and rapid microwave heating process. Materials Research Express 7 (1) , 015074. 10.1088/2053-1591/ab6885

Chutia, Arunabhiram, Thetford, Adam, Stamatakis, Michail and Catlow, C. Richard A.

2020. A DFT and KMC based study on the mechanism of the water gas shift reaction on the Pd(100) surface. Physical Chemistry Chemical Physics 22 (6) , pp. 3620-3632. 10.1039/C9CP05476F

Cooper, Anna, Davies, Thomas E., Morgan, David J.

, Golunski, Stan

2020. Influence of the preparation method of Ag-K/CeO2-ZrO2-Al2O3 catalysts on their structure and activity for the simultaneous removal of soot and NOx. Catalysts 10 (3) , -. 10.3390/catal10030294

Craco, L. and Leoni, S.

2020. Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3. Physical Review B 101 (24) , 245133. 10.1103/PhysRevB.101.245133

Craco, L. and Leoni, S.

2020. Mott and pseudogap localization in pressurized NbO2. Physical Review B 102 (4) , 045142. 10.1103/PhysRevB.102.045142

Craco, Luis and Leoni, Stefano

2020. All-t2g electronic orbital reconstruction of monoclinic MoO2 battery material. Applied Sciences 10 (17) , 5730. 10.3390/app10175730

Cresser-Brown, Joel, Rizkallah, Pierre

, Jin, Yi

, Roth, Christian, Miller, David J. and Allemann, Rudolf K.

2020. An unexpected co-crystal structure of the calpain PEF(S) domain with Hfq reveals a potential chaperone function of Hfq. Acta Crystallographica Section F: Structural Biology Communications 76 (2) , pp. 81-85. 10.1107/S2053230X20001181

Crole, David A., Underhill, Ricci, Edwards, Jennifer K.

, Shaw, Greg, Freakley, Simon J., Hutchings, Graham J.

and Lewis, Richard J. 2020. The direct synthesis of hydrogen peroxide from H2 and O2 using Pd-Ni/TiO2 catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200062. 10.1098/rsta.2020.0062

Crombie, Caitlin 2020. The selective oxidation of cyclohexane via the in-situ utilisation of H2O2. PhD Thesis, Cardiff University.
Item availability restricted.

Cross, Russell W. and Dzade, Nelson Y.

2020. First-principles mechanistic insights into the hydrogen evolution reaction on Ni2P electrocatalyst in alkaline medium. Catalysts 10 (3) , 307. 10.3390/catal10030307

Cuenca, Jerome A.

, Mandal, Soumen

, Snowball, Malcolm, Porch, Adrian

and Williams, Oliver A.

2020. Dielectric spectroscopy of hydrogen treated hexagonal boron nitride ceramics. ACS Applied Electronic Materials 2 (5) , pp. 1193-1202. 10.1021/acsaelm.9b00767

Dambatta, Mubarak B., Santos, Joseph, Bolt, Robert and Morrill, Louis C.

2020. Transition metal free α-C-alkylation of ketones using secondary alcohols. Tetrahedron 76 (45) , 131571. 10.1016/j.tet.2020.131571

Dasgupta, Ayan, Babaahmadi, Rasool, Slater, Ben, Yates, Brian F., Ariafard, Alireza and Melen, Rebecca L.

2020. Borane-ctalyzed stereoselective C–H insertion, cyclopropanation, and ring-opening reactions. Chem 6 (9) , pp. 2364-2381. 10.1016/j.chempr.2020.06.035

Dasgupta, Ayan, Stefkova, Katarína, Babaahmadi, Rasool, Gierlichs, Lukas, Ariafard, Alireza and Melen, Rebecca L.

2020. Triarylboran‐katalysierte Alkenylierungen von Arylestern mit Diazoverbindungen. Angewandte Chemie 132 (36) , pp. 15621-15626. 10.1002/ange.202007176

Dasgupta, Ayan, Stefkova, Katarína, Babaahmadi, Rasool, Gierlichs, Lukas, Ariafard, Alireza and Melen, Rebecca

2020. Triarylborane-catalysed alkenylation reaction of aryl esters with diazo compounds. Angewandte Chemie International Edition 59 (36) , pp. 15492-15496. 10.1002/anie.202007176

Davies, Philip R.

and Morgan, David J.

2020. Practical guide for x-ray photoelectron spectroscopy: applications to the study of catalysts. Journal of Vacuum Science and Technology A 38 (3) , 033204. 10.1116/1.5140747

Day, Adam H., Ubler, Martin H., Best, Hannah L., Lloyd-Evans, Emyr

, Mart, Robert J.

, Fallis, Ian A.

, Allemann, Rudolf K.

, Al-Wattar, Eman A. H., Keymer, Nathaniel I., Buurma, Niklaas J.

2020. Targeted cell imaging properties of a deep red luminescent iridium(III) complex conjugated with a c-Myc signal peptide. Chemical Science 11 (6) , pp. 1599-1606. 10.1039/C9SC05568A

Day, Adam H., Domarkas, Juozas, Nigam, Shubhanchi, Renard, Isaline, Cawthorne, Christopher, Burke, Benjamin P., Bahra, Gurmit S., Oyston, Petra C. F., Fallis, Ian A.

, Archibald, Stephen J. and Pope, Simon J. A.

2020. Towards dual SPECT/optical bioimaging with a mitochondrial targeting, 99mTc(i) radiolabelled 1,8-naphthalimide conjugate. Dalton Transactions 49 (2) , pp. 511-523. 10.1039/C9DT04024B

De Freitas, I.C., Parreira, L.S., Barbosa, E.C.M., Novaes, B.A., Mou, T., Alves, T.V., Quiroz, J., Wang, Y.-C., Slater, T.J.

, Thomas, A., Wang, B., Haigh, S.J. and Camargo, P.H.C. 2020. Design-controlled synthesis of IrO2 sub-monolayers on Au nanoflowers: Marrying plasmonic and electrocatalytic properties. Nanoscale 12 (23) , pp. 12281-12291. 10.1039/d0nr01875a

De Visser, Sam P., Rourke, Jonathan P.

and Vincent, Kylie A. 2020. Inorganic reaction mechanisms. Dalton Transactions 49 (15) , pp. 4597-4598. 10.1039/D0DT90059A

Delarmelina, Maicon

, Ferreira, Sabrina B., da Silva, Fernando de C., Ferreira, Vitor F. and Carneiro, José Walkimar de M. 2020. Hetero-Diels–Alder reactions of quinone methides: the origin of the α-regioselectivity of 3-methylene-1,2,4-naphthotriones. Journal of Organic Chemistry 85 (11) , pp. 7001-7013. 10.1021/acs.joc.0c00215

Delarmelina, Maicon

, Quesne, Matthew G. and Catlow, C. Richard A.

2020. Modelling the bulk properties of ambient pressure polymorphs of zirconia. Physical Chemistry Chemical Physics 22 (12) , pp. 6660-6676. 10.1039/D0CP00032A

Dervin, Daniel, O'Malley, A. J., Falkowska, Marta, Chansai, Sarayute, Silverwood, Ian P., Hardacre, Christopher and Catlow, C. R. A.

2020. Probing the dynamics and structure of confined benzene in MCM-41 based catalysts. Physical Chemistry Chemical Physics 22 (20) , pp. 11485-11489. 10.1039/D0CP01196G

Devlia, Jay, Smith, Louise, Douthwaite, Mark, Taylor, Stuart H.

and Dummer, Nicholas F.

2020. The formation of methanol from glycerol bio-waste over doped ceria based catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200059. 10.1098/rsta.2020.0059

Dlamini, Mbongiseni W., Phaahlamohlaka, Tumelo N., Kumi, David O., Forbes, Roy, Jewell, Linda L. and Coville, Neil J. 2020. Post doped nitrogen-decorated hollow carbon spheres as a support for Co Fischer-Tropsch catalysts. Catalysis Today 342 , pp. 99-110. 10.1016/j.cattod.2019.01.070

Dordevic, Luka, Valentini, Cataldo, Demitri, Nicola, Meziere, Cecile, Allain, Magali, Sallé, Marc, Folli, Andrea

, Mañas-Valero, Samuel, Coronado, Eugenio and Bonifazi, Davide

2020. O-doped nanographenes: a pyrano/pyrylium route towards semiconducting cationic mixed-valence complexes. Angewandte Chemie International Edition 59 (10) , pp. 4106-4114. 10.1002/anie.201914025

Dosso, Jacopo

, Battisti, Tommaso, Ward, Benjamin D.

, Demitri, Nicola, Hughes, Colan E., Williams, P. Andrew, Harris, Kenneth D. M.

and Bonifazi, Davide

2020. Boron-nitrogen-doped nanographenes: a synthetic tale from borazine precursors. Chemistry - A European Journal 26 (29) , pp. 6608-6621. 10.1002/chem.201905794

Dosso, Jacopo

2020. Bn-doped Pi-conjugated materials: from monomeric to polymeric borazine arraysS. PhD Thesis, Cardiff University.
Item availability restricted.

Douthwaite, Mark, Powell, Natasha, Taylor, Aoife

, Ford, Grayson, López, José Manuel, Solsona, Benjamin, Yang, Nating, Sanahuja-Parejo, Olga, He, Qian

, Garcia, Tomas and Taylor, Stuart H.

2020. Glycerol selective oxidation to lactic acid over AuPt nanoparticles; enhancing reaction selectivity and understanding by support modification. ChemCatChem 12 (11) , pp. 3097-3107. 10.1002/cctc.202000026

Dresselhaus, Thomas, Bungey, Callum B. A., Knowles, Peter J.

and Manby, Frederick R. 2020. Coupling electrons and vibrations in molecular quantum chemistry. The Journal of Chemical Physics 153 (21) , 214114. 10.1063/5.0032900

Dzade, Nelson Y.

2020. First-principles insights into the interface chemistry between 4-Aminothiophenol and Zinc Phosphide (Zn3P2) nanoparticles. ACS Omega 5 (2) 10.1021/acsomega.9b02736

Dzade, Nelson Y.

2020. Unravelling the early oxidation mechanism of zinc phosphide (Zn3P2) surfaces by adsorbed oxygen and water: a first-principles DFT-D3 investigation. Physical Chemistry Chemical Physics 22 (3) 10.1039/C9CP03902C

Dzade, Nelson Y.

2020. CO2 and H2O coadsorption and reaction on the low-index surfaces of tantalum nitride: a first-principles DFT-D3 investigation. Catalysts 10 (10) , 1217. 10.3390/catal10101217

Eaimsumang, Srisin, Chollacoop, Nuwong, Luengnaruemitchai, Apanee and Taylor, Stuart H.

2020. Ceria nanorod supported gold nanoparticles as structured catalysts for the oxidative steam reforming of methanol: Effect of CTAB concentration on physiochemical properties and catalyst performance. Journal of Catalysis 392 , pp. 254-265. 10.1016/j.jcat.2020.10.023

Eberlein, Lukas, Beierlein, Frank R., van Eikema Hommes, Nico J.R., Radadiya, Ashish

, Heil, Jochen, Benner, Steven A., Clark, Timothy, Kast, Stefan M. and Richards, Nigel G. J.

2020. Tautomeric equilibria of nucleobases in the hachimoji expanded genetic alphabet. Journal of Chemical Theory and Computation 16 (4) , pp. 2766-2777. 10.1021/acs.jctc.9b01079

Edgar, Ross J.L., Elliott, Paul I.P., Fennessy, Rebecca V., Gabbutt, Christopher D., Heron, B. Mark, Pope, Simon J.A.

, Sinopoli, Alessandro and Rice, Craig R. 2020. Inhibition of the photochromic behaviour of a 3,3-diphenyl-3H-pyrano[3,2-f]quinoline ligand by coordination to Ag(I) ions. Dyes and Pigments 175 , 108167. 10.1016/j.dyepig.2019.108167

Edwards, Sion 2020. Modular metallodrug antimicrobials. PhD Thesis, Cardiff University.
Item availability restricted.

Eissa, N.G., Sayers, E.J.

, Birch, D., Patel, S.G., Tsai, Y.-H.

, Nielsen, H. Mørck and Jones, Arwyn

2020. EJP18 peptide derived from the juxtamembrane domain of epidermal growth factor receptor represents a novel membrane-active cell-penetrating peptide. Biochemical Journal 477 (1) , pp. 45-60. 10.1042/BCJ20190452

El-Betany, Alaa M.M.

, Kamoun, Elbadawy A., James, Craig

, Jangher, Abdulhakim, Aljayyoussi, Ghaith, Griffiths, Peter, McKeown, Neil B. and Gumbleton, Mark

2020. Auto-fluorescent PAMAM-based dendritic molecules and their potential application in pharmaceutical sciences. International Journal of Pharmaceutics 579 , 119187. 10.1016/j.ijpharm.2020.119187

Elliott, Mark C.

2020. How to succeed in organic chemistry. Oxford: Oxford University Press.

Elliott, Mark

2020. Laying the foundations, section 1 from Elliott: how to succeed in organic chemistry. Organic and Medicinal Chemistry, Oxford University Press, pp. 3-83.

Elsherbini, Mohamed, Huynh, Florence, Dunbabin, Alice, Allemann, Rudolf

and Wirth, Thomas

2020. Selective hydroboration - oxidation of terminal alkenes under flow conditions. Chemistry - A European Journal 26 (50) , pp. 11423-11425. 10.1002/chem.202001650

Engel, Julien

, Schwartz, Elise, Catlow, Richard Charles Arthur

and Roldan, Alberto 2020. The influence of oxygen vacancy position and Ce3+ ion localisation on the properties of small gold clusters supported on CeO2-x(111). Journal of Materials Chemistry A: materials for energy and sustainability 8 (31) , pp. 15193-16026. 10.1039/D0TA01398F

Epshtein, Michael, Scutelnic, Valeriu, Yang, Zheyue, Xue, Tian, Vidal, Marta L., Krylov, Anna I., Coriani, Sonia and Leone, Stephen R. 2020. Table-top X-ray spectroscopy of benzene radical cation. The Journal of Physical Chemistry A 124 (46) , pp. 9524-9531. 10.1021/acs.jpca.0c08736

Evans, Christopher D., Douthwaite, Mark, Carter, James H., Pattisson, Samuel, Kondrat, Simon A., Bethell, Donald, Knight, David W., Taylor, Stuart H.

2020. Enhancing the understanding of the glycerol to lactic acid reaction mechanism over AuPt/TiO2 under alkaline conditions. Journal of Chemical Physics 152 (13) , 134705. 10.1063/1.5128595

Evans, Arwyn, Cummings, Matthew, Decarolis, Donato, Gianolio, Diego, Shahid, Salman, Law, Gareth, Attfield, Martin, Law, David and Petit, Camille 2020. Optimisation of Cu+ impregnation of MOF-74 to improve CO/N2 and CO/CO2 separations. RSC Advances 10 (9) , pp. 5152-5162. 10.1039/C9RA10115B

Evans, Kieren J.

and Mansell, Stephen M. 2020. Frontispiece:functionalised N-heterocyclic carbene ligands in bimetallic architectures. Chemistry - A European Journal 26 (27) 10.1002/chem.202082762

Eya, Henry Igwebuike, Ntsoenzok, Esidor and Dzade, Nelson Y.

2020. First-principles investigation of the structural, elastic, electronic, and optical properties of α– and β–SrZrS3: implications for photovoltaic applications. Materials 13 (4) , 978. 10.3390/ma13040978

Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Solovyeva, Olga S., Stishenko, Pavel V. and Myshlyavtsev, Alexander V. 2020. Homologous series of flower phases in metal-organic networks on Au(111) surface. Journal of Physical Chemistry C 124 (21) , 11506–11515. 10.1021/acs.jpcc.0c02527

Farkaš, Barbara and de Leeuw, Nora H.

2020. Towards a morphology of cobalt nanoparticles: size and strain effects. Nanotechnology 31 (19) , 195711. 10.1088/1361-6528/ab6fe0

Farkaš, Barbara, Perry, Christopher B., Jones, Glenn and de Leeuw, Nora H.

2020. Adsorbate-induced segregation of cobalt from PtCo nanoparticles: modeling Au doping and core AuCo alloying for the improvement of fuel cell cathode catalysts. Journal of Physical Chemistry C 124 (33) , pp. 18321-18334. 10.1021/acs.jpcc.0c04460

Farkas, Barbara, Terranova, Umberto and de Leeuw, Nora H.

2020. Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics 22 (3) 10.1039/C9CP04485J

Faulkner, Christopher, Santos-Carballal, David

, Plant, David F. and de Leeuw, Nora H.

2020. Atomistic molecular dynamics simulations of propofol and fentanyl in phosphatidylcholine lipid bilayers. ACS Omega 5 (24) , pp. 14340-14353. 10.1021/acsomega.0c00813

Folli, Andrea

, Choi, Heungjae

, Barter, Michael

, Harari, Jaafar, Richards, Emma

, Slocombe, Daniel

, Porch, Adrian

2020. A novel dual mode X-band EPR resonator for rapid in situ microwave heating. Journal of Magnetic Resonance 310 , 106644. 10.1016/j.jmr.2019.106644

Forensi, Silvia, Stopin, Antoine, de Leo, Federica, Wouters, Johan and Bonifazi, Davide

2020. 1,8,10-Trisubstituted anthracenyl hydrocarbons: Towards versatile scaffolds for multiple-H-bonded recognition arrays. Tetrahedron 76 (51) , 131299. 10.1016/j.tet.2020.131299

Francis, Samantha 2020. A computational study of the stability and growth of Au clusters on MgO. PhD Thesis, Cardiff University.
Item availability restricted.

Freakley, Simon J., Agarwal, Nishtha, McVicker, Rebecca U., Althahban, Sultan, Lewis, Richard J., Morgan, David J.

, Dimitratos, Nikolaos, Kiely, Christopher J.

2020. Gold–palladium colloids as catalysts for hydrogen peroxide synthesis, degradation and methane oxidation: effect of the PVP stabiliser. Catalysis Science and Technology 10 (17) , pp. 5935-5944. 10.1039/D0CY00915F

Freeman, Emma, Kumar, Santosh, Thomas, Sophie R., Pickering, Hayley, Fermin, David J. and Eslava, Salvador 2020. PrFeO 3 photocathodes prepared through spray pyrolysis. ChemElectroChem 7 (6) , pp. 1365-1372. 10.1002/celc.201902005

Fresta, Elisa, Dosso, Jacopo

, Cabanillas-Gonzalez, Juan, Bonifazi, Davide

and Costa, Rubén D. 2020. Revealing the impact of heat generation using nanographene-based light-emitting electrochemical cells. ACS Applied Materials and Interfaces 12 (25) , pp. 28426-28434. 10.1021/acsami.0c06783

Fresta, Elisa, Dosso, Jacopo

, Cabanillas-González, Juan, Bonifazi, Davide

and Costa, Rubén D. 2020. Origin of the exclusive ternary electroluminescent behavior of BN-doped nanographenes in efficient single-component white light-emitting electrochemical cells. Advanced Functional Materials 30 (33) , 1906830. 10.1002/adfm.201906830

Galstyan, Anzhela, Maurya, Yogesh Kumar, Zhylitskaya, Halina, Bae, Youn Jue, Wu, Yi-Lin

, Wasielewski, Michael R., Lis, Tadeusz, Dobrindt, Ulrich and St?pie?, Marcin 2020. π‐Extended Donor–Acceptor Porphyrins and Metalloporphyrins for Antimicrobial Photodynamic Inactivation. Chemistry - A European Journal 26 (37) , pp. 8262-8266. 10.1002/chem.201905372

Gao, Sisi, Radadiya, Ashish

, Li, Wenbo, Liu, Huanting, Zhu, Wen, de Crécy-Lagard, Valérie, Richards, Nigel G. J.

and Naismith, James H. 2020. Uncovering the chemistry of C–C bond formation in C-nucleoside biosynthesis: crystal structure of a C-glycoside synthase/PRPP complex. Chemical Communications 56 (55) , pp. 7617-7620. 10.1039/D0CC02834G

García, Tomás, Sanahuja-Parejo, Olga, Veses, Alberto, López, José Manuel, Callén, María Soledad, Solsona, Benjamin, Richards, Nia and Taylor, Stuart H.

2020. Insights into the production of upgraded biofuels using Mg-loaded mesoporous ZSM-5 zeolites. ChemCatChem 12 (20) , pp. 5236-5249. 10.1002/cctc.202000787

Gasperini, Danila, King, Andrew K., Coles, Nathan T.

, Mahon, Mary F. and Webster, Ruth L. 2020. Seeking heteroatom-rich compounds: synthetic and mechanistic studies into Iron catalyzed dehydrocoupling of silanes. ACS Catalysis 10 (11) , pp. 6102-6112. 10.1021/acscatal.0c01440

Gazis, Theodore A., Willcox, Darren and Melen, Rebecca L.

2020. Lewis acidic boranes in frustrated Lewis pair chemistry. Frustrated Lewis Pairs, Vol. 2. Molecular Catalysis, pp. 209-235. (10.1007/978-3-030-58888-5_6)

Gazis, Theodore, Mohajeri Thaker, Bayan A. J., Willcox, Darren, Ould, Darren M. C., Wenz, Jan, Rawson, Jeremy M., Hill, Michael S., Wirth, Thomas

2020. 1,3-Carboboration of iodonium ylides. Chemical Communications 56 , pp. 3345-3348. 10.1039/C9CC08749D

Gong, Xiaoxiao, Lewis, Richard J., Zhou, Song, Morgan, David J.

, Davies, Thomas E., Liu, Xi, Kiely, Christopher J.

, Zong, Baoning and Hutchings, Graham J.

2020. Enhanced catalyst selectivity in the direct synthesis of H2O2 through Pt incorporation into TiO2 supported AuPd catalysts. Catalysis Science and Technology 10 (14) , pp. 4635-4644. 10.1039/D0CY01079K

Greenaway, Alex G., Marberger, Adrian, Thetford, Adam, Lezcano-González, Inés, Agote-Arán, Miren, Nachtegaal, Maarten, Ferri, Davide, Kröcher, Oliver, Catlow, C. Richard A.

and Beale, Andrew M. 2020. Detection of key transient Cu intermediates in SSZ-13 during NH3-SCR deNOx by modulation excitation IR spectroscopy. Chemical Science 11 (2) , pp. 447-455. 10.1039/C9SC04905C

Guadix-Montero, Susana, Santos-Hernandez, Alba, Folli, Andrea

2020. Effect of support acidity during selective hydrogenolysis of glycerol over supported palladium-ruthenium catalysts. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200055. 10.1098/rsta.2020.0055

Guan, Shaoliang, Attard, Gary A. and Wain, Andrew J. 2020. Observation of substituent effects in the electrochemical adsorption and hydrogenation of alkynes on Pt{hkl} using SHINERS. ACS Catalysis 10 , pp. 10999-11010. 10.1021/acscatal.0c02967

Hancock, James 2020. Spiropyran-based materials and MOF crystal imaging. MPhil Thesis, Cardiff University.
Item availability restricted.

Hardacre, Christopher, Beale, Andrew M., Gibson, Emma K., Goodall, Josephine B. M., Goguet, Alex, Kondrat, Simon A., Malta, Grazia, Stere, Cristina, Wells, Peter P., Hutchings, Graham J.

2020. Synchrotron radiation and catalytic science. Synchrotron Radiation News 33 (1) , pp. 10-14. 10.1080/08940886.2020.1701368

Harding, Lindsay P., McRobbie, Asuka A. T., Riis-Johannessen, T., Pope, Simon J. A.

, Rice, Craig R., Rollinson, Donna and Whitehead, Martina 2020. A rhenium(I) complex which reacts with aldehydes and ketones in aqueous media: a structural, spectroscopic and theoretical analysis. Journal of Chemical Research 44 (11-12) , pp. 733-737. 10.1177/1747519820917888

Hardisty, Alex

, Saarenmaa, Hannu, Casino, Ana, Dillen, Mathias, Gördderz, Karsten, Groom, Quentin, Hardy, Helen, Koureas, Dimitris, Nieva De La Hidalga, Abraham

, Paul, Deborah L, Runnel, Veljo, Vermeersch, Xavier, van Walsum, Myriam and Willemse, Luc 2020. Conceptual design blueprint for the DiSSCo digitization infrastructure - DELIVERABLE D8.1. Research Ideas and Outcomes 6 , e54280. 10.3897/rio.6.e54280

Hardwick, Tomas and Ahmed, Nisar

2020. Digitising chemical synthesis in automated and robotic flow. Chemical Science 11 (44) , pp. 11973-11988. 10.1039/D0SC04250A

Hardwick, Tomas, Cicala, Rossana, Wirth, Thomas

and Ahmed, Nisar

2020. Memory of chirality in a room temperature flow electrochemical reactor. Scientific Reports 10 (1) , 16627. 10.1038/s41598-020-73957-6

Hardwick, Tomas, Qurashi, Ahsanulhaq, Shirinfar, Bahareh and Ahmed, Nisar

2020. Interfacial photoelectrochemical catalysis: solar-induced green synthesis of organic molecules. ChemSusChem 13 (8) , pp. 1967-1973. 10.1002/cssc.202000032

Harris, Kenneth D. M.

, Patterson, Rhian, Zhou, Yating and Collins, Stephen P. 2020. X-Ray Birefringence Imaging (XBI): a new technique for spatially resolved mapping of molecular orientations in materials. Sakamoto, Masami and Uekusa, Hidehiro, eds. Advances in Organic Crystal Chemistry: Comprehensive Reviews 2020, Springer, Singapore, pp. 3-27. (10.1007/978-981-15-5085-0_1)

Hassanain, Hawazen, Davies, E. Stephen, Lewis, William, Kays, Deborah L.

and Champness, Neil R. 2020. Morpholino-substituted BODIPY species: synthesis, structure and electrochemical studies. Crystals 10 (1) , 36. 10.3390/cryst10010036

Hassemer, Marla J., Lopes, Rogerio B., Borges, Miguel, Alves, Luis F.A., Withall, David M., Pickett, John A.

, Laumann, Raul A., Birkett, Michael A. and Blassioli-Moraes, Maria C. 2020. Development of an attract-and-infect device for biological control of lesser mealworm, Alphitobius diaperinus (Coleoptera: Tenebrionidae) in poultry houses. Biological Control 149 , 104326. 10.1016/j.biocontrol.2020.104326

Hatcher, Lauren E.

, Burgess, Ayrton J., Payne, Pollyanna and Wilson, Chick C 2020. From structure to crystallisation and pharmaceutical manufacturing: the CSD in CMAC Workflows. CrystEngComm 22 , pp. 7475-7489. 10.1039/D0CE00898B

Hatcher, Lauren E.

, Li, Wei, Payne, Pollyanna, Benyahia, Brahim, Rielly, Chris D. and Wilson, Chick C. 2020. Tuning morphology in active pharmaceutical ingredients: controlling the crystal habit of lovastatin through solvent choice and non-size-matched polymer additives. Crystal Growth and Design 20 (9) , pp. 5854-5862. 10.1021/acs.cgd.0c00470

Hatcher, Lauren E.

, Warren, Mark R., Pallipurath, Anuradha R., Saunders, Lucy K. and Skelton, Jonathan M. 2020. Watching photochemistry happen: recent developments in dynamic single-crystal X-ray diffraction studies. 21st Century Challenges in Chemical Crystallography I, Vol. 185. Structure and Bonding, Springer-verlag, pp. 199-238. (10.1007/430_2020_78)

Higham, Michael D., Mora-Fonz, David, Sokol, Alexey A., Woodley, Scott M. and Catlow, C. Richard A.

2020. Morphology of Cu clusters supported on reconstructed polar ZnO (0001) and (000[1]) surfaces†. Journal of Materials Chemistry A: materials for energy and sustainability 8 (43) , pp. 22840-22857. 10.1039/D0TA08351H

Higham, Michael, Quesne, Matthew G. and Catlow, C. Richard A.

2020. Mechanism of CO2 conversion to methanol over Cu(110) and Cu(100) surfaces. Dalton Transactions 49 (25) , 8478–8497. 10.1039/D0DT00754D

Hokamp, Tobias 2020. New Chiral Iodine(III) reagents for stereoselective synthesis. PhD Thesis, Cardiff University.

Item availability restricted.

Huang, Xiaoyang 2020. Investigations of interaction between gold and palladium in alcohol oxidation reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Huynh, Florence, Tailby, Matthew, Finniear, Aled, Stephens, Kevin, Allemann, Rudolf K.

and Wirth, Thomas

2020. Accelerating biphasic biocatalysis through new process windows. Angewandte Chemie International Edition 59 (38) , pp. 16490-16495. 10.1002/anie.202005183

Huynh, Florence 2020. Efficient chemoenzymatic synthesis of terpenes. PhD Thesis, Cardiff University.
Item availability restricted.

Islam, Husn-Ubayda, Roffey, Anna, Hollingsworth, Nathan, Bras, Wim, Sankar, Gopinathan, De Leeuw, Nora H.

and Hogarth, Graeme 2020. Understanding the role of zinc dithiocarbamate complexes as single source precursors to ZnS nanomaterials. Nanoscale Advances 2 (2) , pp. 798-807. 10.1039/C9NA00665F

Ismaila, Ammaru, Chen, Huanhao, Shao, Yan, Xu, Shaojun, Jiao, Yilai, Chen, Xueli, Gao, Xin and Fan, Xiaolei 2020. Renewable hydrogen production from steam reforming of glycerol (SRG) over ceria-modified γ-alumina supported Ni catalyst. Chinese Journal of Chemical Engineering 28 (9) , pp. 2328-2336. 10.1016/j.cjche.2020.06.025

Jarvis, Jack, Harrhy, Jonathan H., Wang, Aiguo, Bere, Takudzwa, Morgan, David John

, Carter, James H., Howe, Alexander G. R., He, Qian, Hutchings, Graham J.

and Song, Hua 2020. Inhibiting the dealkylation of basic arenes during n-alkane direct aromatization reactions and understanding the C6 ring closure mechanism. ACS Catalysis 10 , pp. 8428-8443. 10.1021/acscatal.0c02361

Jiang, Shi, Muller, Eric, Jerôme, François, Pera-Titus, Marc and De Oliveira Vigier, Karine 2020. Conversion of furfural to tetrahydrofuran-derived secondary amines under mild conditions. Green Chemistry 22 (6) , pp. 1832-1836. 10.1039/D0GC00119H

Jiang, Shi, Ramdani, Wahiba, Muller, Eric, Ma, Changru, Pera Titus, Marc, Jerôme, François and De Oliveira Vigiera, Karine 2020. Direct catalytic conversion of furfural to furan-derived amines in the presence of Ru-based Catalyst. ChemSusChem 13 (7) , pp. 1699-1704. 10.1002/cssc.202000003

Jiang, Zeyu, Jing, Meizan, Feng, Xiangbo, Xiong, Jingchao, He, Chi, Douthwaite, Mark, Zheng, Lirong, Song, Weiyu, Liu, Jian and Qu, Zhiguo 2020. Stabilizing platinum atoms on CeO2 oxygen vacancies by metal-support interaction induced interface distortion: Mechanism and application. Applied Catalysis B: Environmental 278 , 119304. 10.1016/j.apcatb.2020.119304

Jiao, Yilai, Adedigba, Abdul-Lateef, Dummer, Nicholas F.

, Liu, Jinmin, Zhou, Yangtao, Guan, Yanan, Shen, Hengyu, Perdjon, Micheal

2020. The effect of T-atom ratio and TPAOH concentration on the pore structure and titanium position in MFI-Type titanosilicate during dissolution-recrystallization process. Microporous and Mesoporous Materials 305 , 110397. 10.1016/j.micromeso.2020.110397

Jiao, Yilai, Forster, Luke, Xu, Shaojun, Chen, Huanhao, Han, Jingfeng, Liu, Xuqing, Zhou, Yangtao, Liu, Jinmin, Zhang, Jinsong, Yu, Jihong, D'Agostino, Carmine and Fan, Xiaolei 2020. Creation of Al‐enriched mesoporous ZSM‐5 nanoboxes with high catalytic activity: converting tetrahedral extra‐framework Al into framework sites by post treatment. Angewandte Chemie International Edition 59 (44) , pp. 19478-19486. 10.1002/anie.202002416

Johnson, Luke A.

, Dunbabin, Alice, Benton, Jennifer C. R., Mart, Robert J.

2020. Modular chemoenzymatic synthesis of terpenes and their analogues. Angewandte Chemie International Edition 59 (22) , pp. 8486-8490. 10.1002/anie.202001744

Jones, Andrew C., Nicholson, William I., Smallman, Harry R. and Browne, Duncan L.

2020. A robust Pd-catalyzed C–S cross-coupling process enabled by ball-milling. Organic Letters 22 (19) , pp. 7433-7438. 10.1021/acs.orglett.0c02418

Ju, Qiangjian, Ma, Ruguang, Pei, Yu, Guo, Beibei, Li, Zichuang, Liu, Qian, Thomas, Tiju, Yang, Minghui, Hutchings, Graham J.

and Wang, Jiacheng 2020. Ruthenium triazine composite: a good match for increasing hydrogen evolution activity through contact electrification. Advanced Energy Materials 10 (21) , 2000067. 10.1002/aenm.202000067

Kamble, Mahesh M., Rondiya, Sachin R., Bade, Bharat R., Kore, Kiran B., Nasane, Mamta P., Dzade, Nelson Y.

, Funde, Adinath M. and Jadkar, Sandesh R. 2020. Optical, structural and morphological study of CdS nanoparticles: Role of sulphur source. Nanomaterials and Energy 9 (1) 10.1680/jnaen.19.00041

Kaminski, R., Szarejko, Dariusz, Pedersen, Martin N., Hatcher, Lauren E.

, Kaski, Piotr, Raithby, Paul R., Wulff, Michael and Jarzembska, Katarzyna N. 2020. Instrument-model refinement in normalized reciprocal-vector space for X-ray Laue diffraction. Journal of Applied Crystallography 53 (5) , pp. 1370-1375. 10.1107/S1600576720011929

Kang, Liqun, Wang, Bolun, Bing, Qiming, Zalibera, Michal, Büchel, Robert, Xu, Ruoyu, Wang, Qiming, Liu, Yiyun, Gianolio, Diego, Tang, Chiu C., Gibson, Emma K., Danaie, Mohsen, Allen, Christopher, Wu, Ke, Marlow, Sushila, Sun, Ling-dong, He, Qian

, Guan, Shaoliang, Savitsky, Anton, Velasco-Vélez, Juan J., Callison, June, Kay, Christopher W. M., Pratsinis, Sotiris E., Lubitz, Wolfgang, Liu, Jing-yao and Wang, Feng Ryan 2020. Adsorption and activation of molecular oxygen over atomic copper(I/II) site on ceria. Nature Communications 11 , 4008. 10.1038/s41467-020-17852-8

Kang, Liqun, Wang, Bolun, Thetford, Adam, Wu, Ke, Danaie, Mohsen, He, Qian, Gibson, Emma, Sun, Ling-Dong, Asakura, Hiroyuki, Catlow, Richard

and Wang, Feng Ryan 2020. Design, identification and evolution of surface ruthenium (II/III) single-site for CO activation. Angewandte Chemie International Edition 10.1002/anie.202008370

Khidre, Rizk E., Mohamed, Hanan A., Kariuki, Benson M.

and El-Hiti, Gamal A. 2020. Facile, mild and efficient synthesis of azines using phosphonic dihydrazide. Phosphorus, Sulfur, and Silicon and the Related Elements 195 (1) , pp. 29-36. 10.1080/10426507.2019.1633531

Kidwell, Luke 2020. The synthesis and characterisation of photoresponsive metal organic frameworks and the implementation of cavity perturbation theory in the study of liquid chromatography. PhD Thesis, Cardiff University.
Item availability restricted.

Kigozi, Moses, Kali, Ravi, Bello, Abdulhakeem, Padya, Balaji, Kalu-Uka, Godwin Mong, Wasswa, John, Jain, Pawan Kumar, Onwualu, Peter Azikiwe and Dzade, Nelson Yaw

2020. Modified activation process for supercapacitor electrode materials from African maize cob. Materials 13 (23) , 5412. 10.3390/ma13235412

King, Ashley M., Sparkes, Hazel A., Wingad, Richard L. and Wass, Duncan F.

2020. Manganese diphosphine and phosphinoamine complexes are effective catalysts for the production of biofuel alcohols via the Guerbet reaction. Organometallics 39 (21) , pp. 3873-3878. 10.1021/acs.organomet.0c00588

Kirsopp, Josh 2020. First principles conceptual models of chemical reactivity: Quantitative curly arrows and frontier orbitals. PhD Thesis, Cardiff University.
Item availability restricted.

Kjellsson, L., Nanda, K. D., Rubensson, J. E., Doumy, G., Southworth, S. H., Ho, P. J., March, A. M., Al Haddad, A., Kumagai, Y., Tu, M. F., Schaller, R. D., Debnath, T., Bin Mohd Yusof, M. S., Arnold, C., Schlotter, W. F., Moeller, S., Coslovich, G., Koralek, J. D., Minitti, M. P., Vidal, M. L., Simon, M., Santra, R., Loh, Z.-H., Coriani, S., Krylov, A. I. and Young, L. 2020. Resonant inelastic x-ray scattering reveals hidden local transitions of the aqueous OH radical. Physical Review Letters 124 (23) , 236001. 10.1103/PhysRevLett.124.236001

Kreplin, David A., Knowles, Peter J.

and Werner, Hans-Joachim 2020. MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules. The Journal of Chemical Physics 152 (7) , 074102. 10.1063/1.5142241

Kulyk, Olesia, Rocard, Lou, Maggini, Laura and Bonifazi, Davide

2020. Synthetic strategies tailoring colours in multichromophoric organic nanostructures. Chemical Society Reviews 49 (23) , pp. 8400-8424. 10.1039/C9CS00555B

Kumar, Naresh, Marchesini, Sofia, Howe, Thomas, Edwards, Lee

, Brennan, Barry and Pollard, Andrew J. 2020. Nanoscale characterization of plasma functionalized graphitic flakes using tip-enhanced Raman spectroscopy. Journal of Chemical Physics 153 (18) , 184708. 10.1063/5.0024370

Lawrence, James, Sosso, Gabriele C., Đorđević, Luka, Pinfold, Harry, Bonifazi, Davide

and Costantini, Giovanni 2020. Combining high-resolution scanning tunnelling microscopy and first-principles simulations to identify halogen bonding. Nature Communications 11 , 2103. 10.1038/s41467-020-15898-2

Ledendecker, Marc, Pizzutilo, Enrico, Malta, Grazia, Fortunato, Guilherme V, Mayrhofer, Karl J. J., Hutchings, Graham J.

and Freakley, Simon J. 2020. Isolated Pd sites as selective catalysts for electrochemical and direct hydrogen peroxide synthesis. ACS Catalysis 10 (10) , pp. 5928-5938. 10.1021/acscatal.0c01305

Lee, Dong 2020. Synthesis of Nitrogen-Carbon-Nitrogen-Boron (NCNB) and Nitrogen-Boron-Nitrogen (NBN) zwitterions via a multicomponent reaction. MPhil Thesis, Cardiff University.
Item availability restricted.

Li, Yao, Zhao, Guolin, Hong, Bing, Zhao, Shuangliang, Han, Xia and Pera-Titus, Marc 2020. Unraveling particle size and roughness effects on the interfacial catalytic properties of pickering emulsions. Colloids and Surfaces A: Physicochemical and Engineering Aspects 599 , 124800. 10.1016/j.colsurfa.2020.124800

Li, Xiaoliang, Feng, Jiangjiang, Perdjon, Michal

, Oh, Rena, Zhao, Wei, Huang, Xiaoyang and Liu, Shusen 2020. Investigations of supported Au-Pd nanoparticles on synthesized CeO2 with different morphologies and application in solvent-free benzyl alcohol oxidation. Applied Surface Science 505 , 144473. 10.1016/j.apsusc.2019.144473

Li, Xiaolin, Wang, Juehua, Bai, Nannan, Zhang, Xinran, Han, Xue, da Silva, Ivan, Morris, Christopher G., Xu, Shaojun, Wilary, Damian M., Sun, Yinyong, Cheng, Yongqiang, Murray, Claire A., Tang, Chiu C., Frogley, Mark D., Cinque, Gianfelice, Lowe, Tristan, Zhang, Haifei, Ramirez-Cuesta, Anibal J., Thomas, K. Mark, Bolton, Leslie W., Yang, Sihai and Schröder, Martin 2020. Refinement of pore size at sub-angstrom precision in robust metal-organic frameworks for separation of xylenes. Nature Communications 11 (1) , 4280. 10.1038/s41467-020-17640-4

Li, Z., Ma, X., Yu, Y., Slater, T. J. A.

, Young, R. J. and Burnett, T. L. 2020. 3D visualization of 'real' graphene in nanocomposite and the related micromechanics. Presented at: 18th European Conference on Composite Materials (ECCM 2018), Athens, Greece, 24-28 June 2018. ECCM 2018 Proceedings. p. 155810.

Liu, Shikai, Gow, Isla, Davies, Thomas, Barnes, Alexandra, Meenakshisundaram, Sankar

, Gong, Xiaoxiao, Howe, Alexander G. R., Dixon, Michael, Hutchings, Graham J.

, Kiely, Christopher J.

and He, Qian 2020. Probing composition distributions in nanoalloy catalysts with correlative electron microscopy. Journal of Materials Chemistry A 8 , pp. 15725-15733. 10.1039/D0TA00334D

Lloyd, David

, Millet, Coralie O., Williams, Catrin F.

, Hayes, Anthony, Pope, Simon J. A.

, Pope, Iestyn

, Borri, Paola

, Langbein, Wolfgang

, Olsen, Lars Folke, Isaacs, Marc and Lunding, Anita 2020. Functional imaging of a model unicell: Spironucleus vortens as an anaerobic but aerotolerant flagellated protist. Advances in Microbial Physiology 76 , pp. 41-79. 10.1016/bs.ampbs.2020.01.002

Longo, Mariagiulia, De Santo, Maria Penelope, Esposito, Elisa, Fuoco, Alessio, Monteleone, Marcello, Giorno, Lidietta, Comesaña-Gándara, Bibiana, Chen, Jie, Bezzu, C. Grazia, Carta, Mariolino

, Rose, Ian, McKeown, Neil B. and Jansen, Johannes C. 2020. Correlating gas permeability and Young's modulus during the physical aging of polymers of intrinsic microporosity using atomic force microscopy. Industrial & Engineering Chemistry Research 59 (12) , p. 5381. 10.1021/acs.iecr.9b04881

Lu, Shun, Gu, Zhengrong, Hummel, Matthew, Zhou, Yue

, Wang, Keliang, Xu, Ben Bin, Wang, Yucheng, Li, Yifan, Qi, Xueqiang and Liu, Xiaoteng 2020. Nickel oxide immobilized on the carbonized eggshell membrane for electrochemical detection of urea. Journal of The Electrochemical Society 167 (10) , 106509. 10.1149/1945-7111/ab9c80

Lu, Xiuyuan, Francis, Samantha, Motta, Davide, Dimitratos, Nikolaos and Roldan, Alberto 2020. Mechanistic study of hydrazine decomposition on Ir(111). Physical Chemistry Chemical Physics 22 (7) , pp. 3883-3896. 10.1039/C9CP06525C

Luo, Z., Ji, C., Yin, L., Zhu, G., Xu, B.B., Wang, Y., Liu, T.X., Zhuge, X. and Luo, K. 2020. A Ga-Sn liquid metal-mediated structural cathode for Li-O2 batteries. Materials Today Energy 18 , 100559. 10.1016/j.mtener.2020.100559

Magagna, Barbara, Martin, Paul, Nieva de la Hidalga, Abraham

, Atkinson, Malcolm and Zhao, Zhiming Zhao, Zhiming, ed. 2020. Common challenges and requirements. Springer Verlag. 10.1007/978-3-030-52829-4_3

Malta, Grazia, Dawson, Simon R., Pattisson, Samuel, Edwards, Miles M., Freakley, Simon J., Dummer, Nicholas F.

, Schwab, Ekkehard, Bender, Michael, Teles, J. Henrique and Hutchings, Graham J.

2020. Can gold be an effective catalyst for the Deacon reaction? Catalysis Letters 150 , pp. 2991-2995. 10.1007/s10562-020-03204-0

Malta, Grazia, Kondrat, Simon A., Freakley, Simon J., Morgan, David J.

, Gibson, Emma K., Wells, Peter P., Aramini, Matteo, Gianolio, Diego, Thompson, Paul B. J., Johnston, Peter and Hutchings, Graham J.

2020. In situ K-edge X-ray absorption spectroscopy of the ligand environment of single-site Au/C catalysts during acetylene hydrochlorination. Chemical Science 11 (27) , pp. 7040-7052. 10.1039/D0SC02152K

Mandlik, Nandkumar T., Rondiya, Sachin R., Dzade, Nelson Y.

, Kulkarni, M.S., Sahare, P.D., Bhatt, B.C. and Dhole, S.D. 2020. Thermoluminescence, photoluminescence and optically stimulated luminescence characteristics of CaSO4:Eu phosphor: experimental and density functional theory (DFT) investigations. Journal of Luminescence 221 , 117051. 10.1016/j.jlumin.2020.117051

Mandlik, Nandkumar T., Sahare, P.D., Rondiya, Sachin R., Dzade, Nelson Y.

, Deore, A.V., Dahiwale, S.S. and Dhole, S.D. 2020. Characteristics of K2Ca2(SO4)3:Eu TLD nanophosphor for its applications in electron and gamma rays dosimetry. Optical Materials 109 , 110272. 10.1016/j.optmat.2020.110272

Mangham, Barry, Hanson-Heine, Magnus W. D., Davies, E. Stephen, Wriglesworth, Alisdair, George, Michael W., Lewis, William, Kays, Deborah L.

, McMaster, Jonathan, Besley, Nicholas A. and Champness, Neil R. 2020. Influence of molecular design on radical spin multiplicity: characterisation of BODIPY dyad and triad radical anions. Physical Chemistry Chemical Physics 22 (8) , pp. 4429-4438. 10.1039/C9CP06427C

Marchant, David 2020. Development of metal oxide catalysts for the removal of acetaldehyde from poly(ethylene terephthalate). PhD Thesis, Cardiff University.
Item availability restricted.

Mardle, Peter, Thirunavukkarasu, Gnanavel, Guan, Shaoliang, Chiu, Yu-Lung and Du, Shangfeng 2020. Comparative study of PtNi nanowire array electrodes toward oxygen reduction reaction by half-cell measurement and PEMFC test. ACS Applied Materials and Interfaces 12 (38) , 42832–42841. 10.1021/acsami.0c11531

Mardle, Peter, Ji, Xiaochao, Wu, Jing, Guan, Shaoliang, Dong, Hanshan and Du, Shangfeng 2020. Thin film electrodes from Pt nanorods supported on aligned N-CNTs for proton exchange membrane fuel cells. Applied Catalysis B: Environmental 260 , 118031. 10.1016/j.apcatb.2019.118031

Markham, Naomi 2020. Development of heterogeneous catalysts for automatic dishwashing. PhD Thesis, Cardiff University.
Item availability restricted.

Martín-González, Natalia, Vieira Gonçalves, Leonam, Condezo, Gabriela N., San Martín, Carmen, Rubiano Saavedra, María, Fallis, Ian

, Rubino, Joseph R., Ijaz, M. Khalid, Maillard, Jean-Yves

and De Pablo, Pedro J. 2020. Virucidal action mechanism of alcohol and divalent cations against human adenovirus. Frontiers in Molecular Biosciences 7 , 570914. 10.3389/fmolb.2020.570914

Martins, Guilherme M., Zimmer, Geórgia C., Mendes, Samuel R. and Ahmed, Nisar

2020. Electrifying green synthesis: recent advances in electrochemical annulation reactions. Green Chemistry 22 (15) , pp. 4849-4870. 10.1039/D0GC01324B

Matam, Santhosh K., Moffat, Caitlin, Hellier, Pip, Bowker, Michael

, Silverwood, Ian P., Catlow, C. Richard A.

, Jackson, S. David, Craswell, James, Wells, Peter P., Parker, Stewart F. and Gibson, Emma K. 2020. Investigation of MoOx/Al2O3 under cyclic operation for oxidative and non-oxidative dehydrogenation of propane. Catalysts 10 (12) , 1370. 10.3390/catal10121370

Matam, Santhosh K., Nastase, Stefan A. F., Logsdail, Andrew J.

and Catlow, C. Richard. A

2020. Methanol loading dependent methoxylation in zeolite H-ZSM-5. Chemical Science 11 (26) , pp. 6805-6814. 10.1039/D0SC01924K

McLaren, Rachel L., Laycock, Christian J., Morgan, David J.

and Owen, Gareth R. 2020. Boronic acids for functionalisation of commercial multi-layer graphitic material as an alternative to diazonium salts. New Journal of Chemistry 44 , pp. 19144-19154. 10.1039/D0NJ04187D

McVicker, Rebecca, Agarwal, Nishtha, Freakley, Simon J., He, Qian

, Althahban, Sultan, Taylor, Stuart H.

, Kiely, Christopher. J.

2020. Low temperature selective oxidation of methane using gold-palladium colloids. Catalysis Today 342 , pp. 32-38. 10.1016/j.cattod.2018.12.017

Meenakshisundaram, Sankar

, He, Qian

, Engel, Rebecca V., Sainna, Mala A., Logsdail, Andrew J.

, Agarwal, Nishtha, Kiely, Christopher J.

2020. Role of the support in gold-containing nanoparticles as heterogeneous catalysts. Chemical Reviews 120 (8) , pp. 3890-3938. 10.1021/acs.chemrev.9b00662

Meier-Menches, Samuel M., Aikman, Brech, Döllerer, Daniel, Klooster, Wim T., Coles, Simon J., Santi, Nicolò

, Luk, Louis

, Casini, Angela

and Bonsignore, Riccardo

2020. Comparative biological evaluation and G-quadruplex interaction studies of two new families of organometallic gold(I) complexes featuring N-heterocyclic carbene and alkynyl ligands. Journal of Inorganic Biochemistry 202 , 110844. 10.1016/j.jinorgbio.2019.110844

Mendhekar, Kishor L., Pradhan, Tapas R.

and Mohapatra, Debendra K. 2020. [3,3]-acyloxy rearrangement-triggered regioselective hydration of δ-acetoxy-α,β-alkynoates/halo alkynes. The Journal of Organic Chemistry 85 (7) , 4881–4895. 10.1021/acs.joc.0c00061

Mills, Emily M., Barlow, Victoria L., Luk, Louis Y. P.

and Tsai, Yu-Hsuan

2020. Applying switchable Cas9 variants to in vivo gene editing for therapeutic applications. Cell Biology and Toxicology 36 , pp. 17-29. 10.1007/s10565-019-09488-2

Milne, Kirstie 2020. Influence of the synthesis of Fe-MFI for partial methane oxidation. PhD Thesis, Cardiff University.
Item availability restricted.

Minova, Ivalina B., Matam, Santhosh K., Greenaway, Alex, Catlow, C. Richard A.

, Frogley, Mark D., Cinque, Gianfelice, Wright, Paul A. and Howe, Russell F. 2020. Effects of crystal size on methanol to hydrocarbon conversion over single crystals of ZSM-5 studied by synchrotron infrared microspectroscopy. Physical Chemistry Chemical Physics 22 (34) , pp. 18849-18859. 10.1039/D0CP00704H

Mishra, Pawan K.

, Chatterjee, Satyaki and Verma, Akhilesh K. 2020. 2-Alkynylarylnitrile: an emerging precursor for the generation of carbo- and heterocycles. ACS Omega 5 (50) , pp. 32133-32139. 10.1021/acsomega.0c04242

Mishra, Pawan K.

, Kumar, Ankit and Verma, Akhilesh 2020. BF3-Etherate-catalyzed tandem reaction of 2-formylarylketones with electron-rich arenes/heteroarenes: an assembly of isobenzofurans. Chemical Communications 56 (45) , pp. 6122-6125. 10.1039/D0CC02760J

Mistry, Krishna, Pringle, Paul G., Sparkes, Hazel A. and Wass, Duncan F.

2020. Transition metal cooperative Lewis pairs using platinum(0) piphosphine Mmonocarbonyl complexes as Lewis bases. Organometallics 39 (3) , pp. 468-477. 10.1021/acs.organomet.9b00568

Mitchell, Claire E. 2020. Liquid phase catalytic hydrogenation of carbon dioxide. PhD Thesis, Cardiff University.
Item availability restricted.

Mohamed, Hanan A., Alotaibi, Mohammad Hayal, Kariuki, Benson M.

and El-Hiti, Gamal A. 2020. Convenient synthesis of new heterocycles containing quinoxaline ring system. Letters in Organic Chemistry 17 (2) , pp. 121-126. 10.2174/1570178616666190311161505
Item availability restricted.

Mohamed, Hanan A., Khidre, Rizk E., Kariuki, Benson M.

and El-Hiti, Gamal A. 2020. Synthesis of novel heterocycles using 1,2,3‐triazole‐4‐carbohydrazides as precursors. Journal of Heterocyclic Chemistry 57 (3) , pp. 1055-1062. 10.1002/jhet.3840

Mora-Fonz, David, Schön, J. Christian, Prehl, Janett, Woodley, Scott M., Catlow, C. Richard A.

, Shluger, Alexander L. and Sokol, Alexey A. 2020. Real and virtual polymorphism of titanium selenide with robust interatomic potentials. Journal of Materials Chemistry A 8 (28) , pp. 14054-14061. 10.1039/D0TA03667F

Mordovina, Uliana, Bungey, Callum, Appel, Heiko, Knowles, Peter J.

, Rubio, Angel and Manby, Frederick R. 2020. Polaritonic coupled-cluster theory. Physical Review Research 2 (2) , 023262. 10.1103/PhysRevResearch.2.023262

Morteo Flores, Fabian, Engel, Julien

and Roldan Martinez, Alberto

2020. Biomass hydrodeoxygenation catalysts innovation from atomistic activity predictors. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200056. 10.1098/rsta.2020.0056

Mu, Yibing, Xu, Shaojun, Shao, Yan, Chen, Huanhao, Hardacre, Christopher and Fan, Xiaolei 2020. Kinetic study of nonthermal plasma activated catalytic CO2 hydrogenation over Ni supported on silica catalyst. Industrial & Engineering Chemistry Research 59 (20) , pp. 9478-9487. 10.1021/acs.iecr.0c01477

Mutter, Shaun T., Turner, Matthew, Deeth, Robert J. and Platts, James A.

2020. Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants. Heliyon 6 (1) , e03071. 10.1016/j.heliyon.2019.e03071

Nanda, Kaushik D., Vidal, Marta L., Faber, Rasmus, Coriani, Sonia and Krylov, Anna I. 2020. How to stay out of trouble in RIXS calculations within equation-of-motion coupled-cluster damped response theory? Safe hitchhiking in the excitation manifold by means of core–valence separation. Physical Chemistry Chemical Physics 22 (5) , pp. 2629-2641. 10.1039/C9CP03688A

Naqvi, Syed Tayyab Raza, Rasheed, Tahir, Hussain, Dilshad, Najam ul Haq, Muhammad, Majeed, Saadat, shafi, Sameera, Ahmed, Nisar

and Nawaz, Rahat 2020. Modification strategies for improving the solubility/dispersion of carbon nanotubes. Journal of Molecular Liquids 297 , 111919. 10.1016/j.molliq.2019.111919

Nasir, Jamal Abdul, Rehman, Zia ur, Shah, Syed Niaz Ali, Khan, Azam, Butler, Ian S. and Catlow, C. Richard A.

2020. Recent developments and perspectives in CdS-based photocatalysts for water splitting. Journal of Materials Chemistry A 8 (40) , pp. 20752-20780. 10.1039/D0TA05834C

Nasrallah, Ali 2020. Au & Pd surfaces: From capping agents to methane oxidation. PhD Thesis, Cardiff University.

Item availability restricted.

Nastase, Stefan A. F., Cnudde, Pieter, Vanduyfhuys, Louis, De Wispelaere, Kristof, Van Speybroeck, Veronique, Catlow, C. Richard A.

2020. Mechanistic insight into the framework methylation of H-ZSM-5 for varying methanol loading and Si/Al ratio using first principles molecular dynamics simulations. ACS Catalysis 10 , pp. 8904-8915. 10.1021/acscatal.0c01454

Nguyen, T.S., McKeever, P., Arredondo-Arechavala, M., Wang, Y.-C., Slater, T.J.A.

, Haigh, S.J., Beale, A.M. and Thompson, J.M. 2020. Correlation of the ratio of metallic to oxide species with activity of PdPt catalysts for methane oxidation. Catalysis Science and Technology 10 (5) , pp. 1408-1421. 10.1039/c9cy02371b

Nicholson, William I., Seastram, Alex C., Iqbal, Saqib A., Reed-Berendt, Benjamin G., Morrill, Louis C.

and Browne, Duncan L.

2020. N-Heterocyclic carbene acyl anion organocatalysis by ball-milling. ChemSusChem 13 (1) , pp. 131-135. 10.1002/cssc.201902346

Nieva De La Hidalga, Abraham

, Hardisty, Alex

, Martin, Paul, Magagna, Barbara and Zhao, Zhiming 2020. The ENVRI reference model. Zhao, Zhiming and Hellström, Margareta, eds. Towards Interoperable Research Infrastructures for Environmental and Earth Sciences - A Reference Model Guided Approach for Common Challenges, Lecture Notes in Computer Science, vol. 12003. Cham, Switzerland: Springer Professional, pp. 61-81.

Nieva de la Hidalga, Abraham

, Rosin, Paul L.

, Sun, Xianfang

, Bogaerts, Ann, De Meeter, Niko, De Smedt, Sofie, Strack van Schijndel, Maarten, Van Wambeke, Paul and Groom, Quentin 2020. Designing an herbarium digitisation workflow with built-in image quality management. Biodiversity Data Journal 8 , e47051. 10.3897/BDJ.8.e47051

Nödling, Alexander, Mills, Emily M., Li, Xuefei, Cardella, Davide, Sayers, Edward J.

, Wu, Shih-Hsiung, Jones, Arwyn T.

, Luk, Louis Y. P.

and Tsai, Yu-Hsuan

2020. Cyanine dye mediated mitochondrial targeting enhances the anti-cancer activity of small-molecule cargoes. Chemical Communications 56 (34) , pp. 4672-4675. 10.1039/C9CC07931A

Nödling, Alexander R., Santi, Nicolò

, Williams, Thomas L., Tsai, Yu-Hsuan

2020. Enabling protein-hosted organocatalytic transformations. RSC Advances 10 (27) , pp. 16147-16161. 10.1039/D0RA01526A

Noh, Woo Yeong, Kim, Eun Mi, Kim, Kwang Young, Kim, Jin Hyun, Jeong, Hu Young, Sharma, Pankaj

, Lee, Geunsik, Jang, Ji-Wook, Joo, Sang Hoon and Lee, Jae Sung 2020. Immobilizing single atom catalytic sites onto highly reduced carbon hosts: Fe–N4/CNT as a durable oxygen reduction catalyst for Na–air batteries. Journal of Materials Chemistry A: materials for energy and sustainability 8 (36) , pp. 18891-18902. 10.1039/D0TA06489K

Nolla-Saltiel, Roberto, Geer, Ana M., Taylor, Laurence J., Churchill, Olivia, Davies, E. Stephen, Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2020. Hydrophosphination of activated alkenes by a cobalt(I) pincer complex. Advanced Synthesis and Catalysis 362 (15) , pp. 3148-3157. 10.1002/adsc.202000514

Nori, Valeria, Dasgupta, Ayan, Babaahmadi, Rasool, Carlone, Armando, Ariafard, Alireza and Melen, Rebecca

2020. Triarylborane catalysed n-alkylation of amines with aryl esters. Catalysis Science and Technology 10 , pp. 7523-7530. 10.1039/D0CY01339K

O'Malley, Alexander J., García Sakai, Victoria, Dimitratos, Nikolaos, Jones, Wilm, Catlow, C. Richard A.

and Parker, Stewart F. 2020. Octane isomer dynamics in H-ZSM-5 as a function of Si/Al ratio: a quasi-elastic neutron scattering study. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 378 (2176) , 20200063. 10.1098/rsta.2020.0063

O'Malley, Alexander J., Logsdail, A. J.

, Sokol, A. A. and Catlow, C. R. A.

2020. Modelling metal centres, acid sites and reaction mechanisms in microporous catalysts. Faraday Discussions 188 , pp. 235-255. 10.1039/C6FD00010J

Oberkofler, Jens, Aikman, Brech, Bonsignore, Riccardo

, Pöthig, Alexander, Platts, James

, Casini, Angela

and Kühn, Fritz E. 2020. Exploring the reactivity and biological effects of heteroleptic N-Heterocyclic carbene gold(I)-Alkynyl complexes. European Journal of Inorganic Chemistry 2020 (11-12) , pp. 1040-1051. 10.1002/ejic.201901043

Odeke, Bonaventure A., Chung, Gyang D., Fajemisin, Jesutofunmi A., Suraj, Kabir S., Tonui, Denis K., Tobi, Ayinla R., Bewaale, Thomas C., Ajibola, Jamiu A. and Dzade, Nelson Y.

2020. Electronic structure and surface properties of copper thiocyanate: a promising hole transport material for organic photovoltaic cells. Materials 13 (24) , 5765. 10.3390/ma13245765

Olsson, Emilia, Cottom, Jonathon, Aparicio-Anglès, Xavier and de Leeuw, Nora H.

2020. Combined density functional theory and molecular dynamics study of Sm0.75A0.25Co1-xMnxO2.88 (A = Ca, Sr; x = 0.125, 0.25) cathode material for next generation solid oxide fuel cell. Physical Chemistry Chemical Physics 22 (2) , pp. 692-699. 10.1039/C9CP04892H

Oropeza, Freddy E., Dzade, Nelson Y.

, Pons-Martí, Amalia, Yang, Zhenni, Zhang, Kelvin H. L., de Leeuw, Nora H.

, Hensen, Emiel J. M. and Hofmann, Jan P. 2020. Electronic structure and interface energetics of CuBi2O4 photoelectrodes. Journal of Physical Chemistry C 124 (41) , pp. 22416-22425. 10.1021/acs.jpcc.0c08455

Ouaray, Zahra, Benner, Steven A., Georgiadis, Millie M. and Richards, Nigel G. J.

2020. Building better polymerases: Engineering the replication of expanded genetic alphabets. Journal of Biological Chemistry 295 (50) , pp. 17046-17059. 10.1074/jbc.REV120.013745

Ouaray, Zahra, Singh, Isha, Georgiadis, Millie M. and Richards, Nigel G. J.

2020. Building better enzymes: molecular basis of improved non-natural nucleobase incorporation by an evolved DNA polymerase. Protein Science 29 (2) 10.1002/pro.3762

Ould, Darren M. C., Carden, Jamie L., Page, Rowan and Melen, Rebecca L.

2020. Synthesis and reactivity of fluorinated triaryl aluminum complexes. Inorganic Chemistry 59 (20) , pp. 14891-14898. 10.1021/acs.inorgchem.0c01076

Ould, Darren 2020. Synthesis, structure and reactivity of phosphorus and arsenic heterocycles. PhD Thesis, Cardiff University.

Item availability restricted.

Ould, Darren and Melen, Rebecca

2020. Diazaphospholene and diazaarsolene derived homogeneous catalysis. Chemistry - A European Journal 26 (44) , pp. 9835-9845. 10.1002/chem.202001734

Paris, Charlie, Karelovic, Alejandro, Manrique, Raydel, Le Bras, Solène, Devred, François, Vykoukal, Vit, Styskalik, Ales, Eloy, Pierre and Debecker, Damien P. 2020. CO2 hydrogenation to methanol with Ga‐ and Zn‐doped mesoporous Cu/SiO2 catalysts prepared by the aerosol‐assisted sol‐gel process. ChemSusChem 13 (23) , pp. 6409-6417. 10.1002/cssc.202001951

Parker, Luke A., Carter, James H., Dummer, Nicholas F.

, Richards, Nia, Morgan, David J.

, Golunski, Stanislaw E.

2020. Ammonia decomposition enhancement by Cs-Promoted Fe/Al2O3 catalysts. Catalysis Letters 150 , pp. 3369-3376. 10.1007/s10562-020-03247-3

Parmentier, Tanja 2020. Carbon supported precious metal-based single metal site heterogeneous catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Parmezan, Talitta Regina, Brito Júnior, Salvador Lima, Carvalho, Kenia de, Aquino, Moisés de, Birkett, Michael, Pickett, John

, Nunes, Estela de Oliveira, Abdelnor, Ricardo Vilela, Campo, Clara Beatriz Hoffmann and Marcelino-Guimarães, Francismar Corrêa 2020. Transcriptional profile of genes involved in the production of terpenes and glyceollins in response to biotic stresses in soybean. Genetics and Molecular Biology 43 (4) , e20190388. 10.1590/1678-4685-gmb-2019-0388

Patra, Tuhin, Bellotti, Peter, Strieth-Kalthoff, Felix and Glorius, Frank 2020. Photosensitized intermolecular carboimination of alkenes through the persistent radical effect. Angewandte Chemie International Edition 59 (8) , pp. 3172-3177. 10.1002/anie.201912907

Patterson, Rhian 2020. Development and applications of X-ray Birefringence Imaging. PhD Thesis, Cardiff University.
Item availability restricted.

Pattisson, Samuel, Rogers, Owen, Whiston, Keith, Taylor, Stuart H.

2020. Low temperature solvent-free allylic oxidation of cyclohexene using graphitic oxide catalysts. Catalysis Today 357 , pp. 3-7. 10.1016/j.cattod.2019.04.053

Payard, Pierre-Adrien, Finidori, Céline, Guichard, Laurélia, Cartigny, Damien, Corbet, Matthieu, Khrouz, Lhoussain, Bonneviot, Laurent, Wischert, Raphael, Grimaud, Laurence and Pera-Titus, Marc 2020. Rational optimization of lewis-acid catalysts for direct alcohol amination, part 2 - titanium triflimide as new active catalyst. European Journal of Organic Chemistry 2020 (22) , pp. 3225-3228. 10.1002/ejoc.202000413

Payard, Pierre-Adrien, Finidori, Céline, Guichard, Laurélia, Cartigny, Damien, Corbet, Matthieu, Khrouz, Lhoussain, Bonneviot, Laurent, Wischert, Raphael, Grimaud, Laurence and Pera-Titus, Marc 2020. Rational pptimization of lewis-acid catalysts for the direct amination of alcohols, part 1 - activity descriptors for metal triflates and triflimides. European Journal of Organic Chemistry 2020 (22) , pp. 3219-3224. 10.1002/ejoc.202000229

Payard, Pierre-Adrien, Zheng, Yu-Ting, Zhou, Wen-Juan, Khrouz, Lhoussain, Bonneviot, Laurent, Wischert, Raphael, Grimaud, Laurence and Pera-Titus, Marc 2020. Iron triflate salts as highly active catalysts for the solvent-free oxidation of cyclohexane. European Journal of Organic Chemistry 2020 (24) , pp. 3552-3559. 10.1002/ejoc.202000263

Pezzetta, Cristofer 2020. Development of novel synthetic methodologies in photocatalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Phaahlamohlaka, Tumelo N., Dlamini, Mbongiseni W., Kumi, David O., Forbes, Roy, Jewell, Linda L. and Coville, Neil J. 2020. Co inside hollow carbon spheres as a Fischer-Tropsch catalyst: spillover effects from Ru placed inside and outside the HCS. Applied Catalysis A: General 599 , 117617. 10.1016/j.apcata.2020.117617

Platts, James A.

2020. Quantum chemical molecular dynamics and metadynamics simulation of aluminium binding to amyloid-β and related peptides. Royal Society Open Science 7 (2) , -. 10.1098/rsos.191562

Platts, James A.

and Baker, Robert J. 2020. A computational investigation of orbital overlap versus energy degeneracy covalency in [UE2]2+ (E = O, S, Se, Te) complexes. Dalton Transactions 49 (4) 10.1039/C9DT04484A

Pradhan, Tapas R.

, Lee, Hae Eun, Gonzalez-Montiel, Gisela A., Cheong, Paul Ha-Yeon and Park, Jin Kyoon 2020. Highly chemoselective esterification from O-aminoallylation of carboxylic acids: metal- and reagent-free hydrocarboxylation of allenamides. Chemistry - A European Journal 26 (61) , pp. 13826-13831. 10.1002/chem.202000778

Prado, Anselmo, González-Rodríguez, David and Wu, Yi-Lin

2020. Functional systems derived from nucleobase self-assembly. ChemistryOpen 9 (4) , pp. 409-430. 10.1002/open.201900363

Pramanik, Milan, Choudhuri, Khokan, Chakraborty, Subhayan, Ghosh, Arindam and Mal, Prasenjit 2020. (Z)-Selective anti-Markovnikov or Markovnikov thiol–yne-click reactions of an internal alkyne by amide hydrogen bond control. Chemical Communications 56 (20) , pp. 2991-2994. 10.1039/D0CC00702A

Pramanik, Milan, Choudhuri, Khokan and Mal, Prasenjit 2020. Metal-free C–S coupling of thiols and disulfides. Organic and Biomolecular Chemistry 18 (43) , pp. 8771-8792. 10.1039/D0OB01741H

Pramanik, Milan, Choudhuri, Khokan, Mathuri, Ashis and Mal, Prasenjit 2020. Dithioacetalization or thioetherification of benzyl alcohols using 9-mesityl-10-methylacridinium perchlorate photocatalyst. Chemical Communications 56 (70) 10.1039/D0CC02352C

Prentice, Joseph C. A., Aarons, Jolyon, Womack, James C., Allen, Alice E. A., Andrinopoulos, Lampros, Anton, Lucian, Bell, Robert A., Bhandari, Arihant, Bramley, Gabriel A., Charlton, Robert J., Clements, Rebecca J., Cole, Daniel J., Constantinescu, Gabriel, Corsetti, Fabiano, Dubois, Simon M.-M., Duff, Kevin K. B., Escartín, José María, Greco, Andrea, Hill, Quintin, Lee, Louis P., Linscott, Edward, O'Regan, David D., Phipps, Maximillian J. S., Ratcliff, Laura E., Serrano, Álvaro Ruiz, Tait, Edward W., Teobaldi, Gilberto, Vitale, Valerio, Yeung, Nelson, Zuehlsdorff, Tim J., Dziedzic, Jacek, Haynes, Peter D., Hine, Nicholas D. M., Mostofi, Arash A., Payne, Mike C. and Skylaris, Chris-Kriton 2020. The ONETEP linear-scaling density functional theory program. The Journal of Chemical Physics 152 , 174111. 10.1063/5.0004445

Pudkon, Watcharapong, Bahruji, Hasliza, Miedziak, Peter J., Davies, Thomas E., Morgan, David J.

, Pattisson, Samuel, Kaowphong, Sulawan and Hutchings, Graham J.

2020. Enhanced visible-light-driven photocatalytic H2 production and Cr(vi) reduction of a ZnIn2S4/MoS2 heterojunction synthesized by the biomolecule-assisted microwave heating method. Catalysis Science and Technology 10 (9) , pp. 2838-2854. 10.1039/D0CY00234H

Radadiya, Ashish

and Pickett, John A.

2020. Characterizing human odorant signals: insights from insect semiochemistry and in silico modelling. Philosophical Transactions B: Biological Sciences 375 (1800) , 20190263. 10.1098/rstb.2019.0263

Radadiya, Ashish

, Zhu, Wen, Coricello, Adriana, Alcaro, Stefano and Richards, Nigel G. J.

2020. Improving the treatment of acute lymphoblastic leukemia. Biochemistry 59 (35) , pp. 3193-3200. 10.1021/acs.biochem.0c00354

Rahane, Ganesh K., Jathar, Sagar B., Rondiya, Sachin R., Jadhav, Yogesh A., Barma, Sunil V., Rokade, Avinash, Cross, Russell W., Nasane, Mamta P., Jadkar, Vijaya, Dzade, Nelson Y.

and Jadkar, Sandesh R. 2020. Photoelectrochemical investigation on the cadmium sulfide (CdS) thin films prepared using spin coating technique. ES Materials & Manufacturing 11 , pp. 57-64. 10.30919/esmm5f1041

Ramogayana, Brian, Santos-Carballal, David

, Aparicio, Pablo A.

, Quesne, Matthew G., Maenetja, Khomotso P., Ngoepe, Phuti E. and de Leeuw, Nora H.

2020. Ethylene carbonate adsorption on the major surfaces of lithium manganese oxide Li1−xMn2O4 1 spinel (0.000 < x < 0.375): a DFT+U-D3 study. Physical Chemistry Chemical Physics 22 (12) , Phys. Chem. Chem. Phys., 2020,22, 6763-6771. 10.1039/C9CP05658K

Raynbird, Marina Y., Sampson, Joanne B., Smith, Dan A., Forsyth, Siân M., Moseley, Jonathan D. and Wells, Andrew S. 2020. Ketone reductase biocatalysis in the synthesis of chiral intermediates toward generic active pharmaceutical ingredients. Organic Process Research and Development 24 (6) , pp. 1131-1140. 10.1021/acs.oprd.0c00120

Raynbird, Marina Yamamoto, Silva, Filipa, Smallman, Harry, Khokhar, Shaista S., Neef, Daniel, Evans, Gareth J. S. and Wirth, Thomas

2020. Short total synthesis of ajoene, (E ,Z )‐4,5,9‐Trithiadodeca‐1,6,11‐triene 9‐oxide, in batch and (E ,Z )‐4,5,9‐Trithiadodeca‐1,7,11‐triene in continuous flow. Chemistry - A European Journal 26 (38) , pp. 8363-8367. 10.1002/chem.202001598

Raynbird, Marina 2020. Synthesis of sulfur-containing derivatives based on garlic metabolites and their biological activities. PhD Thesis, Cardiff University.
Item availability restricted.

Raza Naqvi, Sayed Tayyab, Rasheed, Tahir, Majeed, Saadat, Hussain, Dilshad, Fatima, Batool, Najam ul Haq, Muhammad, Nawaz, Rahat, Ahmed, Nisar

and Noon, Tubshir 2020. Nitrogen doped carbon quantum dots conjugated with AgNi alloy nanoparticles as potential electrocatalyst for efficient water splitting. Journal of Alloys and Compounds 847 , 156492. 10.1016/j.jallcom.2020.156492

Reed-Berendt, Benjamin 2020. New frontiers in borrowing hydrogen catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Reed-Berendt, Benjamin G., Mast, Nicolas and Morrill, Louis C.

2020. Manganese-catalyzed one-pot conversion of nitroarenes into N-methylarylamines uising methanol. European Journal of Organic Chemistry 2020 (9) , pp. 1136-1140. 10.1002/ejoc.201901854

Reed, Benjamen P., Cant, David J. H., Spencer, Steve J., Carmona-Carmona, Abraham Jorge, Bushell, Adam, Herrera-Gómez, Alberto, Kurokawa, Akira, Thissen, Andreas, Thomas, Andrew G., Britton, Andrew J., Bernasik, Andrzej, Fuchs, Anne, Baddorf, Arthur P., Bock, Bernd, Theilacker, Bill, Cheng, Bin, Castner, David G., Morgan, David J.

, Valley, David, Willneff, Elizabeth A., Smith, Emily F., Nolot, Emmanuel, Xie, Fangyan, Zorn, Gilad, Smith, Graham C., Yasufuku, Hideyuki, Fenton, Jeffery L., Chen, Jian, Counsell, Jonathan D. P., Radnik, Jörg, Gaskell, Karen J., Artyushkova, Kateryna, Yang, Li, Zhang, Lulu, Eguchi, Makiho, Walker, Marc, Hajdyła, Mariusz, Marzec, Mateusz M., Linford, Matthew R., Kubota, Naoyoshi, Cortazar-Martínez, Orlando, Dietrich, Paul, Satoh, Riki, Schroeder, Sven L. M., Avval, Tahereh G., Nagatomi, Takaharu, Fernandez, Vincent, Lake, Wayne, Azuma, Yasushi, Yoshikawa, Yusuke and Shard, Alexander G. 2020. Versailles Project on Advanced Materials and Standards interlaboratory study on intensity calibration for x-ray photoelectron spectroscopy instruments using low-density polyethylene. Journal of Vacuum Science and Technology A 38 (6) , 063208. 10.1116/6.0000577

Ren, Bingzhi, Lu, Jianwei, Wang, Yucheng, Gu, Xingxing, Xu, Ben Bin, Fu, Yongqing, Luo, Kun, Bayati, Maryam and Liu, Terence Xiaoteng 2020. Half-sphere shell supported Pt catalyst for electrochemical methanol xxidation. Journal of The Electrochemical Society 167 (8) , 084510. 10.1149/1945-7111/ab8dde

Richards, Nia, Carter, James H., Nowicka, Ewa, Parker, Luke A., Pattisson, Samuel, He, Qian

, Golunski, Stanislaw

2020. Structure-sensitivity of alumina supported palladium catalysts for N2O decomposition. Applied Catalysis B: Environmental 264 , 118501. 10.1016/j.apcatb.2019.118501

Richards, Nia, Carter, James H., Parker, Luke A., Pattisson, Samuel, Hewes, Daniel, Morgan, David John

, Davies, Thomas E., Dummer, Nicholas F.

, Golunski, Stanislaw

2020. Lowering the operating temperature of perovskite catalysts for N2O decomposition through control of preparation methods. ACS Catalysis 10 (10) , pp. 5430-5442. 10.1021/acscatal.0c00698

Robinson, Ailie, Bristow, Julie, Holl, Matthew V., Makalo, Pateh, Alemayehu, Wondu, Bailey, Robin L., Macloed, David, Birkett, Michael A., Caulfield, John C., Sarah, Virginia, Pickett, John A.

, Dewhirst, Sarah, Chen-Hussey, Vanessa, Woodcock, Christine M., D'Alessandro, Umberto, Last, Anna, Burton, Matthew J., Lindsay, Steve W. and Logan, James G. 2020. Responses of the putative trachoma vector, Musca sorbens, to volatile semiochemicals from human faeces. PLoS Neglected Tropical Diseases 14 (3) , e0007719. 10.1371/journal.pntd.0007719

Rogers, Owen, Pattisson, Samuel, Engel, Rebecca V., Jenkins, Robert L., Whiston, Keith, Taylor, Stuart H.

2020. Adipic acid formation from cyclohexanediol using platinum and vanadium catalysts: elucidating the role of homogeneous vanadium species. Catalysis Science and Technology 10 (13) , pp. 4210-4218. 10.1039/D0CY00914H

Romito, Deborah, Biot, Nicolas, Babudri, Francesco and Bonifazi, Davide

2020. Non-covalent bridging of bithiophenes through chalcogen bonding grips. New Journal of Chemistry 44 (17) , pp. 6732-6738. 10.1039/C9NJ06202E

Rondiya, Sachin R., Karbhal, Indrapal, Jadhav, Chandradip D., Nasane, Mamta P., Davies, Thomas E., Shelke, Manjusha V., Jadkar, Sandesh R., Chavan, Padmakar G. and Dzade, Nelson Y.

2020. Uncovering the origin of enhanced field emission properties of rGO–MnO2 heterostructures: a synergistic experimental and computational investigation. RSC Advances 10 (43) , pp. 25988-25998. 10.1039/D0RA03360J

Rondiya, Sachin R., Jadhav, Chandradip D., Chavan, Padmakar G. and Dzade, Nelson Y.

2020. Enhanced field emission properties of Au/SnSe nano-heterostructure: a combined experimental and theoretical investigation. Scientific Reports 10 , 2358. 10.1038/s41598-020-58840-8

Rondiya, Sachin R., Jadhav, Yogesh, Dzade, Nelson Y.

, Ahammed, Raihan, Goswami, Tanmay, De Sarkar, Abir, Jadkar, Sandesh, Haram, Santosh and Ghosh, Hirendra N. 2020. Experimental and theoretical study into interface structure and band alignment of the Cu2Zn1–xCdxSnS4 heterointerface for photovoltaic applications. ACS Applied Energy Materials 3 (6) , pp. 5153-5162. 10.1021/acsaem.9b02314

Rucinska, Emilia, Pattisson, Samuel, Miedziak, Peter J., Brett, Gemma L., Morgan, David J.

, Sankar, Meenakshisundaram

2020. Cinnamyl alcohol oxidation using supported bimetallic Au-Pd nanoparticles: An optimization of metal ratio and investigation of the deactivation mechanism under autoxidation conditions. Topics in Catalysis 63 , pp. 99-112. 10.1007/s11244-020-01231-0

Ruiz Castillo, Leticia 2020. Linking flow reactor and temporal analysis of product (TAP) kinetic studies. PhD Thesis, Cardiff University.

Item availability restricted.

Ruiz Esquius, Jonathan, Algara-Siller, Gerardo, Spanos, Ioannis, Freakley, Simon J., Schlögl, Robert and Hutchings, Graham J.

2020. Preparation of solid solution and layered IrOx–Ni(OH)2 oxygen evolution catalysts: toward optimizing iridium efficiency for OER. ACS Catalysis 10 (24) , pp. 14640-14648. 10.1021/acscatal.0c03866

Ruiz Esquius, Jonathan, Morgan, David J.

, Spanos, Ioannis, Hewes, Daniel G., Freakley, Simon J. and Hutchings, Graham J.

2020. Effect of base on the facile hydrothermal preparation of highly active IrOx oxygen evolution catalysts. ACS Applied Energy Materials 3 (1) , pp. 800-809. 10.1021/acsaem.9b01642

Ruiz Hernandez, Sergio E.

, Ainsworth, Richard I. and de Leeuw, Nora H.

2020. A molecular dynamics study of the effect of water diffusion into bio-active phosphate-based glass surfaces on their dissolution behaviour. Journal of Non-Crystalline Solids 548 , 120332. 10.1016/j.jnoncrysol.2020.120332

Salunke, Rahul Vilas, Mishra, Pawan Kumar

, Sanghvi, Yogesh S. and Ramesh, Namakkal G. 2020. Synthesis of novel homoazanucleosides and their peptidyl analogs. Organic and Biomolecular Chemistry 18 (29) , pp. 5639-5651. 10.1039/D0OB01046D

Santi, Micol 2020. Novel applications of α-Diazocarbonyl compounds and enabling technologies in stereoselective synthesis. PhD Thesis, Cardiff University.

Item availability restricted.

Santi, Nicolo

2020. Design and development of novel organocatalytic artificial enzymes. PhD Thesis, Cardiff University.

Item availability restricted.

Santi, Nicolò

, Morrill, Louis C.

2020. Streptavidin-hosted organocatalytic aldol addition. Molecules 25 (10) , 2457. 10.3390/molecules25102457

Sarangi, Ronit, Vidal, Marta L., Coriani, Sonia and Krylov, Anna I. 2020. On the basis set selection for calculations of core-level states: different strategies to balance cost and accuracy. Molecular Physics 118 (19-20) , e1769872. 10.1080/00268976.2020.1769872

Saue, Trond, Bast, Radovan, Gomes, André Severo Pereira, Jensen, Hans Jørgen Aa., Visscher, Lucas, Aucar, Ignacio Agustín, Di Remigio, Roberto, Dyall, Kenneth G., Eliav, Ephraim, Fasshauer, Elke, Fleig, Timo, Halbert, Loïc, Hedegård, Erik Donovan, Helmich-Paris, Benjamin, Iliaš, Miroslav, Jacob, Christoph R., Knecht, Stefan, Laerdahl, Jon K., Vidal, Marta L., Nayak, Malaya K., Olejniczak, Małgorzata, Olsen, Jógvan Magnus Haugaard, Pernpointner, Markus, Senjean, Bruno, Shee, Avijit, Sunaga, Ayaki and van Stralen, Joost N. P. 2020. The DIRAC code for relativistic molecular calculations. The Journal of Chemical Physics 152 (20) , 204104. 10.1063/5.0004844

Saverina, Evgeniya A., Kapaev, Roman R., Stishenko, Pavel V., Galushko, Alexey S., Balycheva, Victoriya A., Ananikov, Valentine P., Egorov, Mikhail P., Jouikov, Viatcheslav V., Troshin, Pavel A. and Syroeshkin, Mikhail A. 2020. 2-Carboxyethylgermanium Sesquioxide as a promising anode material for Li-Ion batteries. ChemSusChem 13 (12) , pp. 3137-3146. 10.1002/cssc.202000852

Saverina, Evgeniya A., Kapaev, Roman R., Stishenko, Pavel V., Galushko, Alexey S., Balycheva, Victoriya A., Ananikov, Valentine P., Egorov, Mikhail P., Jouikov, Viatcheslav V., Troshin, Pavel A. and Syroeshkin, Mikhail A. 2020. Cover feature: 2-Carboxyethylgermanium Sesquioxide as a promising anode material for Li-Ion batteries (ChemSusChem 12/2020). ChemSusChem 13 (12) , 3057. 10.1002/cssc.202001278

Sbei, Najoua, Martins, Guilherme M., Shirinfar, Bahareh and Ahmed, Nisar

2020. Electrochemical phosphorylation of organic molecules. Chemical Record 20 (12) , pp. 1530-1552. 10.1002/tcr.202000096

Schotten, Christiane, Leprevost, Samy K., Yong, Low Ming, Hughes, Colan E., Harris, Kenneth D. M.

and Browne, Duncan L.

2020. Comparison of the thermal stabilities of diazonium salts and their corresponding triazenes. Organic Process Research and Development 24 (10) , pp. 2336-2341. 10.1021/acs.oprd.0c00162

Selvam, Esun, Parsapur, Rajesh, Hernandez-Tamargo, Carlos, de Leeuw, Nora

and Selvam, Parasuraman 2020. Nanostructured zeolite with brain-coral morphology and tailored acidity: a self-organized hierarchical porous material with MFI topology. CrystEngComm 22 (38) , pp. 6275-6286. 10.1039/d0ce00989j

Sharma, Gitanjali, Newman, Paul D.

, Melen, Rebecca

and Platts, James A.

2020. Computational design of an intramolecular frustrated Lewis pair catalyst for enantioselective hydrogenation. Journal of Theoretical and Computational Chemistry 19 , 2. 10.1142/S0219633620500091

Sharma, Mahima, Abayakoon, Palika, Lingford, James P., Epa, Ruwan, John, Alan, Jin, Yi

, Goddard-Borger, Ethan D., Davies, Gideon J. and Williams, Spencer J. 2020. Dynamic Structural Changes Accompany the Production of Dihydroxypropanesulfonate by Sulfolactaldehyde Reductase. ACS Catalysis , p. 2826. 10.1021/acscatal.9b04427

Sharma, Gitanjali 2020. DFT Investigation of the mechanism of hydrogenation by borenium based chiral FLPs. PhD Thesis, Cardiff University.

Item availability restricted.

Shen, Hangjia, Pan, Longhai, Thomas, Tiju, Wang, Jiacheng, Guo, Xuyun, Zhu, Ye, Luo, Kan, Du, Shiyu, Guo, Haichuan, Hutchings, Graham J.

, Attfield, J. Paul and Yang, Minghui 2020. Selective and continuous electrosynthesis of hydrogen peroxide on nitrogen-doped carbon supported nickel. Cell Reports Physical Science 1 (11) , 100255. 10.1016/j.xcrp.2020.100255

Sibaev, Marat, Polyak, Iakov

, Manby, Frederick R. and Knowles, Peter J.

2020. Molecular second-quantized Hamiltonian: electron correlation and non-adiabatic coupling treated on an equal footing. The Journal of Chemical Physics 153 (12) , 124102. 10.1063/5.0018930

Sigrist, Renata, Luhavaya, Hanna, McKinnie, Shaun M. K., Ferreira da Silva, Amanda, Jurberg, Igor D., Moore, Bradley S. and Gonzaga de Oliveira, Luciana 2020. Nonlinear biosynthetic assembly of alpiniamide by a hybrid cis/trans-AT PKS-NRPS. ACS Chemical Biology 15 (4) , pp. 1067-1077. 10.1021/acschembio.0c00081

Sigrist, Renata, Paulo, Bruno S., Angolini, Célio F. F. and Gonzaga De Oliveira, Luciana 2020. Mass spectrometry-guided genome mining as a tool to uncover novel natural products. Journal of Visualized Experiments 157 , e60825. 10.3791/60825

Singleton, James 2020. Organic transformations utilising in-situ hydrogen peroxide synthesis: An experimental and theoretical study. PhD Thesis, Cardiff University.
Item availability restricted.

Slater, Thomas J. A.

, Wang, Yi-Chi, Leteba, Gerard M., Quiroz, Jhon, Camargo, Pedro H. C., Haigh, Sarah J. and Allen, Christopher S. 2020. Automated single-particle reconstruction of heterogeneous inorganic nanoparticles. Microscopy and Microanalysis 26 (6) , pp. 1168-1175. 10.1017/S1431927620024642

Smith, Louise R. 2020. Gas-phase conversions of glycerol to methanol over ceria-based catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Smith, Keith, Hegazy, Amany S. and El-Hiti, Gamal A. 2020. para-Selective chlorination of cresols and m-xylenol using sulfuryl chloride in the presence of poly(alkylene sulfide)s. Journal of Sulfur Chemistry 41 (4) , pp. 345-356. 10.1080/17415993.2020.1740226

So, Wing Ho and Xia, Jiang 2020. On-resin Passerini reaction toward C-terminal photocaged peptides. Organic Letters 22 (1) , pp. 214-218. 10.1021/acs.orglett.9b04182

Sobhy, Islam S.

, Caulfield, John C., Pickett, John A.

and Birkett, Michael A. 2020. Sensing the danger signals: cis-Jasmone reduces aphid performance on potato and modulates the magnitude of released volatiles. Frontiers in Ecology and Evolution 7 , 499. 10.3389/fevo.2019.00499

Soltani, Yashar, Dasgupta, Ayan, Gazis, Theodore A., Ould, Darren M.C., Richards, Emma

, Slater, Ben, Stefkova, Katarina, Vladimirov, Vladimir Y., Wilkins, Lewis C., Willcox, Darren and Melen, Rebecca L.

2020. Radical reactivity of frustrated Lewis pairs with diaryl esters. Cell Reports Physical Science 1 (2) 10.1016/j.xcrp.2020.100016

Spencer, Jacob, Merrikin, Danielle, Pope, Simon

, Carthey, Nicholas and Murphy, Damien

2020. CW EPR investigation of red-emitting CaS:Eu phosphors: rationalization of local electronic structure. Advanced Optical Materials 8 (22) , 2001241. 10.1002/adom.202001241

Spitaler, Urban, Bianchi, Flavia, Eisenstecken, Daniela, Castellan, Irene, Angeli, Sergio, Dordevic, Nikola, Robatscher, Peter, Vogel, Rudi F., Koschier, Elisabeth H. and Schmidt, Silvia 2020. Yeast species affects feeding and fitness of Drosophila suzukii adults. Journal of Pest Science 93 (4) , 1295–1309. 10.1007/s10340-020-01266-y

Stark, Roderick Thomas 2020. Synthesis of 2’-bromo-2’-fluoro-2’-deoxycytidine derivatives towards [18F]gemcitabine. PhD Thesis, Cardiff University.
Item availability restricted.

Stefkova, Katarina, Gierlichs, Lukas, Willcox, Darren and Melen, Rebecca L.

2020. Borocations in catalysis. Scott, Robert A., ed. Encyclopedia of Inorganic and Bioinorganic Chemistry, John Wiley & Sons Ltd., (10.1002/9781119951438.eibc2641)

Stonelake, Thomas M., Phillips, Kaitlin A., Otaif, Haleema Y., Edwardson, Zachary C., Horton, Peter N., Coles, Simon J., Beames, Joseph M.

2020. Spectroscopic and theoretical investigation of color tuning in deep-red luminescent iridium(III) complexes. Inorganic Chemistry 59 (4) 10.1021/acs.inorgchem.9b02991

Sullivan, Mark James 2020. Synthesis and properties of hydrolysable polyesters catalysed by hemilabile aluminium pendant arm macrocycle complexes. PhD Thesis, Cardiff University.
Item availability restricted.

Sun, Tu, Hughes, Colan E., Guo, Linshuo, Wei, Lei, Harris, Kenneth D. M.

, Zhang, Yue-Biao and Ma, Yanhang 2020. Direct-space structure determination of covalent organic frameworks from 3D electron diffraction data. Angewandte Chemie International Edition 59 (50) , pp. 22638-22644. 10.1002/anie.202009922

Sun, Xi, Dawson, Simon R., Parmentier, Tanja E., Malta, Grazia, Davies, Thomas E., He, Qian

, Lu, Li, Morgan, David J.

, Carthey, Nicholas, Johnston, Peter, Kondrat, Simon A., Freakley, Simon J., Kiely, Christopher J.

2020. Facile synthesis of precious-metal single-site catalysts using organic solvents. Nature Chemistry 12 , pp. 560-567. 10.1038/s41557-020-0446-z

Sun, Hongman, Zhang, Yu, Guan, Shaoliang, Huang, Jun and Wu, Chunfei 2020. Direct and highly selective conversion of captured CO2 into methane through integrated carbon capture and utilization over dual functional materials. Journal of CO2 Utilization 38 , pp. 262-272. 10.1016/j.jcou.2020.02.001

Tamiru, Amanuel, Paliwal, Rajneesh, Manthi, Samuel J., Odeny, Damaris A., Midega, Charles A. O., Khan, Zeyaur R., Pickett, John A.

and Bruce, Toby J. A. 2020. Genome wide association analysis of a stemborer egg induced "call-for-help" defence trait in maize. Scientific Reports 10 (1) , 11205. 10.1038/s41598-020-68075-2

Tang, T. M. Simon, Cardella, Davide, Lander, Alexander J., Li, Xuefei, Escudero, Jorge S., Tsai, Yu-Hsuan

2020. Use of an asparaginyl endopeptidase for chemo-enzymatic peptide and protein labeling. Chemical Science 11 (23) , pp. 5881-5888. 10.1039/D0SC02023K

Tasseroul, Jonathan, Lorenzo-Garcia, Maria Mercedes, Dosso, Jacopo

, Simon, Francois, Velari, Simone, De Vita, Alessandro, Tecilla, Paolo and Bonifazi, Davide

2020. Probing peripheral H-bonding functionalities in BN-doped polycyclic aromatic hydrocarbons. Journal of Organic Chemistry 85 (5) , pp. 3454-3464. 10.1021/acs.joc.9b03202

Taylor, Stuart H.

2020. Catalysts for oxidative destruction of volatile organic compounds. Catalysts 10 (3) , 343. 10.3390/catal10030343

Tecilla, Paolo and Bonifazi, Davide

2020. Configurational selection in azobenzene-based supramolecular systems through dual-stimuli processes. ChemistryOpen 9 (5) , pp. 538-553. 10.1002/open.202000045

Terranova, Umberto, Viñes, Francesc, De Leeuw, Nora Henriette

and Illas, Francesc 2020. Mechanisms of carbon dioxide reduction on strontium titanate perovskites. Journal of Materials Chemistry A 8 , pp. 9392-9398. 10.1039/D0TA01502D

Thaore, Vaishali B., Armstrong, Robert D., Hutchings, Graham J.

, Knight, David W., Chadwick, David and Shah, Nilay 2020. Sustainable production of glucaric acid from corn stover via glucose oxidation: an assessment of homogeneous and heterogeneous catalytic oxidation production routes. Chemical Engineering Research and Design 153 , pp. 337-349. 10.1016/j.cherd.2019.10.042

Thomas, Sophie R., Bonsignore, Riccardo

, Escudero Sanchez, Jorge, Meier-Menches, Samuel M., Brown, Christopher, Wolf, Mike, Barone, Giampaolo, Luk, Louis Y.

and Casini, Angela 2020. Exploring the chemoselectivity towards cysteine arylation by cyclometalated Au(III) compounds: new mechanistic insights. ChemBioChem 21 (21) , pp. 3071-3076. 10.1002/cbic.202000262

Thomas, Sophie R. and Casini, Angela

2020. Gold compounds for catalysis and metal-mediated transformations in biological systems. Current Opinion in Chemical Biology 55 , pp. 103-110. 10.1016/j.cbpa.2019.12.007

Tormet-González, Gabriela D., Wilson, Carolina, de Oliveira, Gabriel Stephani, dos Santos, Jademilson Celestino, Gonzaga de Oliveira, Luciana and Dias, Marcio Vinicius Bertacine 2020. An epoxide hydrolase from endophytic Streptomyces shows unique structural features and wide biocatalytic activity. Acta Crystallographica Section D: Structural Biology 76 (9) , pp. 868-875. 10.1107/S2059798320010402

Ungerer, Marietjie J.

, Santos-Carballal, David

, Cadi-Essadek, Abdelaziz, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H.

2020. Interaction of SO2 with the platinum (001), (011), and (111) surfaces: a DFT study. Catalysts 10 (5) , 558. 10.3390/catal10050558

Vahl, Alexander, Lupan, Oleg, Santos-Carballal, David

, Postica, Vasile, Hansen, Sandra, Cavers, Heather, Wolff, Niklas, Terasa, Maik-Ivo, Hoppe, Mathias, Cadi-Essadek, Abdelaziz, Dankwort, Torben, Kienle, Lorenz, de Leeuw, Nora H.

, Adelung, Rainer and Faupel, Franz 2020. Surface functionalization of ZnO:Ag columnar thin films with AgAu and AgPt bimetallic alloy nanoparticles as an efficient pathway for highly sensitive gas discrimination and early hazard detection in batteries. Journal of Materials Chemistry A 8 (32) , pp. 16246-16264. 10.1039/D0TA03224G

Vakili, R., Slater, T.J.A.

, Hardacre, C., Walton, A.S. and Fan, X. 2020. PtNi bimetallic structure supported on UiO-67 metal-organic framework (MOF) during CO oxidation. Journal of Catalysis 391 , pp. 522-529. 10.1016/j.jcat.2020.09.013

Valikhani, Donya, Srivastava, Prabhakar L.

, Allemann, Rudolf K.

and Wirth, Thomas

2020. Immobilised enzymes for sesquiterpene synthesis in batch and flow systems. ChemCatChem 12 (8) , pp. 2194-22197. 10.1002/cctc.201902135

Venezia, B., Cao, E., Matam, S. K., Waldron, C., Cibin, G., Gibson, E. K., Golunski, S., Wells, P. P., Silverwood, I., Catlow, C. R. A.

, Sankar, G. and Gavriilidis, A. 2020. Silicon microfabricated reactor for operando XAS/DRIFTS studies of heterogeneous catalytic reactions. Catalysis Science and Technology 10 (23) , pp. 7842-7856. 10.1039/D0CY01608J

Vidal, Marta L., Epshtein, Michael, Scutelnic, Valeriu, Yang, Zheyue, Xue, Tian, Leone, Stephen R., Krylov, Anna I. and Coriani, Sonia 2020. Interplay of open-shell spin-coupling and Jahn–Teller distortion in benzene radical cation probed by X-ray spectroscopy. The Journal of Physical Chemistry A 124 (46) , pp. 9532-9541. 10.1021/acs.jpca.0c08732

Vidal, Marta L., Krylov, Anna I. and Coriani, Sonia 2020. Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states. Physical Chemistry Chemical Physics 22 (5) , pp. 2693-2703. 10.1039/C9CP03695D

Vidal, Marta L., Pokhilko, Pavel, Krylov, Anna I. and Coriani, Sonia 2020. Equation-of-motion coupled-cluster theory to model L-edge x-ray absorption and photoelectron spectra. Journal of Physical Chemistry Letters 11 (19) , pp. 8314-8321. 10.1021/acs.jpclett.0c02027

Wamonje, Francis O., Donnelly, Ruairí, Tungadi, Trisna D., Murphy, Alex M., Pate, Adrienne E., Woodcock, Christine, Caulfield, John, Mutuku, J. Musembi, Bruce, Toby J. A., Gilligan, Christopher A., Pickett, John A.

and Carr, John P. 2020. Different plant viruses induce changes in feeding behavior of specialist and generalist aphids on common bean that are likely to enhance virus transmission. Frontiers in Plant Science 10 , 1811. 10.3389/fpls.2019.01811

Wamonje, Francis O., Tungadi, Trisna D., Murphy, Alex M., Pate, Adrienne E., Woodcock, Christine, Caulfield, John C., Mutuku, J. Musembi, Cunniffe, Nik J., Bruce, Toby J. A., Gilligan, Christopher A., Pickett, John A.

and Carr, John P. 2020. Three aphid-transmitted viruses encourage vector migration from infected common bean (Phaseolus vulgaris) plants through a combination of volatile and surface cues. Frontiers in Plant Science 11 , 613772. 10.3389/fpls.2020.613772

Wang, Sheng, Lewis, Richard J., Doronkin, Dmitry E., Morgan, David J.

, Grunwaldt, Jan-Dierk, Hutchings, Graham J.

and Behrens, Silke 2020. The direct synthesis of hydrogen peroxide from H2 and O2 using Pd–Ga and Pd–In catalysts. Catalysis Science and Technology 10 , pp. 1925-1932. 10.1039/C9CY02210D

Waykar, Ravindra, Bhorde, Ajinkya, Nair, Shruthi, Pandharkar, Subhash, Gabhale, Bharat, Aher, Rahul, Rondiya, Sachin, Waghmare, Ashish, Doiphode, Vidya, Punde, Ashvini, Vairale, Priti, Prasad, Mohit and Jadkar, Sandesh 2020. Environmentally stable lead-free cesium bismuth iodide (Cs3Bi2I9) perovskite: Synthesis to solar cell application. Journal of Physics and Chemistry of Solids 146 , 109608. 10.1016/j.jpcs.2020.109608

Weeks, E. N. I., Logan, J. G., Birkett, M. A., Caulfield, J. C., Gezan, S. A., Welham, S. J., Brugman, V. A., Pickett, J. A.

and Cameron, M. M. 2020. Electrophysiologically and behaviourally active semiochemicals identified from bed bug refuge substrate. Scientific Reports 10 (1) , 4590. 10.1038/s41598-020-61368-6

Werner, Hans-Joachim, Knowles, Peter J.

, Manby, Frederick R., Black, Joshua A., Doll, Klaus, Heßelmann, Andreas, Kats, Daniel, Köhn, Andreas, Korona, Tatiana, Kreplin, David A., Ma, Qianli, Miller, Thomas F., Mitrushchenkov, Alexander, Peterson, Kirk A., Polyak, Iakov

, Rauhut, Guntram and Sibaev, Marat 2020. The Molpro quantum chemistry package. The Journal of Chemical Physics 152 (14) , 144107. 10.1063/5.0005081

Westphal, Regina, de Souza Pina, Jorge Welton, Franco, Juliana Panceri, Ribeiro, Josimar, Delarmelina, Maicon

, Fiorot, Rodolfo Goetze, de Mesquita Carneiro, José Walkimar and Greco, Sandro José 2020. Synthesis and evaluation of corrosion inhibiting activity of new molecular hybrids containing the morpholine, 1,4-naphthoquinone, 7-chloroquinoline and 1,3,5-triazine cores. Advances in Chemical Engineering and Science 10 (4) , pp. 378-398. 10.4236/aces.2020.104024

Willcox, Darren, Carden, Jamie L., Ruddy, Adam J., Newman, Paul D.

2020. Asymmetric ketone hydroboration catalyzed by alkali metal complexes derived from BINOL ligands. Dalton Transactions 49 (8) , pp. 2417-2420. 10.1039/D0DT00232A

Williams, Matthew T. J., Morrill, Louis C.

and Browne, Duncan L. 2020. Expedient organocatalytic Aza-Morita–Baylis–Hillman reaction through ball-milling. ACS Sustainable Chemistry and Engineering 8 (48) , pp. 17876-17881. 10.1021/acssuschemeng.0c07320

Wilson, Andrew S. S., Dinoi, Chiara, Hill, Michael S., Mahon, Mary F., Maron, Laurent and Richards, Emma

2020. Calcium hydride reduction of polycyclic aromatic hydrocarbons. Angewandte Chemie International Edition 59 (3) , pp. 1232-1237. 10.1002/anie.201913895

Winterson, Bethan and Wirth, Thomas

2020. Electrochemistry in flow for drug discovery. Topics in Medicinal Chemistry, Vol. 38. Springer, pp. 121-172. (10.1007/7355_2021_115)

Wirth, Thomas

and Amri, Nasser 2020. Accelerating electrochemical synthesis through automated flow: efficient synthesis of chalcogenophosphites. SYNLETT 31 (19) , pp. 1894-1898. 10.1055/s-0040-1707141

Wirth, Thomas

and Hokamp, Tobias 2020. Hypervalent iodine(III)‐catalysed enantioselective α‐acetoxylation of ketones. Chemistry - A European Journal 26 (46) , pp. 10417-10421. 10.1002/chem.202000927

Woodley, Scott M., Day, Graeme M. and Catlow, R.

2020. Structure prediction of crystals, surfaces and nanoparticles. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 378 (2186) , 20190600. 10.1098/rsta.2019.0600

Wragg, Darren, Leoni, Stefano

and Casini, Angela 2020. Aquaporin-driven hydrogen peroxide transport: a case of molecular mimicry? RSC Chemical Biology 1 (5) , pp. 390-394. 10.1039/D0CB00160K

Wu, Longfei, Dzade, Nelson Y.

, Chen, Ning, van Dijk, Bas, Balasubramanyam, Shashank, Sharma, Akhil, Gao, Lu, Hetterscheid, Dennis G. H., Hensen, Emiel J. M., Bol, Ageeth A., De Leeuw, Nora H. and Hofmann, Jan P. 2020. Cu electrodeposition on nanostructured MoS2 and WS2 and implications for HER active site determination. Journal of The Electrochemical Society 167 (11) , 116517. 10.1149/1945-7111/aba5d8

Xie, Bingqiao, Wong, Roong Jien, Tan, Tze Hao, Higham, Michael, Gibson, Emma K., Decarolis, Donato, Callison, June, Aguey-Zinsou, Kondo-Francois, Bowker, Michael

, Scott, Jason and Amal, Rose 2020. Synergistic ultraviolet and visible light photo-activation enables intensified low-temperature methanol synthesis over copper/zinc oxide/alumina. Nature Communications 11 , 1615. 10.1038/s41467-020-15445-z

Xu, Shanshan, Chansai, Sarayute, Xu, Shaojun, Stere, Cristina E., Jiao, Yilai, Yang, Sihai, Hardacre, Christopher and Fan, Xiaolei 2020. CO poisoning of Ru catalysts in CO2 hydrogenation under thermal and plasma conditions: a combined kinetic and diffuse reflectance infrared fourier transform spectroscopy–mass spectrometry study. ACS Catalysis 10 (21) , pp. 12828-12840. 10.1021/acscatal.0c03620

Xu, Shanshan, Chansai, Sarayute, Shao, Yan, Xu, Shaojun, Wang, Yi-chi, Haigh, Sarah, Mu, Yibing, Jiao, Yilai, Stere, Cristina E., Chen, Huanhao, Fan, Xiaolei and Hardacre, Christopher 2020. Mechanistic study of non-thermal plasma assisted CO2 hydrogenation over Ru supported on MgAl layered double hydroxide. Applied Catalysis B: Environmental 268 , 118752. 10.1016/j.apcatb.2020.118752

Yan, Yuncheng, Kariuki, Benson M.

, Hughes, Colan E., Logsdail, Andrew J.

and Harris, Kenneth D. M.

2020. Polymorphism in a multicomponent crystal system of trimesic acid and t-butylamine. Crystal Growth and Design 20 (9) , pp. 5736-5744. 10.1021/acs.cgd.0c00163

Yang, Bingyu, Douyère, Grégory, Leclercq, Loïc, Nardello-Rataj, Véronique and Pera-Titus, Marc 2020. One-pot oxidative cleavage of cyclic olefins for the green synthesis of dicarboxylic acids in Pickering emulsions in the presence of acid phosphate additives. Catalysis Science and Technology 10 (19) , pp. 6723-6728. 10.1039/D0CY01225D

Yang, Huaqin, Ingen, Yara, Blom, Burgert, Rastogi, Sanjay and Romano, Dario 2020. Structural modification of phenoxyimine titanium complexes and activation studies with alkylaluminum compounds. ChemCatChem 12 (20) , pp. 5209-5220. 10.1002/cctc.202000731

Yao, Benzhen, Xiao, Tiancun, Makgae, Ofentse A., Jie, Xiangyu, Gonzalez-Cortes, Sergio, Guan, Shaoliang, Kirkland, Angus I., Dilworth, Jonathan R., Al-Megren, Hamid A., Alshihri, Saeed M., Dobson, Peter J., Owen, Gari P., Thomas, John M. and Edwards, Peter P. 2020. Transforming carbon dioxide into jet fuel using an organic combustion-synthesized Fe-Mn-K catalyst. Nature Communications 11 (1) , 6395. 10.1038/s41467-020-20214-z

Yashwanth, H.J., Rondiya, Sachin R., Dzade, Nelson Y.

, Dhole, S.D., Phase, D.M. and Hareesh, K. 2020. Enhanced photocatalytic activity of N, P, co-doped carbon quantum dots: an insight from experimental and computational approach. Vacuum 180 , 109589. 10.1016/j.vacuum.2020.109589

Yin, JieXiang, Stark, Roderick T., Fallis, Ian A.

and Browne, Duncan L.

2020. A mechanochemical zinc-mediated barbier-type allylation reaction under ball-milling conditions. Journal of Organic Chemistry 85 (4) , pp. 2347-2354. 10.1021/acs.joc.9b02876

Ywaya, David O., Birkett, Michael A., Pickett, John A.

, Ochola, John B., Wilber, Lwande, Wachira, Benson M., Hassanali, Ahmed and Ng'ang'a, Margaret M. 2020. Repellency and composition of essential oils of selected ethnobotanical plants used in Western Kenya against bites of Anopheles gambiae Sensu Stricto. Journal of Essential Oil Bearing Plants 23 (3) , pp. 432-441. 10.1080/0972060X.2020.1780954

Zhang, Bin, Douthwaite, Mark, Liu, Qiang, Zhang, Chao, Wu, Qifan, Shi, Ruhui, Wu, Peixuan, Liu, Ke, Wang, Zhuangqing, Lin, Weiwei, Cheng, Haiyang, Ma, Ding, Zhao, Fengyu and Hutchings, Graham J.

2020. Seed- and solvent-free synthesis of ZSM-5 with tuneable Si/Al ratios for biomass hydrogenation. Green Chemistry 22 (5) , pp. 1630-1638. 10.1039/C9GC03622A

Zhang, Yan, Mustapha, Abdullah Naseer, Zhang, Xiaotong, Baiocco, Daniele, Wellio, Gilmore, Davies, Thomas, Zhang, Zhibing and Li, Yongliang 2020. Improved volatile cargo retention and mechanical properties of capsules via sediment-free in situ polymerization with cross-linked poly(vinyl alcohol) as an emulsifier. Journal of Colloid and Interface Science 568 , pp. 155-164. 10.1016/j.jcis.2020.01.115

Zhao, Pengfei, Soin, Navneet, Kumar, Amit, Shi, Lin, Guan, Shaoliang, Tsonos, Christos, Yu, Zidong, Ray, Sekhar Chandra, McLaughlin, James A., Zhu, Zhigang, Zhou, Erping, Geng, Junfeng, See, Chan H. and Luo, Jikui 2020. Expanding the portfolio of tribo-positive materials: Aniline formaldehyde condensates for high charge density triboelectric nanogenerators. Nano Energy 67 , 104291. 10.1016/j.nanoen.2019.104291

Zheng, Xiaoli, Li, Zhuoru, Gao, Wei, Meng, Xiaoting, Li, Xuefei, Luk, Louis Y. P.

, Zhao, Yibing, Tsai, Yu-Hsuan

and Wu, Chuanliu 2020. Condensation of 2-((Alkylthio)(aryl)methylene)malononitrile with 1,2-Aminothiol as a novel bioorthogonal reaction for site-specific protein modification and peptide cyclization. Journal of the American Chemical Society 142 (11) , pp. 5097-5103. 10.1021/jacs.9b11875

Zhu, Wen, Liu, Xuan, Hughes, Margaret, de Crécy-Lagard, Valérie and Richards, Nigel G. J.

2020. Whole-genome sequence of Streptomyces kaniharaensis Shomura and Niida SF-557. Microbiology Resource Announcements 9 (14) , e01434-19. 10.1128/MRA.01434-19

Zimmermann, Domenik M, Seufert, Knud, Dordevic, Luka, Hoh, Tobias, Joshi, Sushobhan, Marangoni, Tomas, Bonifazi, Davide

and Auwärter, Willi 2020. Self-assembly and spectroscopic fingerprints of photoactive pyrenyl tectons on hBN/Cu(111). Beilstein Journal of Nanotechnology 11 , pp. 1470-1483. 10.3762/bjnano.11.130

Živković, Aleksandar

2020. Exploring the formation of intrinsic p -type and n -type defects in CuO. Physical Review Materials 4 (7) , 074606. 10.1103/PhysRevMaterials.4.074606

Ðorđević, Luka, Milano, Domenico, Demitri, Nicola and Bonifazi, Davide

2020. O-annulation to polycyclic aromatic hydrocarbons: a tale of optoelectronic properties from five- to seven-membered rings. Organic Letters 22 (11) , pp. 4283-4288. 10.1021/acs.orglett.0c01331

2019

Abagale, Samson A, Woodcock, Christine M, Chamberlain, Keith, Osafo-Acquaah, Samuel, van Emden, Helmut, Birkett, Michael A, Pickett, John A

and Braimah, Haruna 2019. Attractiveness of host banana leaf materials to the banana weevil, Cosmopolites sordidus in Ghana for development of field management strategies. Pest Management Science 75 (2) , pp. 549-555. 10.1002/ps.5182

Abdullah, Norli, Bahruji, Hasliza, Rogers, Scott M., Wells, Peter P., Catlow, C. Richard A.

2019. Pd local structure and size correlations to the activity of Pd/TiO2 for photocatalytic reforming of methanol. Physical Chemistry Chemical Physics 21 (29) , pp. 16154-16160. 10.1039/C9CP00826H

Abis, Laura, Dimitratos, Nikolaos

, Freakley, Simon J. and Hutchings, Graham J.

2019. Plasmonic oxidation of glycerol using AuPd/TiO2 catalysts. Catalysis Science and Technology 9 (20) , pp. 5686-5691. 10.1039/C9CY01409H

Agrawal, Kushagra and Kishore, Nanda 2019. Computational study on kinetics of conversion of bio-oil model compound - Anisole, to platform chemicals. Journal of Physics: Conference Series 1276 (1) , 012071. 10.1088/1742-6596/1276/1/012071

Agrawal, Kushagra, Verma, Anand M. and Kishore, Nanda 2019. Thermochemical conversion of guaiacol in aqueous phase by density functional theory. ChemistrySelect 4 (20) , pp. 6013-6025. 10.1002/slct.201900437

Agrawal, Kushagra, Verma, Anand Mohan and Kishore, Nanda 2019. DFT investigation on thermochemical analyses of conversion of xylose to linear alkanes in aqueous phase. Journal of Molecular Graphics and Modelling 90 , pp. 199-209. 10.1016/j.jmgm.2019.05.005

Ahmed, Nisar

and Vgenopoulou, Aggeliki 2019. Flow electrochemical cyclizations via amidyl radicals: easy access to cyclic ureas. SynOpen 03 (01) , pp. 46-48. 10.1055/s-0037-1611772

Akimenko, S. S., Gorbunov, V. A., Myshlyavtsev, A. V. and Stishenko, P. V. 2019. Tensor renormalization group study of hard-disk models on a triangular lattice. Physical Review E 100 (2) , 022108. 10.1103/PhysRevE.100.022108

Al Rahal, Okba, Hughes, Colan E., Williams, P. Andrew, Logsdail, Andrew J.

, Diskin-Posner, Yael and Harris, Kenneth D. M.

2019. Polymorphism of L-tryptophan. Angewandte Chemie International Edition 58 (52) , pp. 18788-18792. 10.1002/anie.201908247

Al Rahal, Okba 2019. Solid-state chemistry of pharmaceutical co-crystals, amino acids and other materials. PhD Thesis, Cardiff University.
Item availability restricted.

Al-Riyahee, Ali A.A., Horton, Peter N., Coles, Simon J., Amoroso, Angelo J.

2019. Syntheses, X-ray structures and characterisation of luminescent chromium(III) complexes incorporating 8-quinolinato ligands. Polyhedron 157 , p. 396. 10.1016/j.poly.2018.10.019

Al-Sudani, Abdul-Razak H., Abdulridha, Myasim Qasim and Kariuki, Benson M.

2019. Di-μ3-chlorido-tetra-μ2-chlorido-dichloridotetrakis(N,N-diethylethane-1,2-diamine-κ2N,N′)tetracadmium(II). IUCrData 4 (12) , -. 10.1107/S2414314619016183

Aldosari, Obaid Fahad, Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. 5-Methyl-N'-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide, C22H22N8O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 1027-1029. 10.1515/ncrs-2019-0241

Aldosari, Obaid Fahad, Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A.

2019. 7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-N-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide-dimethylformamide (2/1), C27H23F2N3S, 0.5(C3H7NO). Zeitschrift für Kristallographie - New Crystal Structures 234 (6) , pp. 1141-1143. 10.1515/ncrs-2019-0261

Alghamdi, Nuha 2019. New derivatives of nitroimidazoles for the potential imaging and therapeutic treatment of hypoxic tissue. PhD Thesis, Cardiff University.

Item availability restricted.

Alghareeb, Shaimaa 2019. Selective oxidation of n-butanol using heterogeneous platinum metal nanoparticulate-based catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Aljdaimi, A., Devlin, H., Dickinson, M., Burnett, T. and Slater, T.J.A.

2019. Micron-scale crack propagation in laser-irradiated enamel and dentine studied with nano-CT. Clinical Oral Investigations 23 (5) , pp. 2279-2285. 10.1007/s00784-018-2654-0

Allemann, Rudolf K

, Scott, Alan F., Luk, Louis Y.-P.

, Tuñón, Iñaki and Moliner, Vicent 2019. Heavy enzymes and the rational redesign of protein catalysts. ChemBioChem 20 (22) , pp. 2807-2812. 10.1002/cbic.201900134

Allen, Benjamin D. W., Mishra, Deepak, Seastram, Alex C., McBride, Tom, Wirth, Thomas

, Browne, Duncan L.

2019. Manganese-catalyzed electrochemical deconstructive chlorination of cycloalkanols via alkoxy radicals. Organic Letters 21 (22) , pp. 9241-9246. 10.1021/acs.orglett.9b03652

Alotaibi, Faisal, Al-Mayman, Sulaiman, Alotaibi, Mohammad, Edwards, Jennifer K.

, Lewis, Richard J., Alotaibi, Raja and Hutchings, Graham J.

2019. Direct synthesis of hydrogen peroxide using Cs-containing heteropolyacid-supported palladium-copper catalysts. Catalysis Letters 149 (4) , pp. 998-1006. 10.1007/s10562-019-02680-3

Alotaibi, Mohammad Hayal, Abdel-Wahab, Bakr F., Aldosari, Obaid Fahad, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. The crystal structure of N-(7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbonothioyl)benzamide, C28H23F2N3OS. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 1083-1085. 10.1515/ncrs-2019-0281

Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O. Zeitschrift für Kristallographie - New Crystal Structures 234 (3) , 543. 10.1515/ncrs-2018-0546

Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. Crystal structure of N'-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2) , pp. 361-362. 10.1515/ncrs-2018-0420

Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal 2019. Crystal structure of N'-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C18H17N5O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2) , pp. 355-357. 10.1515/ncrs-2018-0417

Alqahtani, Alaa, Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. Synthesis and crystal structure of 2-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2,3-dihydro-1H-inden-1-one, C23H16N2OS. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 969-971. 10.1515/ncrs-2019-0189

Amri, Nasser, Skilton, Ryan, Guthrie, Duncan and Wirth, Thomas

2019. Efficient flow electrochemical alkoxylation of N-formylpyrrolidine. SYNLETT 30 (10) , pp. 1183-1186. 10.1055/s-0037-1611774

Angelastro, Antonio

, Ruiz-Pernía, J. Javier, Tuñón, Iñaki, Moliner, Vicent, Luk, Louis Y. P.

2019. Loss of hyperconjugative effects drives hydride transfer during dihydrofolate reductase catalysis. ACS Catalysis 9 (11) , pp. 10343-10349. 10.1021/acscatal.9b02839

Antonangelo, Ariana R., Bezzu, C. Grazia, McKeown, Neil B. and Nakagaki, Shirley 2019. Highly active manganese porphyrin-based microporous network polymers for selective oxidation reactions. Journal of Catalysis 369 , pp. 133-142. 10.1016/j.jcat.2018.10.036

Armstrong, Katherine 2019. Characterisation and reactivity of TiO2 based materials for environmental applications; An EPR Investigation. PhD Thesis, Cardiff University.

Item availability restricted.

Armstrong, Robert David, Hirayama, Jun, Knight, David W and Hutchings, Graham J.

2019. Quantitative determination of Pt- catalyzed D-glucose oxidation products using 2D NMR. ACS Catalysis 9 (1) , pp. 325-335. 10.1021/acscatal.8b03838

Asghar, Aisha, Iqbal, Naseem, Noor, Tayyaba, Ali, Majid and Easun, Timothy L.

2019. Efficient one-pot synthesis of a hexamethylenetetramine-doped Cu-BDC metal-organic framework with enhanced CO2 adsorption. Nanomaterials 9 (8) , 1063. 10.3390/nano9081063

Bade, Bharat R., Rondiya, Sachin, Bhopale, Somnath R., Dzade, Nelson Y.

, Kamble, Mahesh M., Rokade, Avinash, Nasane, Mamta P., More, Mahendra A., Jadkar, Sandesh R. and Funde, Adinath M. 2019. Investigation of growth mechanism for highly oriented TiO2 nanorods: the role of reaction time and annealing temperature. SN Applied Sciences 1 (9) , 1073. 10.1007/s42452-019-0978-2

Bae, Youn Jue, Christensen, Joseph A., Kang, Gyeongwon, Zhou, Jiawang, Young, Ryan M., Wu, Yi-Lin

, Van Duyne, Richard P., Schatz, George C. and Wasielewski, Michael R. 2019. Substituent effects on energetics and crystal morphology modulate singlet fission in 9,10-bis(phenylethynyl)anthracenes. Journal of Chemical Physics 151 (4) , 044501. 10.1063/1.5110411

Bae, YounJue, Christensen, Joseph, Kang, Gyeongwon, Malliakas, Christos D., Zhou, Jiawang, Nelson, Jordan, Young, Ryan M., Wu, Yi-Lin

, Van Duyne, Richard P., Schatz, George, Wasielewski, Michael R., Congreve, Daniel, Bronstein, Hugo A., Nielsen, Christian and Deschler, Felix 2019. Design principles for efficient singlet fission in anthracene-based organic semiconductors. Presented at: SPIE Nanoscience + Engineering 2019, San Diego, CA, USA, 11-15 August 2019. Published in: Nielsen, Christine, Congreve, Daniel, Bronstein, Hugo A. and Deschler, Felix eds. Proceedings Volume 11084, Physical Chemistry of Semiconductor Materials and Interfaces XVIII. Society of Photo-Optical Instrumentation Engineers, p. 24. 10.1117/12.2527346

Bahili, Mohammed A., Stokes, Emily C., Amesbury, Robert C., Ould, Darren M. C., Christo, Bashar, Horne, Rhian, Kariuki, Benson M.

, Stewart, Jack A., Taylor, Rebekah L., Williams, Andrew, Jones, Matthew D., Harris, Kenneth D. M.

2019. Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere. Chemical Communications 55 (53) , pp. 7679-7682. 10.1039/C9CC03339D

Bahruji, Hasliza, Bowker, Michael

and Davies, Philip R

2019. Influence of TiO2 structural structural properties on photocatalytic hydrogen gas production. Journal of Chemical Sciences 131 (4) , -. 10.1007/s12039-019-1608-7

Ballard, Andrew, Narduolo, Stefania, Ahmad, Hiwa O., Cosgrove, David A., Leach, Andrew G. and Buurma, Niklaas J.

2019. The problem of racemization in drug discovery and tools to predict it. Expert Opinion on Drug Discovery 14 (6) , pp. 527-539. 10.1080/17460441.2019.1588881

Ballard, Andrew, Narduolo, Stefania, Ahmad, Hiwa O., Keymer, Nathaniel I, Asaad, Nabil, Cosgrove, David A., Buurma, Niklaas J.

and Leach, Andrew G 2019. Racemisation in chemistry and biology. Chemistry - A European Journal 10.1002/chem.201903917

Bezzu, C. Grazia, Burt, Luke A., McMonagle, Charlie J., Moggach, Stephen A., Kariuki, Benson M.

, Allan, David R., Warren, Mark and McKeown, Neil B. 2019. Highly stable fullerene-based porous molecular crystals with open metal sites. Nature Materials 18 , pp. 740-745. 10.1038/s41563-019-0361-0

Biot, Nicolas 2019. Framing the chalcogen-bonding interaction in the supramolecular toolbox for solid-state applications. PhD Thesis, Cardiff University.

Item availability restricted.

Bland, Henry A., Thomas, Evan L. H., Klemencic, Georgina M.

, Mandal, Soumen

, Papageorgiou, Andreas, Jones, Tyrone G. and Williams, Oliver A.

2019. Superconducting diamond on silicon nitride for device applications. Scientific Reports 9 , 2911. 10.1038/s41598-019-39707-z

Botha, Louise M., Santos-Carballal, David, Terranova, Umberto, Quesne, Matthew G., Ungerer, Marietjie J., van Sittert, Cornelia G. C. E. and De Leeuw, Nora H.

2019. Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances 9 (30) , pp. 16948-16954. 10.1039/C9RA02320H

Botti, Luca, Navar, Ricardo, Tolborg, Søren, Martinez-Espin, Juan S., Padovan, Daniele, Taarning, Esben and Hammond, Ceri

2019. Influence of composition and preparation method on the continuous performance of Sn-Beta for glucose-fructose isomerisation. Topics in Catalysis 62 (17-20) , pp. 1178-1191. 10.1007/s11244-018-1078-z

Bowker, Michael

, Grillo, Federico and Archard, Daniel 2019. CO and O2 adsorption on K/Pt(111). Journal of Physical Chemistry C 123 (13) , pp. 8198-8205. 10.1021/acs.jpcc.8b08461

Bowker, Michael

2019. Methanol synthesis from CO2 hydrogenation. ChemCatChem 11 (17) , pp. 4238-4246. 10.1002/cctc.201900401

Boyle, Aimee L., Rabe, Martin, Crone, Niek S. A., Rhys, Guto G., Soler, Nicolas, Voskamp, Patrick, Pannu, Navraj S. and Kros, Alexander 2019. Selective coordination of three transition metal ions within a coiled-coil peptide scaffold. Chemical Science 10 (31) , pp. 7456-7465. 10.1039/C9SC01165J

Buckeridge, J., Veal, T.D., Catlow, C. R. A.

and Scanlon, D. O. 2019. Intrinsic point defects and the n- and p-type dopability of the narrow gap semiconductors GaSb and InSb. Physical Review B 100 (3) 10.1103/PhysRevB.100.035207

Buettner, Cornelia S., Willcox, Darren, Chappell, Ben G. N. and Gaunt, Matthew J. 2019. Mechanistic investigation into the C(sp3)–H acetoxylation of morpholinones. Chemical Science 10 (1) , pp. 83-89. 10.1039/C8SC03434F

Caiti, Massimiliano, Padovan, Daniele and Hammond, Ceri

2019. Continuous production of hydrogen from formic acid decomposition over heterogeneous nanoparticle catalysts: from batch to continuous flow. ACS Catalysis 9 (10) , pp. 9188-9198. 10.1021/acscatal.9b01977

Campisi, Sebastiano, Ferri, Michele, Chan-Thaw, Carine, Sanchez Trujillo, Felipe, Motta, Davide, Tabanelli, Tommaso, Dimitratos, Nikolaos

and Villa, Alberto 2019. Metal-support cooperative effects in Au/VPO for the aerobic oxidation of benzyl alcohol to benzyl benzoate. Nanomaterials 9 (2) , 299. 10.3390/nano9020299

Cao, Qun

, Nicholson, William I., Jones, Andrew C. and Browne, Duncan L.

2019. Robust Buchwald-Hartwig amination enabled by ball-milling. Organic and Biomolecular Chemistry 17 (7) , pp. 1722-1726. 10.1039/C8OB01781F

Cao, Qun

, Stark, Roderick, Fallis, Ian

and Browne, Duncan L.

2019. A ball-milling enabled Reformatsky reaction. ChemSusChem 12 (12) , pp. 2554-2557. 10.1002/cssc.201900886

Cao, Wenxiu, Lin, Lu, Qi, Haifeng, He, Qian

, Wu, Zhijie, Wang, Aiqin, Luo, Wenhao and Zhang, Tao 2019. In-situ synthesis of single-atom Ir by utilizing metal-organic frameworks: An acid-resistant catalyst for hydrogenation of levulinic acid to γ-valerolactone. Journal of Catalysis 373 , pp. 161-172. 10.1016/j.jcat.2019.03.035

Capelli, Sofia, Motta, Davide, Evangelisti, Claudio, Dimitratos, Nikolaos

, Prati, Laura, Pirola, Carlo and Villa, Alberto 2019. Bio adipic acid production from sodium muconate and muconic acid: a comparison of two systems. ChemCatChem 11 (13) , pp. 3075-3084. 10.1002/cctc.201900343

Carden, Jamie, Gierlichs, Lukas, Wass, Duncan

, Browne, Duncan

and Melen, Rebecca

2019. Unlocking the catalytic potential of tris(3,4,5-trifluorophenyl)borane with microwave irradiation. Chemical Communications 55 (3) , pp. 318-321. 10.1039/C8CC09459D

Carloni, Laure-Elie, Bezzu, C. Grazia and Bonifazi, Davide

2019. Patterning porous networks through self-assembly of programmed biomacromolecules. Chemistry - A European Journal 25 (71) , pp. 16179-16200. 10.1002/chem.201902576

Carloni, Laure-Elie, Mohnani, Stefan and Bonifazi, Davide

2019. Synthesis of 3,5-disubstituted isoxazoles through a 1,3-dipolar cycloaddition reaction between alkynes and nitrile oxides generated from O-silylated hydroxamic acids. European Journal of Organic Chemistry 2019 (44) , pp. 7322-7334. 10.1002/ejoc.201901045

Carter, James H., Shah, Parag M., Nowicka, Ewa

, Freakley, Simon J., Morgan, David

, Golunski, Stan and Hutchings, Graham J.

2019. Enhanced activity and stability of Gold/Ceria-Titania for the low-temperature water-gas shift reaction. Frontiers in Chemistry 7 , 443. 10.3389/fchem.2019.00443

Casini, Angela

and Crowley, James D. 2019. Editorial: supramolecular metal-based entities for biomedical and biological applications. Frontiers in Chemistry 7 , -. 10.3389/fchem.2019.00293

Catlow, C. Richard A.

2019. Computational and materials structural science. IUCrJ 6 (4) , pp. 501-502. 10.1107/S2052252519009114

Cattaneo, Stefano, Althahban, Sultan, Freakley, Simon, Meenakshisundaram, Sankar

, Davies, Thomas, He, Qian

, Dimitratos, Nikolaos

, Kiely, Christopher

2019. Synthesis of highly uniform and composition-controlled gold-palladium supported nanoparticles in continuous flow. Nanoscale 17 , pp. 8247-8259. 10.1039/C8NR09917K

Cattaneo, Stefano, Sanchez Trujillo, Felipe J., Dimitratos, Nikolaos and Villa, Alberto 2019. The effect of carbon nanofibers surface properties in hydrogenation and dehydrogenation reactions. Applied Sciences 9 (23) , 5061. 10.3390/app9235061

Chachvalvutikul, Auttaphon, Jakmunee, Jaroon, Thongtem, Somchai, Kittiwachana, Sila and Kaowphong, Sulawan 2019. Novel FeVO4/Bi7O9I3 nanocomposite with enhanced photocatalytic dye degradation and photoelectrochemical properties. Applied Surface Science 475 , pp. 175-184. 10.1016/j.apsusc.2018.12.214

Chachvalvutikul, Auttaphon, Pudkon, Watcharapong, Luangwanta, Tawanwit, Thongtem, Titipun, Thongtem, Somchai, Kittiwachana, Sila and Kaowphong, Sulawan 2019. Enhanced photocatalytic degradation of methylene blue by a direct Z-scheme Bi2S3/ZnIn2S4 photocatalyst. Materials Research Bulletin 111 , pp. 53-60. 10.1016/j.materresbull.2018.10.034

Chaffey, Dawn R., Alamillo-Ferrer, Carla, Davies, Thomas E., Taylor, Stuart H.

, Tomkinson, Nicholas C. O. and Graham, Andrew E. 2019. Metal triflate-promoted allylic substitution reactions of cinnamyl alcohol in the presence of orthoesters and acetals. ACS Omega 4 , pp. 15985-15991. 10.1021/acsomega.9b02059

Chaubey, Mukesh Ghanshyam, Patel, Stuti Nareshkumar, Rastogi, Rajesh Prasad, Srivastava, Prabhakar Lal

, Singh, Arun Kumar, Madamwar, Datta and Singh, Niraj Kumar 2019. Therapeutic potential of cyanobacterial pigment protein phycoerythrin: in silico and in vitro study of BACE1 interaction and in vivo Aβ reduction. International Journal of Biological Macromolecules 134 , pp. 368-378. 10.1016/j.ijbiomac.2019.05.006

Chen, Chunhui, Wu, Li, Perdjon, Michal

, Huang, Xiaoyang and Peng, Yaxiong 2019. The drying effect on xanthan gum biopolymer treated sandy soil shear strength. Construction and Building Materials 197 , pp. 271-279. 10.1016/j.conbuildmat.2018.11.120

Chen, Huanhao, Mu, Yibing, Shao, Yan, Chansai, Sarayute, Xu, Shaojun, Stere, Cristina E., Xiang, Huan, Zhang, Rongxin, Jiao, Yilai, Hardacre, Christopher and Fan, Xiaolei 2019. Coupling non-thermal plasma with Ni catalysts supported on BETA zeolite for catalytic CO2 methanation. Catalysis Science and Technology 9 (15) , pp. 4135-4145. 10.1039/C9CY00590K

Chiangraeng, Natthiti, Chachvalvutikul, Auttaphon, Choklap, Wimonnat, Kaowphong, Sulawan and Nimmanpipug, Piyarat 2019. Synthesis of BiVO4 photocatalyst via cyclic microwave irradiation method. Presented at: 5th Southeast Asia Conference of Thermoelectrics (SACT 2018), Siem Reap, Cambodia, 14-17 December 2018. Ferroelectrics. , vol.552 (1) Taylor & Francis: STM, Behavioural Science and Public Health Titles, pp. 42-52. 10.1080/00150193.2019.1653081

Choudhuri, Khokan, Pramanik, Milan and Mal, Prasenjit 2019. λ3-Iodanes as visible light photocatalyst in thioacetalization of aldehydes. European Journal of Organic Chemistry 2019 (30) , pp. 4822-4826. 10.1002/ejoc.201900753

Christensen, Kirsten, Williams, P. Andrew, Patterson, Rhian, Palmer, Benjamin A., Couzi, Michel, Guillaume, François and Harris, Kenneth D. M.

2019. Reply to comment on Couzi et al. (2018): a phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 6 (8) , 190518. 10.1098/rsos.190518

Collier, Thomas A., Nash, Anthony, Birch, Helen L. and De Leeuw, Nora

2019. Relative orientation of collagen molecules within a fibril: a homology model for homo sapiens type I collagen. Journal of Biomolecular Structure and Dynamics 37 (2) , pp. 537-549. 10.1080/07391102.2018.1433553

Comesaña-Gándara, Bibiana, Chen, Jie, Bezzu, C. Grazia, Carta, Mariolino

, Rose, Ian, Ferrari, Maria-Chiara, Esposito, Elisa, Fuoco, Alessio, Jansen, Johannes C. and McKeown, Neil B. 2019. Redefining the Robeson upper bounds for CO2/CH4 and CO2/N2 separations using a series of ultrapermeable benzotriptycene-based polymers of intrinsic microporosity. Energy and Environmental Science 12 (9) , pp. 2733-2740. 10.1039/C9EE01384A

Cooper, Bridgette, Tudorovskaya, Maria, Mohr, Sebastian, O'Hare, Aran, Hanicinec, Martin, Dzarasova, Anna, Gorfinkiel, Jimena D., Benda, Jakub, Masín, Zdenek, Al-Refaie, Ahmed F., Knowles, Peter J.

and Tennyson, Jonathan 2019. Quantemol Electron Collisions (QEC): An enhanced expert system for performing electron molecule collision calculations using the R-matrix method. Atoms 7 (4) , 97. 10.3390/atoms7040097

Craco, L., Carara, S. S. and Leoni, S.

2019. Electronic structure of BiFeO3 in the presence of strong electronic correlations. Physical Review B 99 (4) , -. 10.1103/PhysRevB.99.045112

Craco, L. and Leoni, S.

2019. Theory of two-fluid metallicity in superconducting FeSe at high pressure. Physical Review B 100 (12) , -. 10.1103/PhysRevB.100.121101

Craco, L. and Leoni, S.

2019. LDA+DMFT approach to electronic structure of sodium metal. Physical Review B 100 (11) , 115156. 10.1103/PhysRevB.100.115156

Cresser-Brown, Joel 2019. Structural insight into the development of novel allosteric Calpain-1 inhibitors. PhD Thesis, Cardiff University.

Item availability restricted.

Cruz Samperio, Raquel 2019. Selective photoactivation of proteins in mammalian cells for research and therapy. PhD Thesis, Cardiff University.

Item availability restricted.

Dai, Xiaoxia, Wang, Xinwei, Long, Yunpeng, Pattisson, Samuel, Lu, Yunhao, Morgan, David John

, Carter, James H., Hutchings, Graham J.

, Wu, Zhongbiao and Weng, Xiaole 2019. Efficient elimination of chlorinated organics on a phosphoric acid modified CeO2 catalyst: a hydrolytic destruction route. Environmental Science and Technology 53 (21) , pp. 12697-12705. 10.1021/acs.est.9b05088

Dambatta, Mubarak, Polidano, Kurt, Northey, Alexander D., Williams, Jonathan M. J. and Morrill, Louis C.

2019. Iron‐catalyzed borrowing hydrogen C‐Alkylation of oxindoles with alcohols. ChemSusChem 12 (11) , pp. 2345-2349. 10.1002/cssc.201900799

Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A.

, Collier, Paul, Chutia, Arunabhiram, Erden, Tugce Eralp, Hardacre, Christopher, Kroner, Anna, Nachtegaal, Maarten, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D., Goguet, Alexandre and Wells, Peter P. 2019. Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis 2 , pp. 157-163. 10.1038/s41929-018-0213-3

Dann, Ellie K., Gibson, Emma K., Catlow, C. Richard A.

, Celorrio, Veronica, Collier, Paul, Eralp, Tugce, Amboage, Monica, Hardacre, Christopher, Stere, Cristina, Kroner, Anna, Raj, Agnes, Rogers, Scott, Goguet, Alexandre and Wells, Peter P. 2019. Combined spatially resolved operando spectroscopy: new insights into kinetic oscillations of CO oxidation on Pd/γ-Al2O3. Journal of Catalysis 373 , pp. 201-208. 10.1016/j.jcat.2019.03.037

Das, Trisha, Chatterjee, Rana, Majee, Adinath, Uyama, Hiroshi, Morgan, David

and Nandi, Mahasweta 2019. In situ synthesis of CuO nanoparticles over functionalized mesoporous silica and their application in catalytic syntheses of symmetrical diselenides. Dalton Transactions 48 , pp. 17874-17886. 10.1039/C9DT03418H

Davis, Dita, Carrod, Andrew J., Guo, Zhilin, Kariuki, Benson M.

, Zhang, Yuan-Zhu and Pikramenou, Zoe 2019. Imidodiphosphonate ligands for enhanced sensitization and shielding of visible and near-infrared lanthanides. Inorganic Chemistry 58 (19) , pp. 13268-13275. 10.1021/acs.inorgchem.9b02090

Dawson, Simon Rhys 2019. Acetylene hydrochlorination using gold catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Dawson, William M., Rhys, Guto G. and Woolfson, Derek N. 2019. Towards functional de novo designed proteins. Current Opinion in Chemical Biology 52 , pp. 102-111. 10.1016/j.cbpa.2019.06.011

Day, Adam H., Adams, Samuel J., Gines, Laia

, Williams, Oliver A., Johnson, Benjamin R. G., Fallis, Ian A.

, Loveridge, E. Joel, Bahra, Gurmit S., Oyston, Petra C. F., Herrera, Juan Manuel and Pope, Simon J. A.

2019. Synthetic routes, characterization and photophysical properties of luminescent, surface functionalized nanodiamonds. Carbon 152 , pp. 335-343. 10.1016/j.carbon.2019.05.081

Day, Adam 2019. Fluorescent nanodiamonds: bioengineered functional materials. PhD Thesis, Cardiff University.

Item availability restricted.

Delarmelina, Maicon

, Nicoletti, Caroline D., deMoraes, Marcela C., Futuro, Debora O., Bühl, Michael, de C. da Silva, Fernando, Ferreira, Vitor F. and de M.Carneiro, José W. 2019. α‐ and β‐ Lapachone isomerization in acidic media: Insights from experimental and implicit/explicit solvation approaches. ChemPlusChem 84 (1) , pp. 52-61. 10.1002/cplu.201800485

Demiray, Melodi, Miller, David J and Allemann, Rudolf K

2019. Harnessing enzyme plasticity for the synthesis of oxygenated sesquiterpenoids. Beilstein Journal of Organic Chemistry 15 , pp. 2184-2190. 10.3762/bjoc.15.215

Di Michele, Alessandro, Dell'Angelo, Anna, Tripodi, Antonio, Bahadori, Elnaz, Sanchez Trujillo, Felipe Juan, Motta, Davide, Dimitratos, Nikolaos

, Rossetti, Ilenia and Ramis, Gianguido 2019. Steam reforming of ethanol over Ni/MgAl2O4 catalysts. International Journal of Hydrogen Energy 44 (2) , pp. 952-964. 10.1016/j.ijhydene.2018.11.048

Dordevic, Luka, Marangoni, Tomas, Liu, Mingjie, De Zorzi, Rita, Geremia, Silvano, Minoia, Andrea, Lazzaroni, Roberto, Ishida, Yasuhiro and Bonifazi, Davide

2019. Templating porphyrin anisotropy via magnetically aligned carbon nanotubes. ChemPlusChem 84 (9) , pp. 1270-1278. 10.1002/cplu.201800623

Dosso, Jacopo

, Marinelli, Davide, Demitri, Nicola and Bonifazi, Davide

2019. Structural properties of highly doped borazino polyphenylenes obtained through condensation reaction. ACS Omega 4 (5) , pp. 9343-9351. 10.1021/acsomega.9b00830

Edwards, Lee

, Mack, Paul and Morgan, David J.

2019. Recent advances in dual mode charge compensation for XPS analysis. Surface and Interface Analysis 51 (9) , pp. 925-933. 10.1002/sia.6680

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M.

2019. 3-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde. IUCrData 4 (2) 10.1107/S2414314619002177

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M.

2019. 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-8H-indeno[1,2-d]thiazole. IUCrData 4 (2) 10.1107/S2414314619002189

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M.

2019. 4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazole. IUCrData 4 (3) 10.1107/S2414314619003596

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S and Kariuki, Benson M.

2019. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2H-chromen-2-one. IUCrData 4 (2) 10.1107/S2414314619001706

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. N′-[5-Acetyl-3-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide dimethylformamide monosolvate. IUCrData 4 (1) 10.1107/S2414314619001482

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. 1-(4-Fluorophenyl)-5-methyl-N?-{1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 4 (2) 10.1107/S241431461900261X

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. 2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)thiazole. IUCrData 4 (2) 10.1107/S2414314619002402

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. N'-[5-Acetyl-3-(4-bromophenyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide dimethylformamide monosolvate. IUCrData 4 (2) 10.1107/S2414314619002487

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Hayal Alotaibi, Mohammad, Hegazy, Amany S. and Kariuki, Benson M.

2019. 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine. IUCrData 4 (1) , x190136. 10.1107/S2414314619001366

El-Hiti, Gamal A, Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methylthiazole. IUCrData 4 (2) , -. 10.1107/S2414314619002116

El-Mellouhi, Fedwa, Rashkeev, Sergey N., Marzouk, Asma, Kabalan, Lara, Belaidi, Abdelhak, Merzougui, Belabbes, Tabet, Nouar and Alharbi, Fahhad H. 2019. Intrinsic stability enhancement and ionic migration reduction by fluorinated cations incorporated in hybrid lead halide perovskites. Journal of Materials Chemistry. C 7 (18) , pp. 5299-5306. 10.1039/C8TC06308G

Elsherbini, Mohamed, Allemann, Rudolf K.

and Wirth, Thomas

2019. 'Dark' singlet oxygen made easy. Chemistry - A European Journal 25 (54) , pp. 12486-12490. 10.1002/chem.201903505

Elsherbini, Mohamed, Winterson, Bethan, Alharbi, Haifa, Folgueiras Amador, Ana A., Genot, Célina and Wirth, Thomas

2019. Continuous electrochemical generator of hypervalent iodine reagents: synthetic applications in flow. Angewandte Chemie International Edition 58 (29) , pp. 9811-9815. 10.1002/anie.201904379

Elsherbini, Mohamed and Wirth, Thomas

2019. Electroorganic synthesis under flow conditions. Accounts of Chemical Research 52 (12) , pp. 3287-3296. 10.1021/acs.accounts.9b00497

Engel, Rebecca V., Alsaiari, Raiedhah, Nowicka, Ewa

, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J.

2019. Solvent-free aerobic epoxidation of 1-decene using supported cobalt catalysts. Catalysis Today 333 , pp. 154-160. 10.1016/j.cattod.2018.09.005

Engel, Julien

, Francis, Samantha and Roldan Martinez, Alberto

2019. The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT study. Physical Chemistry Chemical Physics (35) , pp. 19011-19025. 10.1039/C9CP03066B

Espinal-Viguri, Maialen, Neale, Samuel E., Coles, Nathan T.

, Macgregor, Stuart A. and Webster, Ruth L. 2019. Room temperature iron-catalyzed transfer hydrogenation and regioselective deuteration of carbon–carbon double bonds. Journal of the American Chemical Society 141 (1) , 572–582. 10.1021/jacs.8b11553

Estrada-Ortiz, Natalia, Lopez-Gonzales, Elena, Woods, Ben, Stürup, Stefan, de Graaf, Inge A. M., Groothuis, Geny M. M. and Casini, Angela

2019. Ex vivo toxicological evaluation of experimental anticancer gold(I) complexes with lansoprazole-type ligands. Toxicology Research 8 (6) , pp. 885-895. 10.1039/C9TX00149B

Evans, Kieren J.

, Campbell, Cameron L., Haddow, Mairi F., Luz, Christian, Morton, Paul A. and Mansell, Stephen M. 2019. Lithium complexes with bridging and terminal NHC ligands: the decisive influence of an anionic tether. European Journal of Inorganic Chemistry 2019 (46) , pp. 4894-4901. 10.1002/ejic.201901003

Evans, Kieren J.

and Mansell, Stephen M. 2019. Synergic deprotonation generates alkali-metal salts of tethered fluorenide-NHC ligands co-complexed to alkali-metal amides. Chemistry - A European Journal 25 (15) , pp. 3766-3769. 10.1002/chem.201806278

Evans, Kieren J.

, Potrykus, Ben and Mansell, Stephen M. 2019. On the reactivity of N-tert-butyl-1,2-diaminoethane: synthesis of 1-tert-butyl-2-imidazoline, formation of an intramolecular carbamate salt from the reaction with CO2, and generation of a hydroxyalkyl-substituted imidazolinium salt. Heteroatom Chemistry 2019 , 1094173. 10.1155/2019/1094173

Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Stishenko, Pavel V. and Myshlyavtsev, Alexander V. 2019. Model of Fe-Terephthalate ordering on Cu(100). Journal of Physical Chemistry C 123 (28) , 17265–17272. 10.1021/acs.jpcc.9b02834

Fang, L., Yan, Z., Vits, K., Southward, B. and Pera-Titus, M. 2019. Nanoceria-promoted low Pd–Ni catalyst for the synthesis of secondary amines from aliphatic alcohols and ammonia. Catalysis Science and Technology 9 (5) , pp. 1215-1230. 10.1039/C8CY01670D

Fang, Huihuang, Roldan Martinez, Alberto

, Tian, Chenchen, Zheng, Yanping, Duan, Xinping, Chen, Kun, Ye, Linmin, Leoni, Stefano

and Yuan, Youzhu 2019. Structural tuning and catalysis of tungsten carbides for the regioselective cleavage of C-O bonds. Journal of Catalysis 369 , pp. 283-295. 10.1016/j.jcat.2018.11.020

Farkas, Barbara, Santos Carballal, David

, Cadi Essadek, Abdelaziz and De Leeuw, Nora H.

2019. A DFT+U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications. Materialia 7 , p. 100381. 10.1016/j.mtla.2019.100381

Faulkner, Christopher, Plant, David F. and de Leeuw, Nora H.

2019. Modulation of the gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study. Biochemistry 58 (48) , pp. 4804-4808. 10.1021/acs.biochem.9b00881

Fermi, Andrea and Bonifazi, Davide

2019. Tailoring the photoredox properties of organic dyes. Photochemistry: Volume 47, Vol. 47. Royal Society of Chemistry, pp. 293-325. (10.1039/9781788016520-00293)

Fioco, David

, Belli Dell'Amico, Daniela, Labella, Luca, Marchetti, Fabio and Samaritani, Simona 2019. A sound sequence to triphenylphosphino dibromoplatinum(II) complexes – solvothermal preparation of trans-[PtBr(µ‐Br)(PPh3)]2. European Journal of Inorganic Chemistry 2019 (36) , pp. 3970-3974. 10.1002/ejic.201900711

Fletcher-Charles, Jack 2019. Synthesis of electrochromic oxygen-doped polycyclic aromatic hydrocarbons. MPhil Thesis, Cardiff University.

Item availability restricted.

Flodén, Nils J., Trowbridge, Aaron, Willcox, Darren, Walton, Scarlett M., Kim, Yongjoon and Gaunt, Matthew J. 2019. Streamlined synthesis of C(sp3)-Rich N-Heterospirocycles enabled by visible-light-mediated photocatalysis. Journal of the American Chemical Society 141 (21) , pp. 8426-8430. 10.1021/jacs.9b03372

Folgueiras Amador, Ana and Wirth, Thomas

2019. Electrochemistry under flow conditions. Luis, Santiago V. and Garcia-Verdugo, Eduardo, eds. Flow Chemistry: Integrated Approaches for Practical Applications, Green Chemistry Series, Royal Society of Chemistry, pp. 153-198. (10.1039/9781788016094-00153)

Freakley, Simon J., Kochius, Svenja, van Marwijk, Jacqueline, Fenner, Caryn, Lewis, Richard J., Baldenius, Kai, Marais, Sarel S., Opperman, Diederik J., Harrison, Susan T. L., Alcalde, Miguel, Smit, Martha S. and Hutchings, Graham J.

2019. A chemo-enzymatic oxidation cascade to activate C-H bonds with in situ generated H2O2. Nature Communications 10 (1) , 4178. 10.1038/s41467-019-12120-w

Galaverna, Renan, McBride, Tom, Pastre, Julio C. and Browne, Duncan L.

2019. Exploring the generation and use of acylketenes with continuous flow processes. Reaction Chemistry and Engineering 4 (9) , pp. 1559-1564. 10.1039/C9RE00072K

Gambu, Thobani G., Terranova, Umberto, Santos Carballal, David

, Petersen, Melissa A., Jones, Glenn, van Steen, Eric and de Leeuw, Nora H.

2019. Thermal properties and segregation behavior of Pt Nanowires modified with Au, Ag, and Pd Atoms: a classical molecular dynamics study. Journal of Physical Chemistry C 123 (33) , -. 10.1021/acs.jpcc.9b02730

Gao, Sisi, Liu, Huanting, de Crécy-Lagard, Valérie, Zhu, Wen, Richards, Nigel G. J.

and Naismith, James H. 2019. PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chemical Communications 55 (96) , pp. 14502-14505. 10.1039/C9CC06975E

García, Tomás, López, José M., Solsona, Benjamín, Sanchis, Rut, Willock, David J.

, Davies, Thomas E., Lu, Li, He, Qian

, Kiely, Christopher J.

2019. The key role of nanocasting in gold-based Fe2 O3 nanocasted catalysts for oxygen activation at the metal-support interface. ChemCatChem 11 (7) , pp. 1915-1927. 10.1002/cctc.201900210

Garcia-Meseguer, Rafael and Carpenter, Barry K.

2019. Re-evaluating the transition state for reactions in solution. European Journal of Organic Chemistry 2019 (2-3) , pp. 254-266. 10.1002/ejoc.201800841

Garcia-Mesguer, R., Carpenter, B.K.

and Wiggins, S. 2019. The influence of the solvent's mass on the location of the dividing surface for a model Hamiltonian. Chemical Physics Letters: X , 100030. 10.1016/j.cpletx.2019.100030

Gazis, Theodore A., Dasgupta, Ayan, Hill, Michael S., Rawson, Jeremy M., Wirth, Thomas

2019. Reactions of hydrazones and hydrazides with Lewis acidic boranes. Dalton Transactions (33) , pp. 12391-12395. 10.1039/C9DT01359H

Gionco, Chiara, Hernández, Simelys, Castellino, Micaela, Gadhi, Tanveer Ahmed, Muñoz-Tabares, José Alejandro, Cerrato, Erik, Tagliaferro, Alberto, Russo, Nunzio and Paganini, Maria Cristina 2019. Synthesis and characterization of Ce and Er doped ZrO2 nanoparticles as solar light driven photocatalysts. Journal of Alloys and Compounds 775 , pp. 896-904. 10.1016/j.jallcom.2018.10.046

Gonçalves, Nuno P.F., Paganini, Maria Cristina, Armillotta, Paolo, Cerrato, Erik and Calza, Paola 2019. The effect of cobalt doping on the efficiency of semiconductor oxides in the photocatalytic water remediation. Journal of Environmental Chemical Engineering 7 (6) , 103475. 10.1016/j.jece.2019.103475

Gonzaga de Oliveira, Luciana, Sigrist, Renata, Sachetto Paulo, Bruno, Samborskyy, Markyian and Stajich, Jason E. 2019. Whole-genome sequence of the endophytic Streptomyces sp. strain CBMAI 2042, isolated from Citrus sinensis. Microbiology Resource Announcements 8 (2) , e01426-18. 10.1128/MRA.01426-18

Gonzalez Requena, Victor 2019. A combinatorial toolbox to explore the usage of sesquiterpene synthases: structure - function studies, substrate promiscuity and directed evolution. PhD Thesis, Cardiff University.

Item availability restricted.

Grazziotin-Soares, Renata, Nekoofar, Mohammad, Davies, Thomas, Hübler, Roberto, Meraji, Naghmeh and Dummer, Paul

2019. Crystalline phases involved in the hydration of calcium silicate-based cements: Semi-quantitative Rietveld X-ray diffraction analysis. Australian Endodontic Journal 45 (1) , pp. 26-32. 10.1111/aej.12226

Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew, Catlow, Charles Richard A.

, Jacquemin, Johan and Hardacre, Christopher 2019. Investigating the effect of NO on the capture of CO2 using superbase ionic liquids for flue gas applications. ACS Sustainable Chemistry and Engineering 7 (3) , pp. 3567-3574. 10.1021/acssuschemeng.8b05870

Gritsenko, Oleg V., Wang, Jian and Knowles, Peter J.

2019. Symmetry dependence and universality of practical algebraic functionals in density-matrix-functional theory. Physical Review A 99 (4) , -. 10.1103/PhysRevA.99.042516

Groves, Lara M., Williams, Catrin F.

, Hayes, Anthony J., Ward, Benjamin D.

, Isaacs, Marc D., Symonds, Nadine O., Lloyd, David

, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A.

2019. Fluorescent functionalised naphthalimides and their Au(i)–NHC complexes for potential use in cellular bioimaging. Dalton Transactions 48 (5) , pp. 1599-1612. 10.1039/C8DT04069A

Gu, Q., Fang, W.-H., Wischert, R., Zhou, W-J., Michel, C. and Pera-Titus, M. 2019. AuCu/CeO2 bimetallic catalysts for the selective oxidation of fatty alcohol ethoxylates to alkyl ether carboxylic acids. Journal of Catalysis 380 , pp. 132-144. 10.1016/j.jcat.2019.10.017

Guadix Montero, Susana 2019. Catalytic conversion of biomass. PhD Thesis, Cardiff University.

Item availability restricted.

Hamilton, Hugh B., King, Ashley M., Sparkes, Hazel A., Pridmore, Natalie E. and Wass, Duncan

2019. Zirconium−nitrogen intermolecular frustrated Lewis pairs. Inorganic Chemistry 58 (9) , pp. 6399-6409. 10.1021/acs.inorgchem.9b00569

Han, Jiaying, Permentier, Hjalmar, Bischoff, Rainer, Groothuis, Geny, Casini, Angela

and Horvatovich, Péter 2019. Imaging of protein distribution in tissues using mass spectrometry: An interdisciplinary challenge. Trends in Analytical Chemistry 112 , pp. 13-28. 10.1016/j.trac.2018.12.016

Hare, Stephanie R., Bratholm, Lars A., Glowacki, David R. and Carpenter, Barry K.

2019. Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices. Chemical Science 10 (43) , pp. 9954-9968. 10.1039/C9SC02742D

Hasnain, S. Samar and Catlow, C. Richard A.

2019. Synchrotron science in the UK: NINA, the SRS and Diamond. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 377 (2147) , 20190147. 10.1098/rsta.2019.0147

Hassanain, Hawazen, Davies, E. Stephen, Lewis, William, Kays, Deborah L.

and Champness, Neil R. 2019. Structural characterization and optical properties of two copper(i)-iodide BODIPY coordination polymers. CrystEngComm 21 (31) , pp. 4551-4556. 10.1039/C9CE00845D

Hassemer, Marla J., Borges, Miguel, Withall, David M., Pickett, John

, Laumann, Raul A., Birkett, Michael A. and Blassioli-Moraes, Maria C. 2019. Development of pull and push–pull systems for management of lesser mealworm, Alphitobius diaperinus, in poultry houses using alarm and aggregation pheromones. Pest management Science 75 (4) , pp. 1107-1114. 10.1002/ps.5225

Hatcher, Lauren E.

, Skelton, Jonathan M., Warren, Mark R and Raithby, Paul R. 2019. Photocrystallographic studies on transition metal nitrito metastable linkage isomers: manipulating the metastable state. Accounts of Chemical Research 52 (4) 10.1021/acs.accounts.9b00018

He, Chi, Cheng, Jie, Zhang, Xin, Douthwaite, Mark, Pattisson, Samuel and Hao, Zhengping 2019. Recent advances in the catalytic oxidation of volatile organic compounds: a review based on pollutant sorts and sources. Chemical Reviews 119 (7) , pp. 4471-4568. 10.1021/acs.chemrev.8b00408

Hellier, Pip 2019. Segregation and reactivity in bi-cationic oxide catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Hellier, Pip, Wells, Peter P and Bowker, Michael

2019. Methanol oxidation over shell-core MOx/Fe2O3 (M = Mo, V, Nb) catalysts. Chinese Journal of Catalysis 40 (11) , pp. 1686-1692. 10.1016/S1872-2067(19)63350-4

Hernandez Tamargo, Carlos, O'Malley, Alexander, Silverwood, Ian P. and de Leeuw, Nora H.

2019. Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study. Catalysis Science and Technology 9 (23) , pp. 6700-6713. 10.1039/C9CY01548E

Hernandez Tamargo, Carlos, Roldan Martinez, Alberto

2019. Tautomerization of phenol at the external lewis acid sites of scandium-, iron- and gallium-substituted zeolite MFI. Journal of Physical Chemistry C 123 (13) , 7604. 10.1021/acs.jpcc.8b02455

Hill, Michael S., Mahon, Mary F., Wilson, Andrew S. S., Dinoi, Chiara, Maron, Laurent and Richards, Emma

2019. Reduction of 1,3,5,7-cyclooctatetraene by a molecular calcium hydride: an even electron polarised insertion/deprotonation mechanism. Chemical Communications 55 (40) , pp. 5732-5735. 10.1039/C9CC02418B

Hill, Stephen, Sheikh, Sadiyah, Zhang, Qiaoyu, Sueiro Ballesteros, Lorena, Herman, Andrew, Davis, Sean A, Morgan, David John

, Berry, Monica, Benito-Alifonso, David and Galan, M. Carmen 2019. Selective photothermal killing of cancer cells using LED-activated nucleus targeting fluorescent carbon dots. Nanoscale Advances 1 (8) , pp. 2840-2846. 10.1039/C9NA00293F

Hirayama, Jun, Orlowski, Igor, Iqbal, Sarwat, Douthwaite, Mark, Ishikawa, Satoshi, Miedziak, Peter J., Bartley, Jonathan K.

, He, Qian

, Jenkins, Robert L., Murayama, Toru, Reece, Christian, Ueda, Wataru, Willock, David J.

2019. The effects of dopants on the Cu-ZrO2 catalysed hydrogenation of levulinic acid. Journal of Physical Chemistry C 123 (13) , pp. 7879-7888. 10.1021/acs.jpcc.8b07108

Hirsch, Anna, Palmer, Benjamin A., Ramasubramaniam, Ashwin, Williams, P. Andrew, Harris, Kenneth D. M.

, Pokroy, Boaz, Weiner, Steve, Addadi, Lia, Leiserowitz, Leslie and Kronik, Leeor 2019. Structure and morphology of light-reflecting synthetic and biogenic polymorphs of isoxanthopterin: A comparison. Chemistry of Materials 31 (12) , pp. 4479-4489. 10.1021/acs.chemmater.9b01039

Hogarth, Graeme, Hollingsworth, Nathan, Islam, Husn, Bras, Wim, De Leeuw, Nora Henriette

, Roffey, Anna and Sankar, Gopinathan 2019. Fe(II) and Fe(III) dithiocarbamate complexes as single source precursors to nanoscale iron sulfides: A combined synthetic and in-situ XAS approach. Nanoscale Advances 1 (8) , pp. 2965-2978. 10.1039/C9NA00262F

Hokamp, Tobias and Wirth, Thomas

2019. Structurally defined α-Tetralol-Based chiral hypervalent iodine reagents. Journal of Organic Chemistry 84 (13) , pp. 8674-8682. 10.1021/acs.joc.9b01315

Howard, Ioli C., Hammond, Ceri

and Buchard, Antoine 2019. Polymer-supported metal catalysts for the heterogeneous polymerisation of lactones. Polymer Chemistry 10 (43) , pp. 5894-5904. 10.1039/C9PY01472A

Howe, Alexander G. R., Maunder, Rhodri, Morgan, David J.

and Edwards, Jennifer K.

2019. Rapid microwave-assisted polyol synthesis of TiO2-supported ruthenium catalysts for levulinic acid hydrogenation. Catalysts 9 (9) , 748. 10.3390/catal9090748

Hughes, Colan E., Walkley, Brant, Gardner, Laura J., Walling, Samuel A., Bernal, Susan A., Iuga, Dinu, Provis, John L. and Harris, Kenneth D.M.

2019. Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement. Solid State Nuclear Magnetic Resonance 99 , -. 10.1016/j.ssnmr.2019.01.003

Humby, Jack D., Benson, Oguarabau, Smith, Gemma L., Argent, Stephen P., da Silva, Ivan, Cheng, Yongqiang, Rudic, Svemir, Manuel, Pascal, Frogley, Mark D., Cinque, Gianfelice, Saunders, Lucy K., Vitorica-Yrzebal, Inigo, Whitehead, George F. S., Easun, Timothy L.

, Lewis, William, Blake, Alexander J., Ramirez-Cuesta, Anibal J., Yang, Sihai and Schroder, Martin 2019. Host-guest selectivity in a series of isoreticular metal-organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions. Chemical Science 10 (4) , pp. 1098-1106. 10.1039/C8SC03622E

Hutchings, Graham John

and Lewis, Richard 2019. A review of recent advances in the direct synthesis of H2O2. ChemCatChem 11 (1) , pp. 298-308. 10.1002/cctc.201801435

Ibáñez, J., Araque-Marin, M., Paul, S. and Pera-Titus, M. 2019. Direct amination of 1-octanol with NH3 over Ag-Co/Al2O3: promoting effect of the H2 pressure on the reaction rate. Chemical Engineering Journal 358 , pp. 1620-1630. 10.1016/j.cej.2018.10.021

Jackman, Eoin 2019. Oxidation catalysts for stain bleaching. PhD Thesis, Cardiff University.

Item availability restricted.

Jayaraman, Arumugam, Powell-Davies, Henry and Fontaine, Frédéric-Georges 2019. Revisiting the reduction of indoles by hydroboranes: A combined experimental and computational study. Tetrahedron 75 (14) , pp. 2118-2127. 10.1016/j.tet.2019.02.048

Jian, Yanfei, Yu, Tingting, Jiang, Zeyu, Yu, Yanke, Douthwaite, Mark, Liu, Jingyin, Albilali, Reem and He, Chi 2019. In-depth understanding of the morphology effect of α-Fe2O3 on catalytic ethane destruction. ACS Applied Materials and Interfaces 11 (12) , pp. 11369-11383. 10.1021/acsami.8b21521

Jiang, Shi, Ma, Changru, Muller, Eric, Pera-Titus, Marc, Jérôme, François and De Oliveira Vigier, Karine 2019. Selective synthesis of THF-derived amines from biomass-derived carbonyl compounds. ACS Catalysis 9 (10) , pp. 8893-8902. 10.1021/acscatal.9b03413

Jiang, Zeyu, Feng, Xiangbo, Deng, Jianlin, He, Chi, Douthwaite, Mark, Yu, Yanke, Liu, Jian, Hao, Zhengping and Zhao, Zhen 2019. Atomic-scale insights into the low-temperature oxidation of methanol over a single-atom Pt1-Co3O4 catalyst. Advanced Functional Materials 29 (31) , 1902041. 10.1002/adfm.201902041

Jones, Corey 2019. Structural control in metal-organic frameworks. PhD Thesis, Cardiff University.

Item availability restricted.

Jones, Wilm, Wells, Peter P., Gibson, Emma K., Chutia, Arunabhiram, Silverwood, Ian P., Catlow, C. Richard A.

2019. Carbidisation of Pd nanoparticles by ethene decomposition, with methane production. ChemCatChem 11 (17) , pp. 4334-4339. 10.1002/cctc.201900795

Jossou, Ericmoore, Malakkal, Linu, Dzade, Nelson

, Claisse, Antoine, Szpunar, Barbara and Szpunar, Jerzy 2019. DFT + U study of the adsorption and dissociation of water on clean, defective, and oxygen-covered U3Si2{001}, {110}, and {111} surfaces. Journal of Physical Chemistry C 123 (32) , pp. 19453-19467. 10.1021/acs.jpcc.9b03076

Jue Bae, Youn, Krzyaniak, Matthew D., Majewski, Marek B., Desroches, Maude, Morin, Jean François, Wu, Yi Lin

and Wasielewski, Michael R. 2019. Competition between singlet fission and spin-orbit-induced intersystem crossing in anthanthrene and anthanthrone derivatives. ChemPlusChem 84 (9) , pp. 1432-1438. 10.1002/cplu.201900410

Kabalan, Lara, Zagho, Moustafa M., Al-Marri, Mohammed J. and Khader, Mahmoud M. 2019. Experimental and theoretical studies on the mechanical and structural changes imposed by the variation of clay loading on poly(vinyl alcohol)/cloisite® 93A nanocomposites. Journal of Vinyl and Additive Technology 25 (2) , pp. 172-181. 10.1002/vnl.21650

Kalvaitis, Mindaugas E., Johnson, Luke A.

, Mart, Robert J.

, Rizkallah, Pierre

2019. A noncanonical chromophore reveals structural rearrangements of the light-oxygen-voltage domain upon photoactivation. Biochemistry 58 (22) , pp. 2608-2616. 10.1021/acs.biochem.9b00255

Kalvaitis, Mindaugas Edvardas 2019. Mechanistic and structural studies of Light-Oxygen- Voltage (LOV) domain proteins. PhD Thesis, Cardiff University.

Item availability restricted.

Kaowphong, Sulawan, Choklap, Wimonnat, Chachvalvutikul, Auttaphon and Chandet, Nopakarn 2019. A novel CuInS2/m-BiVO4 p-n heterojunction photocatalyst with enhanced visible-light photocatalytic activity. Colloids and Surfaces A: Physicochemical and Engineering Aspects 579 , 123639. 10.1016/j.colsurfa.2019.123639

Khan, Zeyaur R., Midega, Charles A. O., Pittchar, Jimmy and Pickett, John A.

2019. Exploiting chemical ecology for developing novel integrated pest management strategies for Africa. Presented at: Indian Ecological Society International Conference 2016, Jammu, India, 18-20 Feb 2016. Published in: Peshin, Rajinder and Dhawan, Ashok eds. Natural Resource Management: Ecological Perspectives. Sustainability in Plant and Crop Protection. Sustainability in Plant and Crop Protection , vol.11354 Cham, Switzerland: Springer Nature Switzerland, pp. 165-183. 10.1007/978-3-319-99768-1_10

Khatoon, Saira, Vgenopoulou, Aggeliki, Naseer, Muhammad Moazzam, Shirinfar, Bahareh, Kariuki, Benson M.

, Dege, Necmi and Ahmed, Nisar

2019. Easy access to crystalline indolines via hydrogen bond transfer. Journal of Heterocyclic Chemistry 56 (4) , pp. 1388-1392. 10.1002/jhet.3516

Kim, Jin Hyun, Hansora, Dharmesh, Sharma, Pankaj

, Jang, Ji-Wook and Lee, Jae Sung 2019. Toward practical solar hydrogen production – an artificial photosynthetic leaf-to-farm challenge. Chemical Society Reviews 48 (7) , pp. 1908-1971. 10.1039/C8CS00699G

Kim, Min-Zy, Sharma, Pankaj

, Kim, YoungJin, Alam, Syed Fakhar, Lee, Hye Ryeon and Cho, Churl Hee 2019. One-step template-free hydrothermal synthesis of partially Sr-incorporated hierarchical K-CHA zeolite microspheres. Microporous and Mesoporous Materials 286 , pp. 65-76. 10.1016/j.micromeso.2019.05.007

King, Helen E., Salisbury, Alistair, Huijsmans, Jasper, Dzade, Nelson Y.

and Plümper, Oliver 2019. Influence of inorganic solution components on lithium carbonate crystal growth. Crystal Growth and Design 19 (12) , pp. 6994-7006. 10.1021/acs.cgd.9b00782

Knight, David W. 2019. Ring formation by 5-endo-dig Cyclization. Advances in Heterocyclic Chemistry, Vol. 127. Academic Press, pp. 1-100. (10.1016/bs.aihch.2018.09.004)

Ko, Myohwa, Pham, Le Thanh Mai, Sa, Young Jin, Woo, Jinwoo, Nguyen, Trang Vu Thien, Kim, Jae Hyung, Oh, Dongrak, Sharma, Pankaj

, Ryu, Jungki, Shin, Tae Joo, Joo, Sang Hoon, Kim, Yong Hwan and Jang, Ji-Wook 2019. Unassisted solar lignin valorisation using a compartmented photo-electro-biochemical cell. Nature Communications 10 (1) , 5123. 10.1038/s41467-019-13022-7

Koskamp, Janou A., Ruiz-Hernandez, Sergio E., Di Tommaso, Devis, Elena, Alin Marin, De Leeuw, Nora H.

and Wolthers, Mariette 2019. Reconsidering calcium dehydration as the rate-determining step in calcium mineral growth. Journal of Physical Chemistry C 123 (44) , pp. 26895-26903. 10.1021/acs.jpcc.9b06403

Kreplin, David A., Knowles, Peter J.

and Werner, Hans-Joachim 2019. Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. Journal of Chemical Physics 150 (19) , 194106. 10.1063/1.5094644

Kumar, M., Verma, S., Mishra, P.K.

and Verma, A.K. 2019. Cu(II)-mediated ortho-C-H amination of arenes with free amines. Journal of Organic Chemistry 84 (12) , pp. 8067-8079. 10.1021/acs.joc.9b00931

Kumar, Manoj, Verma, Shalini, Kumar, Anubhav, Mishra, Pawan K.

, Ramabhadran, Raghunath O., Banerjee, Shibdas and Verma, Akjilesh K. 2019. Mechanistic insights of Cu(II)-mediated ortho-C--H amination of arenes by capturing fleeting intermediates and theoretical calculations. Chemical Communications 55 (63) , pp. 9359-9362. 10.1039/C9CC04317A

Latham, Daniel E., Polidano, Kurt, Williams, Jonathan M. J. and Morrill, Louis C.

2019. One-pot conversion of allylic alcohols to α-methyl ketones via iron-catalyzed isomerization-methylation. Organic Letters 21 (19) , pp. 7914-7918. 10.1021/acs.orglett.9b02900

Laudadio, Gabriele, Barmpoutsis, Efstathios, Schotten, Christiane, Struik, Lisa, Govaerts, Sebastian, Browne, Duncan L.

and Noël, Timothy 2019. Sulfonamide synthesis through electrochemical oxidative coupling of amines and thiols. Journal of the American Chemical Society 141 (14) , pp. 5664-5668. 10.1021/jacs.9b02266

Lemos, Bárbara C., Gilles, Vítor, Gonçalves, Gustavo R., de Castro, Eustáquio Vinícius R., Delarmelina, Maicon

, Carneiro, José W. de M. and Greco, Sandro J. 2019. Synthesis, structure-activity relationship and evaluation of new non-polymeric chemical additives based on naphthoquinone derivatives as wax precipitation inhibitors and pour point depressants to petroleum. Fuel 220 , pp. 200-209. 10.1016/j.fuel.2018.01.121

Lewis, Richard, Ueura, Kenji, Fukuta, Yulimasa, Freakley, Simon, Kang, Liqun, Wang, Ryan, He, Qian

, Edwards, Jennifer

, Yasushi, Yamamoto and Hutchings, Graham John

2019. The direct synthesis of H2O2 using TS-1 supported catalysts. ChemCatChem 11 (6) , pp. 1673-1680. 10.1002/cctc.201900100

Lewis, Richard J., Bara Estaun, Alejandro, Agarwal, Nishtha, Freakley, Simon J., Morgan, David J.

2019. The direct synthesis of H2O2 and selective oxidation of methane to methanol using HZSM-5 supported AuPd catalysts. Catalysis Letters 149 (11) , pp. 3066-3075. 10.1007/s10562-019-02876-7

Li, Xiaoliang, Feng, Jiangjiang, Sun, Jia, Wang, Zhe and Zhao, Wei 2019. Solvent-free catalytic oxidation of benzyl alcohol over Au-Pd bimetal deposited on TiO2: comparison of Rutile, Brookite, and Anatase. Nanoscale Research Letters 14 (1) , -. 10.1186/s11671-019-3211-8

Li, J., Muller, E., Pera-Titus, M., Jérôme, F. and De Oliveira Vigier, K. 2019. Synthesis of functionalized tetrahydrofuran derivatives from 2,5-dimethylfuran through cascade reactions. Green Chemistry 21 (10) , pp. 2601-2609. 10.1039/C9GC01060B

Li, Gang, Wang, Shuaihua, Yang, Shufan, Liu, Guangfeng, Hao, Pin, Zheng, Yusen, Long, Guankui, Li, Dandan, Zhang, Yu, Yang, Wenbin, Xu, Liang, Gao, Weibo, Zhang, Qichun, Cui, Guanwei and Tang, Bo 2019. Synthesis, photophysical properties and two-photon absorption study of tetraazachrysene-based N-heteroacenes. Chemistry - An Asian Journal 14 (10) , pp. 1807-1813. 10.1002/asia.201801656

Li, Gang, Yang, Shufan, Liu, Tao, Li, Jiewei, Yang, Wenbin, Luo, Zhenghui, Yan, Cenqi, Li, Dandan, Wang, Xinyu, Cui, Guanwei, Yang, Tao, Xu, Liang, Zhan, Shun-Ze, Huo, Lijun, Yan, He and Tang, Bo 2019. Functionalizing tetraphenylpyrazine with perylene diimides (PDIs) as high-performance nonfullerene acceptors. Journal of Materials Chemistry. C 7 (46) , pp. 14563-14570. 10.1039/C9TC05643B

Li, X., Iqbal, M.A., Xu, M., Wang, Y.-C., Wang, H., Ji, M., Wan, X., Slater, T.J.A.

, Liu, J., Liu, J., Rong, H., Chen, W., Kershaw, S.V., Haigh, S.J., Rogach, A.L., Xie, L. and Zhang, J. 2019. Au@HgxCd1-xTe core@shell nanorods by sequential aqueous cation exchange for near-infrared photodetectors. Nano Energy 57 , pp. 57-65. 10.1016/j.nanoen.2018.12.030

Li, Z., Slater, T.J.A.

, Ma, X., Yu, Y., Young, R.J. and Burnett, T.L. 2019. The taxonomy of graphite nanoplatelets and the influence of nanocomposite processing. Carbon 142 , pp. 99-106. 10.1016/j.carbon.2018.10.043

Loizzi, Marianna, Miller, David J. and Allemann, Rudolf K.

2019. Silent catalytic promiscuity in the high-fidelity terpene cyclase δ-cadinene synthase. Organic & Biomolecular Chemistry 17 (5) , pp. 1206-1214. 10.1039/C8OB02821D

Lopes Ferreira, Lorena, Sarria, André Lucio Franceschini, de Oliveira Filho, Jaires Gomes, de Silva, Fernanda de Oliveira, Powers, Stephen J., Caulfield, John C., Pickett, John A.

, Birkett, Michael A. and Borges, Lígia Miranda Ferreira 2019. Identification of a non-host semiochemical from tick-resistant donkeys (Equus asinus) against Amblyomma sculptum ticks. Ticks and Tick-borne Diseases 10 (3) , pp. 621-627. 10.1016/j.ttbdis.2019.02.006

Luckham, Stephen L. J., Folli, Andrea

2019. Unravelling the photochemical transformations of chromium(I) 1,3 Bis(diphenylphosphino), [Cr(CO)4(dppp)]+, by EPR spectroscopy. Organometallics 38 (12) , -. 10.1021/acs.organomet.9b00226

Macino, Margherita, Barnes, Alexandra J., Althahban, Sultan M., Qu, Ruiyang, Gibson, Emma K., Morgan, David J

, Freakley, Simon J., Dimitratos, Nikolaos, Kiely, Christopher J.

, Gao, Xiang, Beale, Andrew M., Bethell, Donald, He, Qian

2019. Tuning of catalytic sites in Pt/TiO2 catalysts for chemoselective hydrogenation of 3-nitrostyrene. Nature Catalysis 2 , pp. 873-881. 10.1038/s41929-019-0334-3

MacIno, Margherita 2019. Tuning the activity of supported metal catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Madura, Florian, Rizkallah, Pierre J.

, Legut, Mateusz, Holland, Christopher J., Fuller, Anna, Bulek, Anna, Schauenburg, Andrea J., Trimby, Andrew, Hopkins, Jade R., Wells, Stephen A., Godkin, Andrew

, Miles, John J., Sami, Malkit, Li, Yi, Liddy, Nathaniel, Jakobsen, Bent K., Loveridge, E. Joel, Cole, David K.

and Sewell, Andrew K.

2019. TCR-induced alteration of primary MHC peptide anchor residue. European Journal of Immunology 49 (7) , pp. 1052-1066. 10.1002/eji.201948085

Mandal, Aritra, Schultz, Jonathan D., Wu, Yi-Lin

, Coleman, Adam F., Young, Ryan M. and Wasielewski, Michael R. 2019. Transient two-dimensional electronic spectroscopy: coherent dynamics at arbitrary times along the reaction coordinate. Journal of Physical Chemistry Letters 10 , pp. 3509-3515. 10.1021/acs.jpclett.9b00826

Mandal, Subrata, Nanavati, Sachin P.

and Ananthakrishnan, Rajakumar 2019. Photoactive Ag(I)-based coordination polymer as a potential semiconductor for photocatalytic water splitting and environmental remediation: experimental and theoretical approach. Journal of Physical Chemistry C 123 (39) , pp. 23940-23950. 10.1021/acs.jpcc.9b04957

Manikandan, V., Tudorache, Florin, Petrila, Iulian, Mane, R.S., Kuncser, V., Vasile, Bogdan, Morgan, David

, Vigneselvan, S. and Mirzaei, Ali 2019. Fabrication and characterization of Ru-doped LiCuFe2O4 nanoparticles and their capacitive and resistive humidity sensor applications. Journal of Magnetism and Magnetic Materials 474 , pp. 563-569. 10.1016/j.jmmm.2018.11.072

Mannu, Alberto, Vlahopoulou, Gina, Urgeghe, Paolo, Ferro, Monica, Del Caro, Alessandra, Taras, Alessandro, Garroni, Sebastiano, Rourke, Jonathan P.

, Cabizza, Roberto and Petretto, Giacomo L. 2019. Variation of the chemical composition of waste cooking oils upon bentonite filtration. Resources 8 (2) , 108. 10.3390/resources8020108

Martins, Guilherme M., Meirinho, Anne G., Ahmed, Nisar

, Braga, Antonio L. and Mendes, Samuel R. 2019. Recent advances in electrochemical chalcogen (S/Se)‐functionalization of organic molecules. ChemElectroChem 6 (24) , pp. 5928-5940. 10.1002/celc.201901525

Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas and Ahmed, Nisar

2019. A green approach: vicinal oxidative electrochemical alkene difunctionalization [Cover Profile]. ChemElectroChem 6 (5) , p. 1254. 10.1002/celc.201801892

Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas and Ahmed, Nisar

2019. A green approach: Vicinal oxidative electrochemical alkene difunctionalization [Mini review]. ChemElectroChem 6 (5) , pp. 1300-1315. 10.1002/celc.201801466

Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas, Murtaza, Ayesha and Ahmed, Nisar

2019. Organic electrosynthesis: electrochemical alkyne functionalization. Catalysis Science and Technology 9 (21) , pp. 5868-5881. 10.1039/C9CY01312A

Mazzei, Luca, Wenzel, Margot N.

, Cianci, Michele, Palombo, Marta, Casini, Angela

and Ciurli, Stefano 2019. Inhibition mechanism of urease by Au(III) compounds unveiled by x-ray diffraction analysis. ACS Medicinal Chemistry Letters 10 (4) , pp. 564-570. 10.1021/acsmedchemlett.8b00585

McGuire, Jake, Miras, Haralampos N., Richards, Emma

and Sproules, Stephen 2019. Enabling single qubit addressability in a molecular semiconductor comprising gold-supported organic radicals. Chemical Science 10 (5) , pp. 1483-1491. 10.1039/C8SC04500C

McKeown, Paul, Román-Ramírez, Luis A., Bates, Samuel, Wood, Joseph and Jones, Matthew D. 2019. Zinc complexes for PLA formation and chemical recycling: Towards a circular economy. ChemSusChem 12 (24) , pp. 5233-5238. 10.1002/cssc.201902755

Mehdipour, Hamid, Smith, Brendan A., Rezakhani, Ali T., Tafreshi, Saeedeh S., de Leeuw, Nora H.

, Prezhdo, Oleg V., Moshfegh, Alireza Z. and Akimov, Alexey V. 2019. Dependence of electron transfer dynamics on the number of graphene layers in ?-stacked 2D materials: insights from ab initio nonadiabatic molecular dynamics. Physical Chemistry Chemical Physics 10.1039/C9CP04100A

Melen, Rebecca L.

2019. Frontiers in molecular p-block chemistry: From structure to reactivity. Science 363 (6426) , pp. 479-484. 10.1126/science.aau5105

Mendhekar, Kishor L., Pradhan, Tapas R.

, Mallampudi, N. Arjunreddy and Mohapatra, Debendra K. 2019. Neighboring carbonyl group assisted hydration of unsymmetrical aryl alkynes overriding regular selectivity. European Journal of Organic Chemistry 2019 (33) , pp. 5787-5797. 10.1002/ejoc.201900941

Menkah, Elliot S., Dzade, Nelson Y.

, Tia, Richard, Adei, Evans and de Leeuw, Nora H.

2019. Hydrazine adsorption on perfect and defective fcc nickel (100), (110) and (111) surfaces: A dispersion corrected DFT-D2 study. Applied Surface Science 480 , pp. 1014-1024. 10.1016/j.apsusc.2019.02.128

Mezoughi, Aysha 2019. The synthesis and evaluation of novel soluble lytic transglycosylase inhibitors. PhD Thesis, Cardiff University.

Item availability restricted.

Michereff, Mirian F. F., Magalhães, Diego M., Hassemer, Marla J., Laumann, Raúl A., Zhou, Jing-Jiang, Ribeiro, Paulo E. de A., Viana, Paulo A., Guimarães, Paulo E. de O., Schimmelpfeng, Pedro H. C., Borges, Miguel, Pickett, John

, Birkett, Michael A. and Blassioli-Moraes, Maria Carolina 2019. Variability in herbivore-induced defence signalling across different maize genotypes impacts significantly on natural enemy foraging behaviour. Journal of Pest Science 92 (2) , pp. 723-736. 10.1007/s10340-018-1033-6

Middelkoop, V., Slater, T.

, Florea, M., Nea?u, F., Danaci, S., Onyenkeadi, V., Boonen, K., Saha, B., Baragau, I.-A. and Kellici, S. 2019. Next frontiers in cleaner synthesis: 3D printed graphene-supported CeZrLa mixed-oxide nanocatalyst for CO2 utilisation and direct propylene carbonate production. Journal of Cleaner Production 214 , pp. 606-614. 10.1016/j.jclepro.2018.12.274

Miletic, Tanja, Biot, Nicolas, Demitri, Nicola, Brancato, Giuseppe, Kariuki, Benson M.

and Bonifazi, Davide

2019. Leveraging fluorescent emission to unitary yield: dimerization of polycyclic aromatic hydrocarbons. Helvetica Chimica Acta 102 (3) , e1900004. 10.1002/hlca.201900004

Minova, Ivalina B., Matam, Santhosh K., Greenaway, Alex, Catlow, C. Richard A.

, Frogley, Mark D., Cinque, Gianfelice, Wright, Paul A. and Howe, Russell F. 2019. Elementary steps in the formation of hydrocarbons from surface methoxy groups in HZSM-5 seen by synchrotron infrared microspectroscopy. ACS Catalysis 9 (7) , pp. 6564-6570. 10.1021/acscatal.9b01820

Mishra, P. K.

, Verma, S., Kumar, M., Kumar, A. and Verma, A. K. 2019. Harnessing the reactivity of ortho-formyl-arylketones: base-promoted regiospecific synthesis of functionalized isoquinolines. Chemical Communications 55 (57) , pp. 8278-8281. 10.1039/c9cc03689j

Mitchell, Claire, Terranova, Umberto, AlShibane, Ihfaf, Morgan, David John

, Davies, Thomas, He, Qian

, Hargreaves, Justin, Meenakshisundaram, Sankar

2019. Liquid phase hydrogenation of CO2 to formate using palladium and ruthenium nanoparticles supported on molybdenum carbide. New Journal of Chemistry 43 , pp. 13985-13997. 10.1039/C9NJ02114K

Molt, Robert W., Pellegrini, Erika and Jin, Yi

2019. A GAP-GTPase-GDP-Pi intermediate crystal structure analyzed by DFT shows GTP hydrolysis involves serial proton transfers. Chemistry - A European Journal 25 (36) , pp. 8484-8488. 10.1002/chem.201901627

Morgan, David J.

2019. Imaging XPS for industrial applications. Journal of Electron Spectroscopy and Related Phenomena 231 , pp. 109-117. 10.1016/j.elspec.2017.12.008

Motta, Davide 2019. Ir-based nanoparticles for catalytic hydrogen generation using chemical hydrogen storage compounds. PhD Thesis, Cardiff University.

Item availability restricted.

Müller, Katharina, Foerstendorf, Harald, Steudtner, Robin, Tsushima, Satoru, Kumke, Michael U., Lefèvre, Grégory, Rothe, Jörg, Mason, Harris, Szabó, Zoltán, Yang, Ping, Adam, Christian K. R., André, Rémi, Brennenstuhl, Katlen, Chiorescu, Ion, Cho, Herman M., Creff, Gaëlle, Coppin, Frédéric, Dardenne, Kathy, Den Auwer, Christophe, Drobot, Björn, Eidner, Sascha, Hess, Nancy J., Kaden, Peter, Kremleva, Alena, Kretzschmar, Jerome, Krüger, Sven, Platts, James A.

, Panak, Petra J., Polly, Robert, Powell, Brian A., Rabung, Thomas, Redon, Roland, Reiller, Pascal E., Rösch, Notker, Rossberg, André, Scheinost, Andreas C., Schimmelpfennig, Bernd, Schreckenbach, Georg, Skerencak-Frech, Andrej, Sladkov, Vladimir, Solari, Pier Lorenzo, Wang, Zheming, Washton, Nancy M. and Zhang, Xiaobin 2019. Interdisciplinary round-robin test on molecular spectroscopy of the U(VI) acetate system. ACS Omega 4 (5) , pp. 8167-8177. 10.1021/acsomega.9b00164

Murage, A.W., Pittchar, J.O., Midega, C.A.O., Onyango, C.O., Pickett, J.A.

and Khan, Z.R. 2019. Gender appropriateness of field days in knowledge generation and adoption of push-pull technology in eastern Africa. East African Agricultural and Forestry Journal 83 (4) , pp. 289-306. 10.1080/00128325.2019.1644145

Naqvi, Sayed Tayyab Raza, Shirinfar, Bahareh, Hussain, Dilshad, Majeed, Saadat, Ashiq, Muhammad Naeem, Aslam, Yasin and Ahmed, Nisar

2019. Electrochemical sensing of ascorbic acid, hydrogen peroxide and glucose by bimetallic (Fe, Ni)-CNTs composite modified electrode. Electroanalysis 31 (5) , pp. 851-857. 10.1002/elan.201800768

Nastase, Stefan Adrian F. 2019. Computational study on the early stages of the Methanol to Hydrocarbons process. PhD Thesis, Cardiff University.

Item availability restricted.

Nastase, Stefan Adrian, O'Malley, A. J., Catlow, Charles . R. A.

2019. Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5. Physical Chemistry Chemical Physics 21 (5) , pp. 2639-2650. 10.1039/C8CP06736H

Nicolau Palou, Guillermo 2019. Catalytic upgrade of ethanol to n-butanol by Guerbet chemistry. PhD Thesis, Cardiff University.

Item availability restricted.

Nicolau, Guillermo, Tarantino, Giulia and Hammond, Ceri

2019. Acceptorless alcohol dehydrogenation catalysed by Pd/C. ChemSusChem 12 (22) , pp. 4953-4961. 10.1002/cssc.201901313

Nieva De La Hidalga, Abraham

, Cazenave, Nicholas, Agosti, Donat, Wu, Zhengzhe, Dillen, Mathias and Nielsen, Lars H. 2019. Use of European open science cloud and national e-infrastructures for the long-term storage of digitised assets from natural history collections. Presented at: Biodiversity_Next 2019, Leiden, The Netherlands, 21-25 October 2019. Biodiversity Information Science and Standards. , vol.3 (e37164) Pensoft, 10.3897/biss.3.37164

Nieva De La Hidalga, Abraham

and Hardisty, Alex

2019. Making heterogeneous specimen data ‘FAIR’: Implementing a digital specimen repository. Presented at: Biodiversity_Next 2019, Leiden, The Netherlands, 21-25 October 2019. Biodiversity Information Science and Standards. , vol.3 https://biss.pensoft.net/: Pensoft, e37163. 10.3897/biss.3.37163

Nieva De La Hidalga, Abraham

, Owen, David

, Spasic, Irena

, Rosin, Paul

and Sun, Xianfang

2019. Use of semantic segmentation for increasing the throughput of digitisation workflows for natural history collections. Presented at: Biodiversity_Next 2019, Leiden, The Netherlands, 21-25 October 2019. Biodiversity Information Science and Standards. , vol.3 (e37161) Pensoft, 10.3897/biss.3.37161

Niu, Feng, Xie, Shaohua, Bahri, Mounib, Ersen, Ovidiu, Yan, Zhen, Kusema, Bright T., Pera-Titus, Marc, Khodakov, Andrei Y. and Ordomsky, Vitaly V. 2019. Catalyst deactivation for enhancement of selectivity in alcohols amination to primary amines. ACS Catalysis 9 (7) , pp. 5986-5997. 10.1021/acscatal.9b00864

Nodling, Alexander R., Spear, Luke A., Williams, Thomas L., Luk, Louis Y.P.

and Tsai, Yu-Hsuan

2019. Using genetically incorporated unnatural amino acids to control protein functions in mammalian cells. Essays in Biochemistry 63 (2) , pp. 237-266. 10.1042/EBC20180042

Nowicka, Ewa

, Althahban, Sultan, Leah, Tom D., Shaw, Greg, Morgan, David

, Kiely, Christopher J.

2019. Benzyl alcohol oxidation with Pd-Zn/TiO2: computational and experimental studies. Science and Technology of Advanced Materials 20 (1) , pp. 367-378. 10.1080/14686996.2019.1598237

Nuzzo, Stefano, van Leusen, Jan, Twamley, Brendan, Platts, James A.

, Kögerler, Paul and Baker, Robert J. 2019. Oxidation of uranium(IV) thiocyanate complexes: cation–cation interactions in mixed-valent uranium coordination chains. Dalton Transactions 48 (20) , pp. 6704-6708. 10.1039/C9DT01005J

Nyathi, Thulani M., Fischer, Nico, York, Andrew P. E., Morgan, David J.

, Gibson, Emma K., Wells, Peter P., Catlow, C. Richard A.

and Claeys, Michael 2019. Impact of nanoparticle-support interactions in Co3O4/Al2O3 catalysts for the preferential oxidation of carbon monoxide. ACS Catalysis 9 (8) , pp. 7166-7178. 10.1021/acscatal.9b00685

Olsson, Emilia, Cottom, Jonathon, Aparicio-Anglès, Xavier and de Leeuw, Nora H.

2019. Computational study of the mixed B-site perovskite SmBxCo1-xO3-d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics 21 (18) , pp. 9407-9418. 10.1039/C9CP00995G

Orlowski, Igor, Douthwaite, Mark, Iqbal, Sarwat, Hayward, James S., Davies, Thomas E., Bartley, Jonathan K.

, Miedziak, Peter J., Hirayama, Jun, Morgan, David J.

2019. The hydrogenation of levulinic acid to γ-valerolactone over Cu-ZrO2 catalysts prepared by a pH-gradient methodology. Journal of Energy Chemistry 36 , pp. 15-24. 10.1016/j.jechem.2019.01.015

Orlowski, Igor 2019. From glucose to γ-valerolactone: development of novel catalytic methodologies. PhD Thesis, Cardiff University.

Item availability restricted.

Ou, Xiaoxia, Pilitsis, Fotios, Jiao, Yilai, Zhang, Yong, Xu, Shaojun, Jennings, Martin, Yang, Yi, Taylor, S.F. Rebecca, Garforth, Arthur, Zhang, Huiping, Hardacre, Christopher, Yan, Ying and Fan, Xiaolei 2019. Hierarchical Fe-ZSM-5/SiC foam catalyst as the foam bed catalytic reactor (FBCR) for catalytic wet peroxide oxidation (CWPO). Chemical Engineering Journal 362 , pp. 53-62. 10.1016/j.cej.2019.01.019

Oubaha, Hamid, Demitri, Nicola, Rault-Berthelot, Joëlle, Dubois, Philippe, Coulembier, Olivier and Bonifazi, Davide

2019. Photoactive boron-nitrogen-carbon hybrids: from azo-borazines to polymeric materials. Journal of Organic Chemistry 84 (14) , pp. 9101-9116. 10.1021/acs.joc.9b01046

Ould, Darren M. C., Tran, Thao T. P., Rawson, Jeremy M. and Melen, Rebecca L.

2019. Structure-property-reactivity studies on dithiaphospholes. Dalton Transactions 48 (45) , pp. 16922-16935. 10.1039/C9DT03577J

Pandharkar, Subhash, Rondiya, Sachin, Bhorde, Ajinkya, Nair, Shruthi, Aher, Rahul, Vairale, Priti, Waghmare, Ashish, Naik, Dhirsing, Waykar, Ravindra, Jadhav, Yogesh, Haram, Santosh, Ghosalya, Manoj Kumar, Gopinath, Chinnakonda, Prasad, Mohit and Jadkar, Sandesh 2019. Probing the effect of selenium substitution in kesterite-Cu2ZnSnS4 nanocrystals prepared by hot injection method. Journal of Materials Science: Materials in Electronics 30 (15) , 14781–14790. 10.1007/s10854-019-01851-7

Parker, Luke 2019. The catalytic decomposition of ammonia. PhD Thesis, Cardiff University.

Item availability restricted.

Parkes, Ronald John, Berlendis, Sabrina

, Roussel, Erwan G., Bahruji, Hasliza, Webster, Gordon

, Oldroyd, Anthony, Weightman, Andrew J.

, Davies, Philip R.

and Sass, Henrik

2019. Rock-crushing derived hydrogen directly supports a methanogenic community: significance for the deep biosphere. Environmental Microbiology Reports 11 (2) , pp. 165-172. 10.1111/1758-2229.12723

Parmar, Digvijaysinh K., Butani, Pinal M., Thumar, Niraj J., Jasani, Pinal M., Padaliya, Ravi V., Sandhiya, Paba R., Nakum, Haresh D., Khan, Md. Nasim and Makwana, Dipak 2019. Oxy-functionalization of olefins with neat and heterogenized binuclear V(IV)O and Fe(II) complexes: effect of steric hindrance on product selectivity and output in homogeneous and heterogeneous phase. Molecular Catalysis 474 , 110424. 10.1016/j.mcat.2019.110424

Patel, Sanjay G., Sayers, Edward J.

, He, Lin, Narayan, Rohan, Williams, Thomas L., Mills, Emily M., Allemann, Rudolf K.

, Luk, Louis Y. P.

, Jones, Arwyn T.

and Tsai, Yu-Hsuan

2019. Cell-penetrating peptide sequence and modification dependent uptake and subcellular distribution of green florescent protein in different cell lines. Scientific Reports 9 (1) , -. 10.1038/s41598-019-42456-8

Patra, Tuhin, Mukherjee, Satobhisha, Ma, Jiajia, Strieth-Kalthoff, Felix and Glorius, Frank 2019. Visible-light-photosensitized aryl and alkyl decarboxylative functionalization reactions. Angewandte Chemie International Edition 58 (31) , pp. 10514-10520. 10.1002/anie.201904671

Paulo, Bruno S., Sigrist, Renata, Angolini, Célio F. F. and Gonzaga De Oliveira, Luciana 2019. Cover picture: new cyclodepsipeptide derivatives revealed by genome mining and molecular networking (27/2019). ChemistrySelect 4 (27) , p. 7784. 10.1002/slct.201902252

Paulo, Bruno S., Sigrist, Renata, Angolini, Célio F. F. and Gonzaga De Oliveira, Luciana 2019. New cyclodepsipeptide derivatives revealed by genome mining and molecular networking. ChemistrySelect 4 (27) , pp. 7785-7790. 10.1002/slct.201900922

Pavliuk, Mariia V., Gutiérrez Álvarez, Sol, Hattori, Yocefu, Messing, Maria E., Czapla-Masztafiak, Joanna, Szlachetko, Jakub, Silva, Jose L., Araujo, Carlos Moyses, Fernandes, Daniel L. A., Lu, Li, Kiely, Christopher J.

, Abdellah, Mohamed, Nordlander, Peter and Sá, Jacinto 2019. Hydrated electron generation by excitation of copper localized surface plasmon resonance. The Journal of Physical Chemistry Letters 10 (8) , pp. 1743-1749. 10.1021/acs.jpclett.9b00792

Pegg, James T., Shields, Ashley E., Storr, Mark T., Scanlon, David O. and de Leeuw, Nora H.

2019. Interaction of hydrogen with actinide dioxide (111) surfaces. Journal of Chemical Physics 150 (13) , 134701. 10.1063/1.5087577

Pegg, James T., Shields, Ashley E., Storr, Mark T., Scanlon, David O. and De Leeuw, Nora H.

2019. Noncollinear relativistic DFT + U calculations of actinide dioxide surfaces. Journal of Physical Chemistry C 123 (1) , pp. 356-366. 10.1021/acs.jpcc.8b07823

Pegg, James T., Shields, Ashley E., Storr, Mark T., Wills, Andrew S., Scanlon, David O. and de Leeuw, Nora H.

2019. Magnetic structure of UO2 and NpO2 by first-principle methods. Physical Chemistry Chemical Physics 21 (2) , pp. 760-761. 10.1039/C8CP03581D

Pendem, Saikiran, Bolla, Srinivasa Rao, Morgan, David J.

, Shinde, Digambar B., Lai, Zhiping, Nakka, Lingaiah and Mondal, John 2019. Metal-organic-framework derived Co-Pd bond is preferred over Fe-Pd for reductive upgrading of furfural to tetrahydrofurfuryl alcohol. Dalton Transactions 48 (24) 10.1039/C9DT01190K

Permyakov, Eugene A., Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D. and Platts, James A.

2019. Molecular dynamics simulation of aluminum binding to amyloid-β and its effect on peptide structure. PLoS ONE 14 (6) , e0217992. 10.1371/journal.pone.0217992

Petrova, Yoana D., Wadda, Katty, Nathubhai, Amit, Jevglevskis, Maksims, Mitchell, Paul J., James, Tony D., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2019. Identification of novel small-molecule inhibitors of α-methylacyl-CoA (AMACR; P504S) and structure-activity relationships. Bioorganic Chemistry 92 , 103264. 10.1016/j.bioorg.2019.103264

Pezzetta, Cristofer, Bonifazi, Davide

and Davidson, Robert W. M. 2019. Enantioselective synthesis of N-benzylic heterocycles: a nickel and photoredox dual catalysis approach. Organic Letters 21 (22) , pp. 8957-8961. 10.1021/acs.orglett.9b03338

Phelan, Brian T., Zhang, Jinyuan, Huang, Guan-Jhih, Wu, Yi-Lin

, Zarea, Mehdi, Young, Ryan M. and Wasielewski, Michael R. 2019. Quantum coherence enhances electron transfer rates to two equivalent electron acceptors. Journal of the American Chemical Society 141 (31) , pp. 12236-12239. 10.1021/jacs.9b06166

Phillips, Kaitlin A., Stonelake, Thomas M., Horton, Peter N., Coles, Simon J., Hallett, Andrew J., O'Kell, Sean P., Beames, Joseph M.

2019. Dual visible/NIR emission from organometallic iridium(III) complexes. Journal of Organometallic Chemistry 893 , pp. 11-20. 10.1016/j.jorganchem.2019.04.019

Phillips, Kaitlin 2019. Development of Luminescent iridium(III) and Rhenium(I) complexes for optoelectronic applications. PhD Thesis, Cardiff University.

Item availability restricted.

Pickett, John A

, Midega, Charles A O, Pittchar, Jimmy and Khan, Zeyaur R 2019. Removing constraints to sustainable food production: new ways to exploit secondary metabolism from companion planting and GM. Pest Management Science 75 (9) , pp. 2346-2352. 10.1002/ps.5508

Pinho, Jacinta, Amaral, Joana, Castro, Rui, Rodrigues, Cecilia, Casini, Angela

, Soveral, Graca and Gaspar, Manuela 2019. Copper complex nanoformulations featuring highly promising therapeutic potential in murine melanoma models. Nanomedicine 14 (7) 10.2217/nnm-2018-0388

Polidano, Kurt 2019. Exploring new directions in hydrogen transfer chemistry. PhD Thesis, Cardiff University.
Item availability restricted.

Polidano, Kurt, Williams, Jonathan M. J. and Morrill, Louis C.

2019. Iron-catalyzed borrowing hydrogen β-C(sp3)-methylation of alcohols. ACS Catalysis 9 (9) , pp. 8575-8580. 10.1021/acscatal.9b02461

Polyak, Iakov

, Hutton, Lewis, Crespo-Otero, Rachel, Barbatti, Mario and Knowles, Peter J.

2019. Ultrafast photoinduced dynamics of 1,3-Cyclohexadiene using XMS-CASPT2 surface hopping. Journal of Chemical Theory and Computation 15 (7) , pp. 3929-3940. 10.1021/acs.jctc.9b00396

Polyak, Iakov

, Richings, Gareth W., Habershon, Scott and Knowles, Peter J.

2019. Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression. Journal of Chemical Physics 150 (4) , -. 10.1063/1.5086358

Postica, Vasile, Vahl, Alexander, Santos Carballal, David

, Dankwort, Torben, Kienle, Lorenz, Hoppe, Mathias, Essadek-Cadi, Abdelaziz, De Leeuw, Nora H.

, Terasa, Maik-Ivo, Adelung, Rainer, Faupel, Franz and Lupan, Oleg 2019. Tuning ZnO sensors reactivity towards volatile organic compounds via Ag doping and nanoparticle functionalisation. ACS Applied Materials and Interfaces 11 (34) , pp. 31452-31466. 10.1021/acsami.9b07275

Pöthig, Alexander and Casini, Angela

2019. Recent developments of supramolecular metal-based structures for applications in cancer therapy and imaging. Theranostics 9 (11) , pp. 3150-3169. 10.7150/thno.31828

Pradhan, Tapas R.

and Mohapatra, Debendra K. 2019. Neighboring carbonyl group assisted oxyacetoxylation of propargylic carboxylates with retention of chirality under metal free condition. Advanced Synthesis & Catalysis 361 (15) , pp. 3605-3611. 10.1002/adsc.201900314

Pudkon, Watcharapong, Kaowphong, Sulawan, Pattisson, Samuel, Miedziak, Peter J., Bahruji, Hasliza, Davies, Thomas E., Morgan, David J.

2019. Microwave synthesis of ZnIn2S4/WS2 composites for photocatalytic hydrogen production and hexavalent chromium reduction. Catalysis Science and Technology 9 (20) , pp. 5698-5711. 10.1039/C9CY01553A

Quesne, Matthew G. and de Visser, Sam P. 2019. The quest for accurate theoretical models of metalloenzymes: An aid to experiment. Broclawik, E, Borowski, T and Radoń, M, eds. Transition Metals in Coordination Environments. Challenges and Advances in Computational Chemistry and Physics, Vol. 29. Challenges and Advances in Computational Chemistry and Physics, pp. 439-462. (10.1007/978-3-030-11714-6_14)

Quesne, Matthew G., Roldan Martinez, Alberto

, de Leeuw, Nora H.

2019. Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study. Physical Chemistry Chemical Physics 21 (20) , p. 10750. 10.1039/C9CP00924H

Quesne, Matthew G., Silveri, Fabrizio, De Leeuw, Nora H.

2019. Advances in sustainable catalysis: a computational perspective. Frontiers in Chemistry 7 , 182. 10.3389/fchem.2019.00182

Qurban, Jihan, Elsherbini, Mohamed, Alharbi, Haifa and Wirth, Thomas

2019. Synthesis, characterisation, and reactivity of novel pseudocyclic hypervalent iodine reagents with heteroaryl carbonyl substituents. Chemical Communications 55 , pp. 7998-8000. 10.1039/C9CC03905H

Qurban, Jihan 2019. Design, synthesis and applications of novel hypervalent iodine reagents. PhD Thesis, Cardiff University.

Rabizadeh, Taher, Morgan, David J.

, Peacock, Caroline L. and Benning, Liane G. 2019. Effectiveness of green additives vs poly(acrylic acid) in inhibiting calcium sulfate dihydrate crystallization. Industrial & Engineering Chemistry Research 58 (4) , pp. 1561-1569. 10.1021/acs.iecr.8b02904

Rasi, Silvia, Silveri, Fabrizio, Ricart, Susagna, Obradors, Xavier, Puig, Teresa, Roura-Grabulosa, Pere and Farjas, Jordi 2019. Thermal decomposition of CuProp2: In-situ analysis of film and powder pyrolysis. Journal of Analytical and Applied Pyrolysis 140 , pp. 312-320. 10.1016/j.jaap.2019.04.008

Reed-Berendt, Benjamin G. and Morrill, Louis C.

2019. Manganese-catalyzed N-alkylation of sulfonamides using alcohols. Journal of Organic Chemistry 84 (6) , pp. 3715-3724. 10.1021/acs.joc.9b00203

Reed-Berendt, Benjamin G., Polidano, Kurt and Morrill, Louis C.

2019. Recent advances in homogeneous borrowing hydrogen catalysis using earth-abundant first row transition metals. Organic and Biomolecular Chemistry 17 (7) , pp. 1595-1607. 10.1039/C8OB01895B

Rhys, Guto G., Wood, Christopher W., Beesley, Joseph L., Zaccai, Nathan R., Burton, Antony J., Brady, R. Leo, Thomson, Andrew R. and Woolfson, Derek N. 2019. Navigating the structural landscape of de novo α-helical bundles. Journal of the American Chemical Society 141 (22) , pp. 8787-8797. 10.1021/jacs.8b13354

Richards, E.

, Murphy, D. M.

and Che, M. 2019. An EPR characterisation of stable and transient reactive oxygen species formed under radiative and non-radiative conditions. Research on Chemical Intermediates 45 (12) , pp. 5763-5779. 10.1007/s11164-019-04001-0

Richards, Nia 2019. The catalytic decomposition of nitrous oxide. PhD Thesis, Cardiff University.

Item availability restricted.

Ried, Alexander C. A., Taylor, Laurence J., Geer, Ana M., Williams, Huw E. L., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2019. A highly active bidentate magnesium catalyst for amine‐borane dehydrocoupling: kinetic and mechanistic studies. Chemistry - A European Journal 25 (27) , pp. 6840-6846. 10.1002/chem.201901197

Ritterskamp, Nadine 2019. An EPR and ENDOR investigation of a series of Cu(II) transition metal complexes. PhD Thesis, Cardiff University.

Item availability restricted.

Roldan Martinez, Alberto

2019. A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe3S4{111} surface. Physical Chemistry Chemical Physics 10.1039/C8CP06371K

Rondiya, Sachin, Jadhav, Yogesh, Nasane, Mamta, Jadkar, Sandesh and Dzade, Nelson Y.

2019. Interface structure and band alignment of CZTS/CdS heterojunction: An experimental and first-principles DFT investigation. Materials 12 (24) , 4040. 10.3390/ma12244040

Rossignon, Alexandre and Bonifazi, Davide

2019. O-Annulation leading to five-, six-, and seven-membered cyclic diaryl ethers involving C-H cleavage. Synthesis 51 (19) , pp. 3588-3599. 10.1055/s-0037-1611892

Rucinska, Emilia Maria 2019. Selective catalytic oxidation in the liquid phase by gold-palladium catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Ruiz Esquius, Jonathan 2019. Catalysis to produce solar fuels: From the production of hydrogen via water splitting, to hydrogen conversion to methanol by its reaction with CO2. PhD Thesis, Cardiff University.

Item availability restricted.

Ruiz-Pernía, J. Javier, Tuñón, Iñaki, Moliner, Vicent and Allemann, Rudolf K.

2019. Why are some enzymes dimers? flexibility and catalysis in Thermotoga maritima dihydrofolate reductase. ACS Catalysis 9 , pp. 5902-5911. 10.1021/acscatal.9b01250

Saeed, Ibrahim Q. and Buurma, Niklaas J.

2019. Analysis of isothermal titration calorimetry data for complex interactions using I2CITC. Ennifar, Eric, ed. Microcalorimetry of Biological Molecules, Vol. 1964. Methods in Molecular Biology, Humana Press, pp. 169-183. (10.1007/978-1-4939-9179-2_13)

Samorí, Paolo, Feng, Xinliang and Bonifazi, Davide

2019. π‐Conjugated molecules: from structure to function. ChemPlusChem 84 (9) , pp. 1177-1178. 10.1002/cplu.201900442

Sampford, Katharine R., Carden, Jamie L., Kidner, Edward B., Berry, Abigail, Cavell, Kingsley J., Murphy, Damien M.

2019. Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes. Dalton Transactions , -. 10.1039/C8DT04462G

Sandu, Georgiana, Avila Osses, Jonathan, Luciano, Marine, Caina, Darwin, Stopin, Antoine, Bonifazi, Davide

, Gohy, Jean-François, Silhanek, Alejandro V., Florea, Ileana, Bahri, Mounib, Ersen, Ovidiu, Leclere, Philippe, Gabriele, Sylvain, Vlad, Alexandru and Melinte, Sorin 2019. Kinked silicon nanowires: Superstructures by metal assisted chemical etching. Nano Letters , -. 10.1021/acs.nanolett.9b02568

Santi, Micol, Seitz, Jakob, Cicala, Rossana, Hardwick, Tomas, Ahmed, Nisar

and Wirth, Thomas

2019. Memory of chirality in flow electrochemistry: fast optimisation with DoE and online 2D-HPLC. Chemistry - A European Journal 25 (71) , pp. 16230-16235. 10.1002/chem.201904711

Santi, Micol, Ould, Darren M. C., Wenz, Jan, Soltani, Yashar, Melen, Rebecca L.

and Wirth, Thomas

2019. Metal-free tandem rearrangement/lactonization: Access to 3,3-disubstituted benzofuran-2-(3H)-ones. Angewandte Chemie International Edition 58 (23) , pp. 7861-7865. 10.1002/anie.201902985

Santos Hernandez, Alba, Lewis, Richard James, Malta, Grazia, Howe, Alexander, Morgan, David John

, Hampton, Euan, Gaskin, Paul and Hutchings, Graham J.

2019. The direct synthesis of hydrogen peroxide over Au-Pd supported nanoparticles under ambient conditions. Industrial & Engineering Chemistry Research 58 (28) , pp. 12623-12631. 10.1021/acs.iecr.9b02211

Sarma, Plaban Jyoti, Dey Baruah, Satyajit, Logsdail, Andrew

and Deka, Ramesh Chandra 2019. Hydride pinning pathway in the hydrogenation of CO2 into formic acid on dimeric tin dioxide. ChemPhysChem 20 (5) , pp. 680-686. 10.1002/cphc.201801194

Saunders, Korrin 2019. Water purification by Catalytic Wet Air Oxidation (CWAO). PhD Thesis, Cardiff University.

Item availability restricted.

Saunders, Lucy K., Nowell, Harriott, Hatcher, Lauren E.

, Shepherd, Helena J., Teat, Simon J., Allan, David R., Raithby, Paul R. and Wilson, Chick C. 2019. Exploring short strong hydrogen bonds engineered in organic acid molecular crystals for temperature dependent proton migration behaviour using single crystal synchrotron X-ray diffraction (SCSXRD). CrystEngComm 21 (35) 10.1039/C9CE00925F

Schlaeger, Stefanie, Pickett, John A

and Birkett, Michael A 2019. Prospects for management of whitefly using plant semiochemicals, compared with related pests. Pest Management Science 74 (11) , pp. 2405-2411. 10.1002/ps.5058

Schmidt, Nico, Enache, Mihaela, Maggini, Laura, Havenith, Remco W.A., Bonifazi, Davide

and Stöhr, Meike 2019. Coverage-controlled polymorphism of H-bonded networks on Au(111). Journal of Physical Chemistry C 123 (12) , pp. 7151-7157. 10.1021/acs.jpcc.8b12260

Scott, Alan F., Cresser-Brown, Joel, Williams, Thomas L., Rizkallah, Pierre J.

, Jin, Yi

, Luk, Louis Y.-P.

2019. Crystal structure and biophysical analysis of furfural detoxifying aldehyde reductase from clostridium beijerinkii. Applied and Environmental Microbiology 10.1128/AEM.00978-19

Serhan, N., Tsolakis, A., Wahbi, A., Martos, F.J. and Golunski, S.

2019. Modifying catalytically the soot morphology and nanostructure in diesel exhaust: Influence of silver De-NOx catalyst (Ag/Al2O3). Applied Catalysis B: Environmental 241 , pp. 471-482. 10.1016/j.apcatb.2018.09.068

Shah, Parag M., Burnett, Joseph W. H., Morgan, David J.

, Davies, Thomas E. and Taylor, Stuart H.

2019. Ceria-zirconia mixed metal oxides prepared via mechanochemical grinding of carbonates for the total oxidation of propane and naphthalene. Catalysts 9 (5) , p. 475. 10.3390/catal9050475

Shah, Parag M., Day, Andrew N., Davies, Thomas E., Morgan, David J.

2019. Mechanochemical preparation of ceria-zirconia catalysts for the total oxidation of propane and naphthalene Volatile Organic Compounds. Applied Catalysis B: Environmental 253 , pp. 331-340. 10.1016/j.apcatb.2019.04.061

Shah, Parag 2019. Preparation of mixed metal oxide catalysts for VOC total oxidation. PhD Thesis, Cardiff University.

Item availability restricted.

Sharma, Pankaj

, Jang, Ji-Wook and Lee, Jae Sung 2019. Key strategies to advance the photoelectrochemical water splitting performance of α‐Fe2O3 photoanode. ChemCatChem 11 (1) , pp. 157-179. 10.1002/cctc.201801187

Sharma, Pankaj

, Kim, Young-Jin, Kim, Min-Zy, Alam, Syed Fakhar and Cho, Churl Hee 2019. A stable polymeric chain configuration producing high performance PEBAX-1657 membranes for CO2 separation. Nanoscale Advances 1 (7) , pp. 2633-2644. 10.1039/C9NA00170K

Shen, Yanbin, Mamakhel, Aref, Liu, Xi, Hansen, Thomas W., Tabanelli, Tommaso, Bonincontro, Danilo, Iversen, Bo B., Prati, Laura, Li, Yongwang, Niemantsverdriet, J. W. Hans, Hutchings, Graham

, Dimitratos, Nikolaos

, Villa, Alberto and Su, Ren 2019. Promotion mechanisms of Au supported on TiO2 in thermal- and photocatalytic glycerol conversion. Journal of Physical Chemistry C 123 (32) , pp. 19734-19741. 10.1021/acs.jpcc.9b05475

Shirinfar, Bahareh and Ahmed, Nisar

2019. Diabetes treatment: Selective synthetic receptor for glucose. ChemistryOpen 8 (1) , pp. 84-86. 10.1002/open.201800279

Silva, Filipa 2019. Exploring new methodologies for the synthesis of garlic metabolites. PhD Thesis, Cardiff University.

Item availability restricted.

Silveri, Fabrizio 2019. Materials for carbon dioxide utilization. PhD Thesis, Cardiff University.

Item availability restricted.

Silveri, Fabrizio, Quesne, Matthew G., Roldan Martinez, Alberto

, De Leeuw, Nora H.

2019. Hydrogen adsorption on transition metal carbides: a DFT study. Physical Chemistry Chemical Physics 21 (10) , pp. 5335-5343. 10.1039/C8CP05975F

Simplicio Grasina, Manuel 2019. Synthesis of size controlled metal nanoparticles using microwave and sonochemical approaches. PhD Thesis, Cardiff University.

Item availability restricted.

Singh, Fateh V. and Wirth, Thomas

2019. 7. Selenium and tellurium electrophiles in organic synthesis. Laitinen, Risto and Oilunkaniemi, Raija, eds. Selenium and Tellurium Reagents: In Chemistry and Materials Science, De Gruyter, pp. 243-300. (10.1515/9783110529340-007)

Singh, Fateh Veer and Wirth, Thomas

2019. Selenium reagents as catalysts. Catalysis Science & Technology 9 (5) , pp. 1073-1091. 10.1039/C8CY02274G

Slater, Thomas

2019. Preface – Electron microscopy of beam-sensitive materials. Micron 125 , 102716. 10.1016/j.micron.2019.102716

Smith, Louise R., Smith, Paul J., Mugford, Karl S., Douthwaite, Mark, Dummer, Nicholas F.

, Howard, Mark, Knight, David W., Taylor, Stuart H.

2019. New insights for the valorisation of glycerol over MgO catalysts in the gas-phase. Catalysis Science and Technology 9 , pp. 1464-1475. 10.1039/C8CY02214C

Smith, Gemma L., Eyley, Jennifer E., Han, Xue, Zhang, Xinran, Li, Jiangnan, Jacques, Nicholas M., Godfrey, Harry G. W., Argent, Stephen P., McCormick McPherson, Laura J., Teat, Simon J., Cheng, Yongqiang, Frogley, Mark D., Cinque, Gianfelice, Day, Sarah J., Tang, Chiu C., Easun, Timothy L.

, Rudic, Svemir, Ramirez-Cuesta, Anibal J., Yang, Sihai and Schröder, Martin 2019. Reversible coordinative binding and separation of sulfur dioxide in a robust metal-organic framework with open copper sites. Nature Materials 18 , pp. 1358-1365. 10.1038/s41563-019-0495-0

Smith, Keith, Hegazy, Amany S. and El-Hiti, Gamal A. 2019. The use of polymeric sulfides as catalysts for the para-regioselective chlorination of phenol and 2-chlorophenol. Journal of Sulfur Chemistry 41 (1) , pp. 1-12. 10.1080/17415993.2019.1688815

Smith, Keith, Williams, Des and El-Hiti, Gamal A. 2019. Regioselective chlorination of phenols in the presence of tetrahydrothiopyran derivatives. Journal of Sulfur Chemistry 40 (5) , pp. 529-538. 10.1080/17415993.2019.1620230

Smith, Paul J., Smith, Louise, Dummer, Nicholas F.

, Douthwaite, Mark, Willock, David J.

, Howard, Mark, Knight, David W., Taylor, Stuart H.

2019. Investigating the Influence of Reaction Conditions and the Properties of Ceria for the Valorisation of Glycerol. Energies 12 (7) , 1359. 10.3390/en12071359

Soldatova, Natalia S., Postnikov, Pavel S., Yusubov, Mekhman S. and Wirth, Thomas

2019. Flow synthesis of iodonium trifluoroacetates through direct oxidation of iodoarenes by Oxone®. European Journal of Organic Chemistry 2019 (10) , pp. 2081-2088. 10.1002/ejoc.201900220

South, Amy J., Geer, Ana M., Taylor, Laurence J., Sharpe, Helen R., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2019. Iron(II)-catalyzed hydroamination of isocyanates. Organometallics 38 (21) , 4115–4120. 10.1021/acs.organomet.9b00393

Stanczyk, N. M., Brugman, V. A., Austin, V., Sanchez-Roman Teran, F., Gezan, S. A., Emery, M., Visser, T. M., Dessens, J. T., Stevens, W., Smallegange, R. C., Takken, W., Hurd, H., Caulfield, John, Birkett, M., Pickett, J.

and Logan, J. G. 2019. Species-specific alterations in Anopheles mosquito olfactory responses caused by Plasmodium infection. Scientific Reports 9 , 3396. 10.1038/s41598-019-40074-y

Stewart, Jack A., McKeown, Paul, Driscoll, Oliver J., Mahon, Mary F., Ward, Benjamin D.

and Jones, Matthew D. 2019. Tuning the thiolen: Al(III) and Fe(III) thiolen complexes for the isoselective ROP of rac-Lactide. Macromolecules 52 (15) , pp. 5977-5984. 10.1021/acs.macromol.9b01205

Stishenko, P. V. and Kayumova, T. R. 2019. Investigate of lateral interactions between ammonia molecules adsorbed on a V3C2 MXenes sheet of DFT study and statistical physics. Presented at: Oil and Gas Engineering (OGE-2019), 26–28 February 2019. Published in: Myshlyavtsev, Alexander V., Likholobov, Vladimir A. and Yusha, Vladimir L. eds. AIP Conference Proceedings. , vol.2151 AIP, 10.1063/1.5122041

Stonelake, Thomas Matthew 2019. Spectroscopic and computational techniques for the analysis of photochemically driven reactions. PhD Thesis, Cardiff University.

Item availability restricted.

Sun, Songmei, Watanabe, Motonori, Wang, Pangpang and Ishihara, Tatsumi 2019. Synergistic enhancement of H2 and CH4 evolution by CO2 photoreduction in water with reduced Graphene oxide–bismuth monoxide quantum dot catalyst. ACS Applied Energy Materials 2 (3) , pp. 2104-2112. 10.1021/acsaem.8b02153

Tafreshi, Saeedeh Sarabadani, Moshfegh, Alireza Z.Xaker and De Leeuw, Nora

2019. Mechanism of photocatalytic reduction of CO2 by Ag3PO4(111)/g-C3N4 nanocomposite: A first principles study. Journal of Physical Chemistry C 123 (36) , pp. 22191-22201. 10.1021/acs.jpcc.9b04493

Tailby, Matthew 2019. Intensification of multiphase processes. MPhil Thesis, Cardiff University.
Item availability restricted.

Tansell, Alexander 2019. The use of microscopy and spectroscopy to probe the dynamic behaviours of metal-organic frameworks and their guests. PhD Thesis, Cardiff University.

Item availability restricted.

Taylor, Laurence J. and Kays, Deborah L.

2019. Low-coordinate first-row transition metal complexes in catalysis and small molecule activation. Dalton Transactions 48 (33) , pp. 12365-12381. 10.1039/C9DT02402F

Thomas, Daniel Stephen 2019. Modification of human thyroid peroxidase for structural studies. PhD Thesis, Cardiff University.

Item availability restricted.

Tierney, George F., Decarolis, Donato, Abdullah, Norli, Rogers, Scott M., Hayama, Shusaku, Briceno de Gutierrez, Martha, Villa, Alberto, Catlow, C. Richard A.

, Collier, Paul, Dimitratos, Nikolaos and Wells, Peter P. 2019. Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization. Nanoscale Advances 1 (7) , pp. 2546-2552. 10.1039/C9NA00159J

Tiwari, Jitendra N., Harzandi, Ahmad M., Ha, Miran, Sultan, Siraj, Myung, Chang Woo, Park, Hyo Ju, Kim, Dong Yeon, Thangavel, Pandiarajan, Singh, Aditya Narayan, Sharma, Pankaj

, Chandrasekaran, Selvaraj Selva, Salehnia, Foad, Jang, Ji-Wook, Shin, Hyeon Suk, Lee, Zonghoon and Kim, Kwang S. 2019. High-performance hydrogen evolution by Ru single atoms and nitrided-Ru nanoparticles implanted on N-doped graphitic sheet. Advanced Energy Materials 9 (26) , 1900931. 10.1002/aenm.201900931

Tolosa, Tigist A., Tamiru, Amanuel, Midega, Charles A. O., Van Den Berg, Johnnie, Birkett, Michael A., Woodcock, Christine M., Bruce, Toby J. A., Kelemu, Segenet, Pickett, John A.

and Khan, Zeyaur R. 2019. Molasses grass induces direct and indirect defense responses in neighbouring maize plants. Journal of Chemical Ecology 45 (11-12) , pp. 982-992. 10.1007/s10886-019-01122-z

Tondo, Rodolfo 2019. Peptide-assisted cancer cell migration along engineered surfaces. PhD Thesis, Cardiff University.

Item availability restricted.

Tsuru, Shota, Vidal, Marta L., Pápai, Mátyás, Krylov, Anna I., Møller, Klaus B. and Coriani, Sonia 2019. Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations. The Journal of Chemical Physics 151 (12) , 124114. 10.1063/1.5115154

Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D. and Platts, James A.

2019. Replica exchange molecular dynamics simulation of the coordination of Pt(ii)-Phenanthroline to amyloid-β†. RSC Advances 9 (60) , pp. 35089-35097. 10.1039/C9RA04637B

Turner, Matthew, Mutter, Shaun and Platts, James

2019. Molecular dynamics simulation on the effect of transition metal binding to the n-terminal fragment of amyloid-β. Journal of Biomolecular Structure and Dynamics 37 (17) , pp. 4590-4600. 10.1080/07391102.2018.1555490

Turner, Thomas D., Hatcher, Lauren E.

, Wilson, Chick C. and Roberts, Kevin J. 2019. Habit modification of the active pharmaceutical ingredient lovastatin through a predictive solvent selection approach. Journal of Pharmaceutical Sciences 108 (5) 10.1016/j.xphs.2018.12.012

Tzoupis, Haralambos, Nteli, Agathi, Platts, Jamie

, Mantzourani, Efi

and Tselios, Theodore 2019. Refinement of the gonadotropin releasing hormone receptor I homology model by applying molecular dynamics. Journal of Molecular Graphics and Modelling 89 , pp. 147-155. 10.1016/j.jmgm.2019.03.009

Ungerer, M. J.

, van der Westhuizen, D. J., Krieg, H. M. and van Sittert, C. G. C. E. 2019. Molecular modelling of tantalum fluoride in sulphuric acid medium: a DFT study. Journal of Molecular Liquids 288 , 111056. 10.1016/j.molliq.2019.111056

Ungerer, M. J.

, van Sittert, C. G. C. E., van der Westhuizen, D. J. and Krieg, H. M. 2019. DFT modelling of tantalum pentafluoride extraction with phosphorus-based extractants - A molecular dynamics study. Journal of Physics and Chemistry of Solids 135 , 109121. 10.1016/j.jpcs.2019.109121

Ungerer, Marietjie

, Santos Carballal, David

, Cadi, Abdelaziz, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H.

2019. Interaction of H2O with the platinum Pt (001), (011), and (111) surfaces: a density functional theory study with long-range dispersion corrections. Journal of Physical Chemistry C 123 (45) , pp. 27465-27476. 10.1021/acs.jpcc.9b06136

Utkin, Yuri N., Kuch, Ulrich, Kasheverov, Igor E., Lebedev, Dmitry S., Cederlund, Ella, Molles, Brian E., Polyak, Iakov

, Ivanov, Igor A., Prokopev, Nikita A., Ziganshin, Rustam H., Jornvall, Hans, Alvelius, Gunvor, Chanhome, Lawan, Warrell, David A., Mebs, Dietrich, Bergman, Tomas and Tsetlin, Victor I. 2019. Novel long-chain neurotoxins from Bungarus candidus distinguish the two binding sites in muscle-type nicotinic acetylcholine receptors. Biochemical Journal 476 (8) , pp. 1285-1302. 10.1042/BCJ20180909

Valentini, Cataldo 2019. Tailoring optoelectronic properties of anthanthrene through O-, S-, and N-doping. PhD Thesis, Cardiff University.

Item availability restricted.

van Dijk, F., Teekamp, N., Post, E., Schuppan, D., Kim, Y.O., Zuidema, J., Steendam, R., Klose, Matthias H.M., Meier-Menches, Samuel M., Casini, Angela

, Horvatovich, P.L., Sijbrandi, N.J., Frijlink, H.W., Hinrichs, W.L.J., Poelstra, K., Beljaars, L. and Olinga, P. 2019. The antifibrotic potential of a sustained release formulation of a PDGFβ-receptor targeted rho kinase inhibitor. Journal of Controlled Release 296 , pp. 250-257. 10.1016/j.jconrel.2018.12.039

Varache, Mathieu

, Powell, Lydia C.

, Aarstad, Olav A., Williams, Thomas L., Wenzel, Margot N.

, Thomas, David W.

and Ferguson, Elaine L.

2019. Polymer masked-unmasked protein therapy: Identification of the active species after amylase-activation of dextrin-colistin conjugates. Molecular Pharmaceutics 16 (7) , pp. 3199-3207. 10.1021/acs.molpharmaceut.9b00393

Venezia, Baldassarre, Douthwaite, Mark, Wu, Gaowei, Sankar, Meenakshisundaram

, Ellis, Peter, Hutchings, Graham J.

and Gavriilidis, Asterios 2019. Slurry loop tubular membrane reactor for the catalysed aerobic oxidation of benzyl alcohol. Chemical Engineering Journal 378 , 122250. 10.1016/j.cej.2019.122250

Verma, S., Kumar, M., Mishra, P. K.

and Verma, A. K. 2019. Metal-free carbonyl-assisted regioselective hydration of alkynes: an access to dicarbonyls. Organic Letters 21 (13) , pp. 5059-5063. 10.1021/acs.orglett.9b01649

Vertesaljai, Peter, Serrano, Roberto, Mannchen, Michael D., Williams, Matthew, Semenova, Evgeniya and Grenning, Alexander J. 2019. Promoting thermodynamically unfavorable [3,3] rearrangements by chemoselective reduction. Organic Letters 21 (14) , pp. 5704-5707. 10.1021/acs.orglett.9b02057

Item availability restricted.

Vidal, Marta L., Feng, Xintian, Epifanovsky, Evgeny, Krylov, Anna I. and Coriani, Sonia 2019. New and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states. Journal of Chemical Theory and Computation 15 (5) , pp. 3117-3133. 10.1021/acs.jctc.9b00039

Vioglio, Paolo Cerreia, Thureau, Pierre, Juramy, Marie, Ziarelli, Fabio, Viel, Stéphane, Williams, P. Andrew, Hughes, Colan E., Harris, Kenneth D. M.

and Mollica, Giulia 2019. A strategy for probing the evolution of crystallization processes by low-temperature solid-state NMR and dynamic nuclear polarization. Journal of Physical Chemistry Letters 10 (7) , pp. 1505-1510. 10.1021/acs.jpclett.9b00306

Waldron, Conor, Cao, Enhong, Cattaneo, Stefano, Brett, Gemma L., Miedziak, Peter J., Wu, Gaowei, Meenakshisundaram, Sankar

and Gavriilidis, Asterios 2019. Three step synthesis of benzylacetone and 4-(4-methoxyphenyl)butan-2-one in flow using micropacked bed reactors. Chemical Engineering Journal 377 , 119976. 10.1016/j.cej.2018.09.137

Wallace, William 2019. Metal oxide preparation for heterogeneous catalysis. PhD Thesis, Cardiff University.

Item availability restricted.

Wang, Tao, Ibañez, Javier, Wang, Kang, Fang, Lin, Sabbe, Maarten, Michel, Carine, Paul, Sébastien, Pera-Titus, Marc and Sautet, Philippe 2019. Rational design of selective metal catalysts for alcohol amination with ammonia. Nature Catalysis 2 (9) , pp. 773-779. 10.1038/s41929-019-0327-2

Wang, Y.-C., Slater, T.J.A.

, Leteba, G.M., Roseman, A.M., Race, C.P., Young, N.P., Kirkland, A.I., Lang, C.I. and Haigh, S.J. 2019. Imaging three-dimensional elemental inhomogeneity in Pt-Ni nanoparticles using spectroscopic single particle reconstruction. Nano Letters 19 (2) , pp. 732-738. 10.1021/acs.nanolett.8b03768

Wang, Yu, Tappertzhofen, Nadine, Méndez-Sánchez, Daniel, Bawn, Maria, Lyu, Boyu, Ward, John M. and Hailes, Helen C. 2019. Design and use of de novo cascades for the biosynthesis of new benzylisoquinoline alkaloids. Angewandte Chemie International Edition 58 (30) , pp. 10120-10125. 10.1002/anie.201902761

Watson, Nathan A. I., Black, Joshua A., Stonelake, Thomas M., Knowles, Peter J.

and Beames, Joseph M

2019. An extended computational study of Criegee intermediate - alcohol reactions. Journal of Physical Chemistry A 123 (1) , pp. 218-229. 10.1021/acs.jpca.8b09349

Wenzel, Margot

, Bonsignore, Riccardo

, Thomas, Sophie, Bourissou, Didier, Barone, Giampaolo and Casini, Angela

2019. Cyclometalated AuIII complexes for cysteine arylation in zinc finger protein domains: towards controlled reductive elimination. Chemistry - A European Journal 25 (32) , pp. 7628-7634. 10.1002/chem.201901535

Wenzel, Margot N.

, Mósca, Andreia F., Graziani, Valentina, Aikman, Brech, Thomas, Sophie R., De Almeida, Andreia

, Re, Nazzareno, Coletti, Cecilia, Marrone, Alessandro, Soveral, Graça and Casini, Angela

2019. Insights into the mechanisms of aquaporin-3 inhibition by gold(III) complexes: the importance of non-coordinative adduct formation. Inorganic Chemistry 58 (3) , -. 10.1021/acs.inorgchem.8b03233

Wenzel, Margot N.

, Woods, Benjamin and Casini, Angela

2019. Supramolecular metal-based structures for applications in cancer therapy [Chapter 9]. Casini, A., Vessieres, A. and Meier-Menches, S., eds. Metal-based Anticancer Agents, Metallobiology, Royal Society of Chemistry, pp. 215-245. (10.1039/9781788016452-00215)

Willcox, Darren and Melen, Rebecca L.

2019. Illuminating Lewis acidity strength. Chem 5 (6) , pp. 1362-1363. 10.1016/j.chempr.2019.04.001

Willcox, Darren and Melen, Rebecca L.

2019. Borane-catalyzed heterocycle synthesis. Trends in Chemistry 1 (6) , pp. 625-626. 10.1016/j.trechm.2019.06.011

Wirth, Thomas

and Knight, David 2019. Morpholin-2-one derivatives via intramolecular acid-catalyzed hydroamination. SYNTHESIS 51 (07) , pp. 1643-1648. 10.1055/s-0037-1610674

Wolf, Moritz, Gibson, Emma K., Olivier, Ezra J., Neethling, Jan H., Catlow, C. Richard A.

, Fischer, Nico and Claeys, Michael 2019. In-depth characterisation of metal-support compounds in spent Co/SiO2 Fischer-Tropsch model catalysts. Catalysis Today , -. 10.1016/j.cattod.2019.01.065

Woods, Ben, Dollerer, Daniel, Aikman, Brech, Wenzel, Margot

, Sayers, Edward J.

, Kühn, Fritz E., Jones, Arwyn T.

and Casini, Angela

2019. Highly luminescent metallacages featuring bispyridyl ligands functionalised with BODIPY for imaging in cancer cells. Journal of Inorganic Biochemistry 199 , 110781. 10.1016/j.jinorgbio.2019.110781

Woods, Ben, Wenzel, Margot N.

, Williams, Thomas, Thomas, Sophie R., Jenkins, Robert L. and Casini, Angela

2019. Exo-functionalized metallacages as host-guest systems for the anticancer drug Cisplatin. Frontiers in Chemistry 7 (68) 10.3389/fchem.2019.00068

Woods, Benjamin 2019. Supramolecular Pd2L4 self-assembled coordination metallacages for use as drug delivery system for the anti-cancer drug cisplatin. PhD Thesis, Cardiff University.

Item availability restricted.

Wragg, Darren, de Almeida, Andreia

, Casini, Angela

and Leoni, Stefano

2019. Unveiling the mechanisms of aquaglyceroporin-3 water and glycerol permeation by metadynamics. Chemistry - A European Journal 25 (37) , pp. 8713-8718. 10.1002/chem.201902121

Wragg, Darren 2019. Novel computational methods for biomechanistic and metallodrug discovery. PhD Thesis, Cardiff University.

Item availability restricted.

Wu, Longfei, Longo, Alessandro, Dzade, Nelson Y.

, Sharma, Akhil, Hendrix, Marco M. R. M., Bol, Ageeth A., De Leeuw, Nora H.

, Hensen, Emiel J. M. and Hofmann, Jan Philipp 2019. The origin of high activity of amorphous MoS2 in the hydrogen evolution reaction. ChemSusChem 12 (19) , pp. 4383-4389. 10.1002/cssc.201901811

Wu, Longfei, van Hoof, Arno J. F., Dzade, Nelson Y.

, Gao, Lu, Richard, Marie-Ingrid, Friedrich, Heiner, De Leeuw, Nora H.

, Hensen, Emiel J. M. and Hofmann, Jan P. 2019. Enhancing the electrocatalytic activity of 2H-WS2 for hydrogen evolution via defect engineering. Physical Chemistry Chemical Physics 21 (11) , pp. 6071-6079. 10.1039/C9CP00722A

Wu, Longfei, Dzade, Nelson Y.

, Yu, Miao, Mezari, Brahim, van Hoof, Arno J. F., Friedrich, Heiner, de Leeuw, Nora H.

, Hensen, Emiel J. M. and Hofmann, Jan P. 2019. Unraveling the role of lithium in enhancing the hydrogen evolution activity of MoS2: intercalation versus adsorption. ACS Energy Letters 4 (7) , pp. 1733-1740. 10.1021/acsenergylett.9b00945

Xu, Shaojun, Chansai, Sarayute, Stere, Cristina, Inceesungvorn, Burapat, Goguet, Alexandre, Wangkawong, Kanlayawat, Taylor, S. F. Rebecca, Al-Janabi, Nadeen, Hardacre, Christopher, Martin, Philip A. and Fan, Xiaolei 2019. Sustaining metal–organic frameworks for water–gas shift catalysis by non-thermal plasma. Nature Catalysis 2 (2) , pp. 142-148. 10.1038/s41929-018-0206-2

Xu, Ruoyu, Kang, Liqun, Knossalla, Johannes, Mielby, Jerrik, Wang, Qiming, Wang, Bolun, Feng, Junrun, He, Guanjie

, Qin, Yudao, Xie, Jijia, Swertz, Ann-Christin, He, Qian

, Kegnæs, Søren, Brett, Dan J. L., Schüth, Ferdi and Wang, Feng Ryan 2019. Nanoporous carbon: liquid-free synthesis and geometry-dependent catalytic performance. ACS Nano 13 (2) , pp. 2463-2472. 10.1021/acsnano.8b09399

Yang, Bingyu, Leclercq, Loïc, Schmitt, Véronique, Pera Titus, Marc and Nardello-Rataj, Véronique 2019. Colloidal tectonics for tandem synergistic Pickering interfacial catalysis: oxidative cleavage of cyclohexene oxide into adipic acid. Chemical Science 10 (2) , pp. 501-507. 10.1039/C8SC03345E

Ye, Guanying, He, Qian

, Liu, Suqin, Zhao, Kuangmin, Su, Yuke, Zhu, Weiwei, Huang, Rongjiao and He, Zhen

2019. Cage-confinement of gas-phase ferrocene in zeolitic imidazolate frameworks to synthesize high-loading and atomically dispersed Fe?N codoped carbon for efficient oxygen reduction reaction. Journal of Materials Chemistry A 7 (27) , pp. 16508-16515. 10.1039/C9TA04954A

Yevglevskis, Maksims, Nathubhai, Amit, Wadda, Katty, Lee, Guat L., Al-Rawi, Suzanne, Jiao, Tingying, Mitchell, Paul J., James, Tony D., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2019. Novel 2-arylthiopropanoyl-CoA inhibitors of α-methylacyl-CoA racemase 1A (AMACR; P504S) as potential anti-prostate cancer agents. Bioorganic Chemistry 92 , 103263. 10.1016/j.bioorg.2019.103263

Yong, Yongliang, Zhou, Qingxiao, Su, Xiangying, Kuang, Yanmin, Catlow, C. Richard A.

and Li, Xiaohong 2019. Hydrogenated Si12Au20 cluster as a molecular sensor with high performance for NH3 and NO detection: A first-principle study. Journal of Molecular Liquids 289 , 111153. 10.1016/j.molliq.2019.111153

Yu, Yanke, Chen, Changwei, Ma, Mudi, Douthwaite, Mark, He, Chi, Miao, Jifa, Chen, Jinsheng and Li, Can 2019. SO2 promoted in situ recovery of thermally deactivated Fe2(SO4)3/TiO2 NH3-SCR catalysts: from experimental work to theoretical study. Chemical Engineering Journal 361 , pp. 820-829. 10.1016/j.cej.2018.12.149

Yuan, Hangkong, Li, Jerry-Peng, Su, Fangzheng, Yan, Zhen, Kusema, Bright T., Streiff, Stéphane, Huang, Yongji, Pera-Titus, Marc and Shi, Feng 2019. Reductive amination of furanic aldehydes in aqueous solution over versatile NiyAlOx catalysts. ACS Omega 4 (2) , pp. 2510-2516. 10.1021/acsomega.8b03516

Yusubov, Mekhman S., Soldatova, Natalia S., Postnikov, Pavel S., Valiev, Rashid R., Yoshimura, Akira, Wirth, Thomas

, Nemykin, Victor N. and Zhdankin, Viktor V. 2019. 2-Iodoxybenzoic acid ditriflate: the most powerful hypervalent iodine(v) oxidant. Chemical Communications 55 , pp. 7760-7763. 10.1039/C9CC04203B

Zachariou, Andrea, Hawkins, Alexander, Lennon, David, Parker, Stewart F., Suwardiyanto, -, Matam, Santhosh K., Catlow, C. Richard A.

, Collier, Paul, Hameed, Ali, McGregor, James and Howe, Russell F. 2019. Investigation of ZSM-5 catalysts for dimethylether conversion using inelastic neutron scattering. Applied Catalysis A: General 569 , pp. 1-7. 10.1016/j.apcata.2018.10.010

Zeinalipour-Yazdi, Constantinos D. and Catlow, C. Richard A.

2019. An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics 21 (40) , pp. 22331-22346. 10.1039/C9CP02968K

Zhan, Sihui, Li, Xingang, Hutchings, Graham

and Kim, Jaehong 2019. Editorial of Environmental Catalysis_18NCC. Catalysis Today 327 , p. 1. 10.1016/j.cattod.2019.01.046

Zhang, Rongxin, Xu, Shaojun, Raja, Duaa, Khusni, Nor Binti, Liu, Jinmin, Zhang, Jiaoyu, Abdulridha, Samer, Xiang, Huan, Jiang, Songshan, Guan, Yanan, Jiao, Yilai and Fan, Xiaolei 2019. On the effect of mesoporosity of FAU Y zeolites in the liquid-phase catalysis. Microporous and Mesoporous Materials 278 , pp. 297-306. 10.1016/j.micromeso.2018.12.003

Zhang, Igor Ying, Logsdail, Andrew

, Ren, Xinguo, Levchenko, Sergey V., Ghiringhelli, Luca M and Scheffler, Matthias 2019. Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations. New Journal of Physics 21 , -. 10.1088/1367-2630/aaf751

Zhao, Guolin, Hong, Bing, Bao, Bo, Zhao, Shuangliang and Pera-Titus, Marc 2019. Meso–microscale study of glycerol/dodecanol Pickering emulsions stabilized by polystyrene-grafted silica nanoparticles for interfacial catalysis. Journal of Physical Chemistry C 123 (70) , pp. 12818-12826. 10.1021/acs.jpcc.9b01876

Zhou, Yating, Patterson, Rhian, Palmer, Benjamin, Edwards-Gau, Gregory R, Kariuki, Benson

, Nambalan Sivaraman, Saleesh Kumar, Bruce, Duncan W, Dolbnya, Igor P., Collins, Stephen P, Malandain, Andrew and Harris, Kenneth D M

2019. Spatially resolved mapping of phase transitions in liquid-crystalline materials by X-ray birefringence imaging. Chemical Science 10 (10) , -. 10.1039/C8SC05285A

Zhou, Yating, Patterson, Rhian, Williams, P. Andrew, Kariuki, Benson M.

, Hughes, Colan E., Samanta, Ranita, Devarapalli, Ramesh, Reddy, C. Malla, Apperley, David C. and Harris, Kenneth D. M.

2019. Temperature-dependent structural properties, phase transition behavior, and dynamic properties of a benzene derivative in the solid state. Crystal Growth and Design 19 (4) , pp. 2155-2162. 10.1021/acs.cgd.8b01775

Zhu, Wen, Radadiya, Ashish

, Bisson, Claudine, Wenzel, Sabine, Nordin, Brian E., Martínez-Márquez, Francisco, Imasaki, Tsuyoshi, Sedelnikova, Svetlana E., Coricello, Adriana, Baumann, Patrick, Berry, Alexandria H., Nomanbhoy, Tyzoon K., Kozarich, John W., Jin, Yi

, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J.

2019. High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Communications Biology 2 , 345. 10.1038/s42003-019-0587-z

Zhu, Wen, Radadiya, Ashish

, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J.

2019. Author correction: High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Communications Biology 2 (1) , 438. 10.1038/s42003-019-0690-1

Zhu, Diya, LaFortune, James H. W., Melen, Rebecca L.

and Stephan, Douglas W. 2019. Electrophilic boron carboxylate and phosphinate complexes. Dalton Transactions 48 (6) , pp. 2038-2045. 10.1039/C8DT04818E

Zivkovic, Aleksandar

2019. Computational investigations of copper oxides for solar cell applications. PhD Thesis, Cardiff University.

Item availability restricted.

Živković, Aleksandar

, Farkas, Barbara, Uahengo, Veikko, De Leeuw, Nora H

and Dzade, Nelson Y

2019. First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications. Journal of Physics: Condensed Matter 31 (26) , -. 10.1088/1361-648X/ab111c

Živkovic, Aleksandar

2019. Density functional theory study explaining the underperformance of copper oxides as photovoltaic absorbers. Physical Review B 99 (3) , 035154. 10.1103/PhysRevB.99.035154

Zivkovic, Aleksandar

2019. Tuning the electronic band gap of Cu2O via transition metal doping for improved photovoltaic applications. Physical Review Materials 3 (11) , 115202. 10.1103/PhysRevMaterials.3.115202

2018

Abagale, Samson A., Woodcock, Christine M., Hooper, Antony M., Caulfield, John C., Withall, David, Chamberlain, Keith, Acquaah, Samuel O., Van-Emden, Helmut, Braimah, Haruna, Pickett, John A.

and Birkett, Michael A. 2018. (2R,5S)-Theaspirane Identified as the Kairomone for the Banana Weevil, Cosmopolites sordidus, from Attractive Senesced Leaves of the Host Banana, Musa spp. Chemistry - a European Journal 24 (37) , pp. 9217-9219. 10.1002/chem.201800315

Abayakoon, Palika, Jin, Yi

, Lingford, James P., Petricevic, Marija, John, Alan, Ryan, Eileen, Wai-Ying Mui, Janice, Pires, Douglas E.V., Ascher, David B., Davies, Gideon J., Goddard-Borger, Ethan D. and Williams, Spencer J. 2018. Structural and biochemical insights into the function and evolution of sulfoquinovosidases. ACS Central Science 4 (9) , pp. 1266-1273. 10.1021/acscentsci.8b00453

Abayakoon, Palika, Lingford, James P., Jin, Yi

, Bengt, Christopher, Davies, Gideon J., Yao, Shenggen, Goddard-Borger, Ethan D. and Williams, Spencer J. 2018. Discovery and characterization of a sulfoquinovose mutarotase using kinetic analysis at equilibrium by exchange spectroscopy. Biochemical Journal 475 (7) , pp. 1371-1383. 10.1042/BCJ20170947

Abis, Laura 2018. Gold and gold-palladium catalysts synthesized by a modified Sol-immobilisation method for thermal and plasmonic glycerol oxidation. PhD Thesis, Cardiff University.

Item availability restricted.

Adamik, Robert, Hernández-Ibáñez, Naiara, Iniesta, Jesus, Edwards, Jennifer

, Howe, Alexander, Armstrong, Robert, Taylor, Stuart H.

, RoldanMartinez, Alberto, Rong, Yuanyang, Malpass-Evans, Richard, Carta, Mariolino, McKeown, Neil, He, Daping and Marken, Frank 2018. Platinum nanoparticle inclusion into a carbonized polymer of intrinsic microporosity: electrochemical characteristics of a catalyst for electroless hydrogen peroxide production. Nanomaterials 8 (7) , 542. 10.3390/nano8070542

Adesina, Aduragbemi 2018. Probing the basis of catalysis of dihydrofolate reductase. PhD Thesis, Cardiff University.

Item availability restricted.

Adishev, Aldiar, Arrigo, Rosa, Baletto, Francesca, Bordet, Alexis, Bukhtiyarov, Valerii, Carosso, Michele, Catlow, Richard

, Conway, Matthew, Davies, Josh, Davies, Philip

, De Masi, Déborah, Demirci, Cansunur, Edwards, Jennifer K.

, Friend, Cynthia, Gallarati, Simone, Hargreaves, Justin, Huang, Haoliang, Hutchings, Graham

, Lai, Stanley, Lamberti, Carlo, Macino, Margherita, Marchant, David, Murayama, Toru, Odarchenko, Yaroslav, Peron, Jennifer, Prati, Laura, Quinson, Jonathan, Richards, Nia, Rogers, Scott, Russell, Andrea, Selvam, Parasuraman, Shah, Parag, Shozi, Mzamo, Skylaris, Chris-Kriton, Soulantica, Katerina, Spolaore, Federico, Tooze, Bob, Torrente-Murciano, Laura, Trunschke, Annette, Venezia, Baldassarre, Walker, James and Whiston, Keith 2018. Control of catalytic nanoparticle synthesis: general discussion. Faraday Discussions 208 , pp. 471-495. 10.1039/C8FD90015A

Agarwal, Nishtha 2018. Low temperature selective oxidation of methane using hydrogen peroxide and oxygen. PhD Thesis, Cardiff University.

Item availability restricted.

Agarwal, Nishtha, Freakley, Simon, McVicker, Rebecca, Althahban, Sultan, Dimitratos, Nikolaos

, He, Qian

, Kiely, Christopher J. and Hutchings, Graham

2018. Low temperature selective methane oxidation to methanol utilizing molecular oxygen with gold palladium colloidal catalysts. Presented at: 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, New Orleans, LA, USA, 18-22 March 2018. Abstracts of Papers of the American Chemical Society. , vol.255 American Chemical Society, p. 35.

Aher, Rahul, Bhorde, Ajinkya, Sharma, Priyanka, Nair, Shruthi, Borate, Haribhau, Pandharkar, Subhash, Rondiya, Sachin, Chaudhary, Minakshi, Gopinath, Chinnakonda, Suryawanshi, Sachin, More, Mahendra and Jadkar, Sandesh 2018. Hydrothermal synthesis of rGO–PbBi2Se4 composite and investigation of its structural, chemical and field emission properties. Journal of Materials Science: Materials in Electronics 29 (12) , pp. 10494-10503. 10.1007/s10854-018-9114-0

Ahmed, Nisar

2018. Peptide bond frmations through flow chemistry. Chemical Biology and Drug Design 91 (2) , pp. 647-650. 10.1111/cbdd.13115

Ahmed, Nisar

and Khatoon, Saira 2018. Facile electrochemical intramolecular amination of urea-tethered terminal alkenes for the synthesis of cyclic ureas. ChemistryOpen 7 (8) , pp. 576-582. 10.1002/open.201800064

Ahmed, Nisar

, Khatoon, Saira and Shirinfar, Bahareh 2018. Radical diazidation of alkenes: Cu/Fe/Mn catalysis and electrochemical support. ChemElectroChem 5 (9) , pp. 1245-1248. 10.1002/celc.201800160

Aikman, Brech, De Almeida, Andreia

, Meier-Menches, Samuel M. and Casini, Angela

2018. Aquaporins in cancer development: opportunities for bioinorganic chemistry to contribute novel chemical probes and therapeutic agents. Metallomics 10 (5) , pp. 696-712. 10.1039/C8MT00072G

Aikman, Brech, Wenzel, Margot

, Mósca, Andreia, De Almeida, Andreia

, Klooster, Wim, Coles, Simon, Soveral, Graça and Casini, Angela

2018. Gold(III) pyridine-benzimidazole complexes as aquaglyceroporin inhibitors and antiproliferative agents. Inorganics 6 (4) , 123. 10.3390/inorganics6040123

Akimenko, S. S., Fefelov, V. F., Myshlyavtsev, A. V. and Stishenko, P. V. 2018. Remnants of the devil's staircase of phase transitions in the model of dimer adsorption at nonzero temperature. Physical Review B 97 (8) , 085408. 10.1103/PhysRevB.97.085408

Al-Wafi, Haider 2018. Synthesis and biological studies of cyclic peptides. PhD Thesis, Cardiff University.

Item availability restricted.

Albalawi, Karma 2018. A double competition dialysis assay for the analysis of the distribution of optoelectronically active components over nucleic acid structures. PhD Thesis, Cardiff University.

Item availability restricted.

Alqahtani, Huda 2018. Ab initio and force field investigations of physical hydrogen adsorption in Zeolitic Imidazole Frameworks. PhD Thesis, Cardiff University.

Item availability restricted.

Alshammari, Khaled 2018. Heterogeneous catalysis using supported metal nanoparticles for environmental applications. PhD Thesis, Cardiff University.

Aniagyei, Albert, Dzade, Nelson Y.

, Tia, Richard, Adei, Evans, Catlow, C. R. A.

2018. Ab initio investigation of O2 adsorption on Ca-doped LaMnO3 cathodes in solid oxide fuel cells. Physical Chemistry Chemical Physics 20 (45) , p. 28685. 10.1039/C8CP02137F

Aparicio Sanchez, Pablo

, Dawson, James A., Islam, M. Saiful and de Leeuw, Nora H.

2018. A Computational study of NaVOPO4 polymorphs as cathode materials for Na-Ion batteries: Diffusion, electronic properties and cation doping behavior. Journal of Physical Chemistry C 122 (45) , pp. 25829-25836. 10.1021/acs.jpcc.8b07797

Armstrong, Robert, Peneau, Virginie, Ritterskamp, Nadine, Kiely, Christopher J.

2018. The role of copper speciation in the low temperature oxidative upgrading of short chain alkanes over Cu/ZSM-5 catalysts. ChemPhysChem 19 (4) , pp. 469-478. 10.1002/cphc.201701046

Arratibel, A., Pacheco Tanaka, D.A., Slater, T.J.A.

, Burnett, T.L., van Sint Annaland, M. and Gallucci, F. 2018. Unravelling the transport mechanism of pore-filled membranes for hydrogen separation. Separation and Purification Technology 203 , pp. 41-47. 10.1016/j.seppur.2018.04.016

Arrigo, Rosa, Badmus, Kassim, Baletto, Francesca, Boeije, Maurits, Brinkert, Katharina, Bugaev, Aram, Bukhtiyarov, Valerii, Carosso, Michele, Catlow, C Richard

, Chutia, Arunabhiram, Davies, Philip

, de Leeuw, Nora

, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Hargreaves, Justin, Hutchings, Graham

, Johnston, Roy, Lamberti, Carlo, Marbaix, Julien, Miranda, Caetano Rodrigues, Odarchenko, Yaroslav, Richards, Nia, Russell, Andrea, Selvam, Parasuraman, Sermon, Paul, Shah, Parag, Shevlin, Stephen, Shozi, Mzamo, Skylaris, Chris-Kriton, Soulantica, Katerina, Torrente-Murciano, Laura, Trunschke, Annette, van Santen, Rutger, Verga, Lucas Garcia, Whiston, Keith and Willock, David

2018. Theory as a driving force to understand reactions on nanoparticles: general discussion. Faraday Discussions 208 , pp. 147-185. 10.1039/C8FD90013B

Arrigo, Rosa, Logsdail, Andrew J.

and Torrente-Murciano, Laura 2018. Highlights from faraday discussion on designing nanoparticle systems for catalysis, London, UK, May 2018. Chemical Communications 54 (68) , pp. 9385-9393. 10.1039/C8CC90324G

Arroyo-Crespo, Juan J., Deladriere, Coralie, Nebot, Vicent J., Charbonnier, David, Masiá, Esther, Paul, Alison

, James, Craig

, Armiñán, Ana and Vicent, María J. 2018. Anticancer activity driven by drug linker modification in a polyglutamic acid-based combination-drug conjugate. Advanced Functional Materials 28 (22) , 1800931. 10.1002/adfm.201800931

Arvanitidis, Athanasios G., Lim, Kie Zen, Havenith, Remco W. A. and Ceulemans, Arnout 2018. Valence bonds in elongated boron clusters. International Journal of Quantum Chemistry 118 (13) , e25575. 10.1002/qua.25575

Ayres, James 2018. Exploring new synthetic routes towards cyanamides. PhD Thesis, Cardiff University.

Item availability restricted.

Ayres, James N., Williams, Matthew, Tizzard, Graham J., Coles, Simon J., Ling, Kenneth B. and Morrill, Louis C.

2018. Synthesis and reactivity of N-allenyl cyanamides. Organic Letters 20 (17) , pp. 5282-5285. 10.1021/acs.orglett.8b02225

Baashen, Mohammed, Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2018. Crystal structure of 1-phenyl-N′-(1-phenyl-5-(thiophen-2-yl)-1H-pyrazole-3-carbonyl)-5-(thiophen-2-yl)-1H-pyrazole-3-carbohydrazide, C28H20N6O2S2. Zeitschrift für Kristallographie - New Crystal Structures 233 (4) , pp. 617-619. 10.1515/ncrs-2017-0375

Bacic, Zlatko, Benoit, David, Besemer, Matthieu, Bowman, Joel, Bradforth, Stephen, Clary, David, Donovan, Robert, Fischer, Ingo, Gianturco, Francesco, Hochlaf, Majdi, Houston, Paul, Knowles, Peter

, Leone, Stephen, Linguerri, Roberto, Manthe, Uwe, McCoy, Anne B., Petersen, Jens, Richardson, Jeremy, Shan, Xiao, Slaví?ek, Petr, Stoecklin, Thierry, Szalewicz, Krzysztof, van der Avoird, Ad, Wester, Roland, Worth, Graham and Zehnacker-Rentien, Anne 2018. Precise characterisation of isolated molecules: general discussion. Faraday Discussions 212 , pp. 137-155. 10.1039/C8FD90050G

Bae, Youn Jue, Kang, Gyeongwon, Malliakas, Christos D., Nelson, Jordan N., Zhou, Jiawang, Young, Ryan M., Wu, Yi-Lin

, Van Duyne, Richard P., Schatz, George C. and Wasielewski, Michael R. 2018. Singlet Fission in 9,10-Bis(phenylethynyl)anthracene thin films. Journal of the American Chemical Society 140 (45) , pp. 15140-15144. 10.1021/jacs.8b07498

Bahruji, Hasliza, Armstrong, Robert D., Ruiz Esquius, Jonathan, Jones, Wilm, Bowker, Michael

2018. Hydrogenation of CO2 to dimethyl ether over brønsted acidic PdZn catalysts. Industrial and Engineering Chemistry Research 57 (20) , pp. 6821-6829. 10.1021/acs.iecr.8b00230

Bahruji, Hasliza, Esquius, Jonathan Ruiz, Bowker, Michael

, Armstrong, Robert D. and Jones, Wilm 2018. Correction to: Solvent free synthesis of PdZn/TiO2 catalysts for the hydrogenation of CO2 to methanol. Topics in Catalysis 10.1007/s11244-018-1081-4

Bahruji, Hasliza, Ruiz Esquius, Jonathan, Bowker, Michael

, Armstrong, Robert D. and Jones, Wilm 2018. Solvent free synthesis of PdZn/TiO2 catalysts for the hydrogenation of CO2 to methanol. Topics in Catalysis 61 (3-4) , pp. 144-153. 10.1007/s11244-018-0885-6

Baker, Anna B., Wass, Duncan F.

and Trask, Richard S. 2018. Thermally induced reversible and reprogrammable actuation of tough hydrogels utilising ionoprinting and iron coordination chemistry. Sensors and Actuators B: Chemical 254 , pp. 519-525. 10.1016/j.snb.2017.07.095

Baletto, Francesca, Boeije, Maurits, Bordet, Alexis, Brinkert, Katharina, Catlow, C. Richard A.

, Davies, Josh, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Guan, Shaoliang, Hardacre, Christopher, Hargreaves, Justin, Huang, Haoliang, Hutchings, Graham J.

, Johnston, Roy, Lai, Stanley, Lamberti, Carlo, Marbaix, Julien, Miranda, Caetano Rodrigues, Nome, Rene, Peron, Jennifer, Quinson, Jonathan, Richards, Nia, Roesch, Notker, Russell, Andrea, Said, Said, Selvam, Parasuraman, Sermon, Paul, Shozi, Mzamo, Skylaris, Chris-Kriton, Spolaore, Federico, Walkerdine, James, Whiston, Keith and Willock, David

2018. Application of new nanoparticle structures as catalysts: general discussion. Faraday Discussions 208 , pp. 575-593. 10.1039/C8FD90016G

Ballard, Andrew, Ahmad, Hiwa O., Narduolo, Stefania, Rosa, Lucy, Chand, Nikki, Cosgrove, David A., Varkonyi, Peter, Asaad, Nabil, Tomasi, Simone, Buurma, Niklaas J.

and Leach, Andrew G. 2018. Quantitative prediction of rate constants for aqueous racemization to avoid pointless stereoselective syntheses. Angewandte Chemie International Edition 57 (4) , pp. 982-985. 10.1002/anie.201709163

Behiry, Enas M., Ruiz-Pernia, J. Javier, Luk, Louis

, Tunon, Inaki, Moliner, Vicent and Allemann, Rudolf K.

2018. Isotope substitution of promiscuous alcohol dehydrogenase reveals the origin of substrate preference in the transition state. Angewandte Chemie International Edition 57 (12) , pp. 3128-3131. 10.1002/anie.201712826

Belli Dell'Amico, Daniela, Fioco, David

, Labella, Luca, Marchetti, Fabio and Samaritani, Simona 2018. Clean oxidations by iodobenzene dichloride: Platinum(IV) complexes containing triphenylphosphine. Polyhedron 145 , pp. 63-69. 10.1016/j.poly.2018.01.033

Bezzu, Caterina Grazia, Carta, Mariolino

, Ferrari, Maria-Chiara, Jansen, Johannes C., Monteleone, Marcello, Esposito, Elisa, Fuoco, Alessio, Hart, Kyle, Liyana-Arachchi, T. P., Colina, Coray M. and McKeown, Neil B. 2018. The synthesis, chain-packing simulation and long-term gas permeability of highly selective spirobifluorene-based polymers of intrinsic microporosity. Journal of Materials Chemistry A 6 (22) , pp. 10507-10514. 10.1039/C8TA02601G

Biot, Nicolas and Bonifazi, Davide

2018. Programming recognition arrays through double chalcogen-bonding interactions. Chemistry - a European Journal 24 (21) , pp. 5439-5443. 10.1002/chem.201705428

Bistoni, Giovanni, Polyak, Iakov

, Sparta, Manuel, Thiel, Walter and Neese, Frank 2018. Toward accurate QM/MM reaction barriers with large QM regions using domain based pair natural orbital coupled cluster theory. Journal of Chemical Theory and Computation 14 (7) , pp. 3524-3531. 10.1021/acs.jctc.8b00348

Black, Joshua A. and Knowles, Peter J.

2018. Quasi-variational coupled-cluster theory: Performance of perturbative treatments of connected triple excitations. Journal of Chemical Physics 148 (19) , -. 10.1063/1.5006037

Black, Joshua A. and Knowles, Peter J.

2018. Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory. Molecular Physics 116 (11) , pp. 1421-1427. 10.1080/00268976.2017.1400698

Bonifazi, Davide

, Berezin, Andrey, Battisti, Tommaso and Biot, Nicolas 2018. Oxygen-doped zig-zag molecular ribbons. Angewandte Chemie - International Edition 57 (29) , pp. 8942-8946. 10.1002/anie.201803282

Bonsignore, Riccardo

, Russo, Fabrizia, Terenzi, Alessio, Spinello, Angelo, Lauria, Antonino, Gennaro, Giuseppe, Almerico, Anna Maria, Keppler, Bernhard K. and Barone, Giampaolo 2018. The interaction of Schiff Base complexes of nickel(II) and zinc(II) with duplex and G-quadruplex DNA. Journal of Inorganic Biochemistry 178 , pp. 106-114. 10.1016/j.jinorgbio.2017.10.010

Boscutti, Giulia, Nardon, Chiara, Marchiò, Luciano, Crisma, Marco, Biondi, Barbara, Dalzoppo, Daniele, Dalla Via, Lisa, Formaggio, Fernando, Casini, Angela

and Fregona, Dolores 2018. Anticancer gold(III) peptidomimetics: from synthesis to in vitro and ex vivo biological evaluation. ChemMedChem 13 (11) , pp. 1131-1145. 10.1002/cmdc.201800098

Bowden, Bethany, Davies, Matthew

, Guan, Shaoliang, Morgan, David

, Roberts, Vaughan and Wotton, Daniel James 2018. The deposition of metal nanoparticles on carbon surfaces: the role of specific functional groups. Faraday Discussions 208 , pp. 455-470. 10.1039/C7FD00210F

Brookes, Catherine, Bowker, Michael

, Gibson, Emma K., Gianolio, Diego, Mohammed, Khaled M. H., Parry, Stephen, Rogers, Scott M., Silverwood, Ian P. and Wells, Peter 2018. Correction: In situ spectroscopic investigations of MoOx/Fe2O3 catalysts for the selective oxidation of methanol. Catalysis Science & Technology 8 (11) , p. 2998. 10.1039/C8CY90033G

Buckeridge, J., Catlow, Charles Richard A.

, Farrow, M. R., Logsdail, Andrew J.

, Scanlon, D. O., Keal, T. W., Sherwood, P., Woodley, S. M., Sokol, A. A. and Walsh, A. 2018. Deep vs shallow nature of oxygen vacancies and consequent n -type carrier concentrations in transparent conducting oxides. Physical Review Materials 2 (5) , -. 10.1103/PhysRevMaterials.2.054604

Buckingham, Mark A., Cunningham, William, Bull, Steven D., Buchard, Antoine, Folli, Andrea

and Marken, Frank 2018. Electrochemically driven C-H hydrogen abstraction processes with the tetrachloro-phthalimido-N-oxyl (Cl4PINO) catalyst. Electroanalysis 30 (8) , pp. 1698-1705. 10.1002/elan.201800147

Cadi-Essadek, Abdelaziz, Roldan Martinez, Alberto

2018. Stability and mobility of supported Nin (n = 1-10) clusters on ZrO2(111) and YSZ(111) surfaces: a density functional theory study. Faraday Discussions 208 , pp. 87-104. 10.1039/C7FD00217C

Callison, J., Subramanian, N.D., Rogers, S.M., Chutia, A., Gianolio, D., Catlow, C.R.A.

, Wells, P.P. and Dimitratos, N.

2018. Directed aqueous-phase reforming of glycerol through tailored platinum nanoparticles. Applied Catalysis B: Environmental 238 , pp. 618-628. 10.1016/j.apcatb.2018.07.008

Callison, June, Rogers, Scott, Subramanian, Nachal, Gianolio, Diegio, Catlow, Richard

, Wells, Peter and Dimitratos, Nikolaos

2018. Directed Glycerol reforming through tailored platinum nanoparticles. Presented at: 255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water, New Orleans, LA, USA, 18-22 March 2018. Abstracts of Papers of the American Chemical Society. , vol.255 American Chemical Society, p. 373.

Campisi, Sebastiano, Sanchez Trujillo, Felipe Juan, Motta, Davide, Davies, Thomas, Dimitratos, Nikolaos

and Villa, Alberto 2018. Controlling the incorporation of phosphorus functionalities on carbon nanofibers: effects on the catalytic performance of fructose dehydration. C 4 (1) , 9. 10.3390/c4010009

Cao, Qun

, Howard, Joseph L., Crawford, Deborah E., James, Stuart L. and Browne, Duncan L.

2018. Translating solid state organic synthesis from a mixer mill to a continuous twin screw extruder. Green Chemistry 20 (19) , pp. 4443-4447. 10.1039/C8GC02036A

Cao, Qun

, Howard, Joseph L., Wheatley, Emilie and Browne, Duncan L.

2018. Mechanochemical activation of zinc and application to Negishi cross-coupling. Angewandte Chemie International Edition 57 (35) , pp. 11339-11343. 10.1002/anie.201806480

Carboni, Silvia, Zucca, Antonio, Stoccoro, Sergio, Maiore, Laura, Arca, Massimiliano, Ortu, Fabrizio, Artner, Christian, Keppler, Bernhard K., Meier-Menches, Samuel M., Casini, Angela

and Cinellu, Maria Agostina 2018. New variations on the theme of gold(III) C^N^N cyclometalated complexes as anticancer agents: Synthesis and biological characterization. Inorganic Chemistry 10.1021/acs.inorgchem.8b02604

Carpenter, Barry K.

, Ezra, Gregory S., Farantos, Stavros C., Kramer, Zeb C. and Wiggins, Stephen 2018. Dynamics on the double morse potential: a paradigm for roaming reactions with no saddle points. Regular and Chaotic Dynamics 23 (1) , pp. 60-79. 10.1134/S1560354718010069

Carter, James H. and Hutchings, Graham J.

2018. Recent advances in the gold-catalysed low-temperature water-gas shift reaction. Catalysts 8 (12) , p. 627. 10.3390/catal8120627

Casini, Angela

2018. Medicinal chemistry of gold anticancer metallodrugs. Sigel, Astrid, Sigel, Helmut, Freisinger, Eva and Sigel, Roland K. O., eds. Metallo-Drugs: Development and Action of Anticancer Agents, Vol. 18. Metal Ions in Life Sciences, Walter de Gruyter GmbH, pp. 199-217.

Casini, Angela

, Bonsignore, Riccardo

and Oberkofler, Jens 2018. Organometallic gold-based anticancer therapeutics. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering, Elsevier, pp. 1-10. (10.1016/B978-0-12-409547-2.14350-1)

Catlow, C. Richard

2018. The structural science of functional materials. IUCrJ 5 (1) , pp. 1-3. 10.1107/S2052252517018474

Catlow, Charles Richard A.

and Logsdail, Andrew

2018. Computational investigation of CO adsorbed on Aux, Agx and (AuAg)x nanoclusters (x = 1-5, 147) and monometallic Au and Ag low-energy surfaces. European Physical Journal B 91 , 32. 10.1140/epjb/e2017-80280-7

Cattaneo, Stefano, Freakley, Simon, Morgan, David

, Dimitratos, Nikolaos

2018. Cinnamaldehyde hydrogenation using Au-Pd catalysts prepared by sol immobilisation. Catalysis Science and Technology 8 , pp. 1677-1685. 10.1039/C7CY02556D

Cattaneo, Stefano 2018. Towards the continuous production of supported metal nanoparticles and their application in hydrogenation reactions. PhD Thesis, Cardiff University.

Item availability restricted.

Cerrato, Erik, Gionco, Chiara, Berruti, Ilaria, Sordello, Fabrizio, Calza, Paola and Paganini, Maria Cristina 2018. Rare earth ions doped ZnO: synthesis, characterization and preliminary photoactivity assessment. Journal of Solid State Chemistry 264 , pp. 42-47. 10.1016/j.jssc.2018.05.001

Cerrato, Erik, Gionco, Chiara, Paganini, Maria Cristina, Giamello, Elio, Albanese, Elisa and Pacchioni, Gianfranco 2018. Origin of visible light photoactivity of the CeO2/ZnO heterojunction. ACS Applied Energy Materials 1 (8) , pp. 4247-4260. 10.1021/acsaem.8b00887

Cerreia Vioglio, Paolo, Mollica, Giulia, Juramy, Marie, Hughes, Colan E., Williams, P. Andrew, Ziarelli, Fabio, Viel, Stéphane, Thureau, Pierre and Harris, Kenneth D. M.

2018. Insights into the crystallization and structural evolution of glycine dihydrate by in situ solid-state NMR spectroscopy. Angewandte Chemie International Edition 57 (22) , pp. 6619-6623. 10.1002/anie.201801114

Chaffey, Dawn R., Davies, Thomas, Taylor, Stuart H.

and Graham, Andrew E. 2018. Etherification reactions of furfuryl alcohol in the presence of orthoesters and ketals: application to the synthesis of furfuryl ether biofuels. ACS Sustainable Chemistry & Engineering 6 (4) , pp. 4996-5002. 10.1021/acssuschemeng.7b04636

Cheruiyot, Duncan, Midega, Charles A.O., Van den Berg, Johnnie, Pickett, John A.

and Khan, Zeyaur R. 2018. Suitability of brachiaria grass as a trap crop for management of Chilo partellus. Entomologia Experimentalis et Applicata 166 (2) , pp. 139-148. 10.1111/eea.12651

Item availability restricted.

Cheruiyot, Duncan, Aura Odhiambo Midega, Charles, Van den Berg, Johnnie, Pickett, John A.

and Rahman Khan, Zeyaur 2018. Genotypic responses of brachiaria grass (brachiaria spp.) accessions to drought stress. Journal of Agronomy 17 (3) , pp. 136-146. 10.3923/ja.2018.136.146

Cheruiyot, Duncan, Midega, Charles A.O., Ueckermann, Edward A., Van den Berg, Johnnie, Pickett, John

and Khan, Zeyaur R. 2018. Genotypic response of brachiaria (Urochloa spp.) to spider mite (Oligonychus trichardti ) (Acari: Tetranychidae) and adaptability to different environments. Field Crops Research 225 , pp. 163-169. 10.1016/j.fcr.2018.06.011

Chi Fru, Ernest

, Kilias, Stephanos, Ivarsson, Magnus, Rattray, Jayne E., Gkika, Katerina, McDonald, Iain

, He, Qian

and Broman, Curt 2018. Sedimentary mechanisms of a modern banded iron formation on Milos Island, Greece. Solid Earth 8 10.5194/se-2017-113

Chi Fru, Ernest

, Kilias, Stephanos, Ivarsson, Magnus, Rattray, Jayne E., Gkika, Katerina, McDonald, Iain, He, Qian

and Broman, Curt 2018. Sedimentary mechanisms of a modern banded iron formation on Milos Island, Greece. Solid Earth 9 (3) , pp. 573-598. 10.5194/se-9-573-2018

Choudhuri, Khokan, Pramanik, Milan, Mandal, Arkalekha and Mal, Prasenjit 2018. S−H⋅⋅⋅π Driven Anti-Markovnikov Thiol-Yne Click Reaction. Asian Journal of Organic Chemistry 7 (9) , pp. 1849-1855. 10.1002/ajoc.201800381

Chow, Ying Kit, Dummer, Nicholas

, Carter, James, Meyer, Randall, Armstrong, Robert, Williams, Christopher, Shaw, Greg, Jacobs, Sara, Bhasin, Madan, Willock, David

2018. A kinetic study of methane partial oxidation over FeZSM-5 using N2O as an oxidant. ChemPhysChem 19 (4) , pp. 402-411. 10.1002/cphc.201701202

Chow, Ying Kit, Dummer, Nicholas F.

, Carter, James, Williams, Christopher, Shaw, Greg, Willock, David J.

, Yacob, Sarah, Meyer, Randall J., Bhasin, Madan and Hutchings, Graham John

2018. Investigating the influence of acid sites in continuous methane oxidation with N2O over Fe/MFI zeolites. Catalysis Science and Technology 2018 (8) , pp. 154-163. 10.1039/C7CY01769C

Chow, Ying Kit 2018. Continuous gas phase methane oxidation using nitrous oxide over Fe-based zeolite. PhD Thesis, Cardiff University.

Item availability restricted.

Christofidou, K.A., Pickering, E.J., Orsatti, P., Mignanelli, P.M., Slater, T.J.A.

, Stone, H.J. and Jones, N.G. 2018. On the influence of Mn on the phase stability of the CrMnxFeCoNi high entropy alloys. Intermetallics 92 , pp. 84-92. 10.1016/j.intermet.2017.09.011

Chu, J., Young, R. J., Slater, T. J. A.

, Burnett, T. L., Coburn, B. and Li, Z. 2018. Axial reinforcement of unidirectional composites by self-aligned graphene. Presented at: 18th European Conference on Composite Materials (ECCM 2018), Athens, Greece, 24-28 June 2018. Proceedings of 18th European Conference on Composite Materials. Applied Mechanics Laboratory,

Chu, J., Young, R.J., Slater, T.J.A.

, Burnett, T.L., Coburn, B., Chichignoud, L., Vuilleumier, A. and Li, Z. 2018. Realizing the theoretical stiffness of graphene in composites through confinement between carbon fibers. Composites Part A: Applied Science and Manufacturing 113 , pp. 311-317. 10.1016/j.compositesa.2018.07.032

Chutia, Arunabhiram, Willock, David J

2018. The electronic properties of Au clusters on CeO2(110) surface with and without O-defects. Faraday Discussions 208 , pp. 123-145. 10.1039/C8FD00002F

Coles, N. T.

, Mahon, M. F. and Webster, R. L. 2018. 1,1-Diphosphines and divinylphosphines via base catalyzed hydrophosphination. Chemical Communications 54 (74) , pp. 10443-10446. 10.1039/C8CC05890C

Collier, T.A., Nash, A., Birch, H.L. and De Leeuw, Nora

2018. Effect on the mechanical properties of type I collagen of intra-molecular lysine-arginine derived advanced glycation end-product cross-linking. Journal of Biomechanics 67 , pp. 55-61. 10.1016/j.jbiomech.2017.11.021

Compagnoni, Matteo, Villa, Alberto, Bahdori, Elnaz, Morgan, David

, Prati, Laura, Dimitratos, Nikolaos

, Rossetti, Ilenia and Ramis, Gianguido 2018. Surface probing by spectroscopy on titania-supported gold nanoparticles for a photoreductive application. Catalysts 8 (12) , p. 623. 10.3390/catal8120623

Constantin, Aurora, Nieva De La Hidalga, Abraham

, Hardisty, Alex

and Atkinson, Aurora 2018. Using persona as lenses for a reference model. Presented at: HCI '18 32nd International BCS Human Computer Interaction Conference, Belfast, UK, 4-6 July 2018. HCI '18 Proceedings of the 32nd International BCS Human Computer Interaction Conference. ACM Digital Library: BCS Learning & Development Ltd., Swindon, UK, 10.14236/ewic/HCI2018.138

Cosgrave, Stella 2018. Effect of organic co-solvents on the NMR chemical shifts and dynamics of dihydrofolate reductase from E. coli. MPhil Thesis, Cardiff University.

Item availability restricted.

Couzi, Michel, Guillaume, François and Harris, Kenneth D. M.

2018. A phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 5 (6) , -. 10.1098/rsos.180058

Craco, L., Freelon, B., Alafailakawi, A. M., Karki, B. and Leoni, S

2018. Site-selective electronic structure of pure and doped Ca2 O3 Fe3 S2. Physical Review B 98 (4) , -. 10.1103/PhysRevB.98.045130

Craco, L. and Leoni, S.

2018. Microscopic description of localization-delocalization transitions in BaFe2S3. Physical Review B 98 (19) , -. 10.1103/PhysRevB.98.195107

Craco, L., Pereira, T. A. da Silva, Ferreira, S. R., Carara, S. S. and Leoni, Stefano

2018. Kondo-semimetal to Fermi-liquid phase crossover in black phosphorus to pressure-induced orbital-nematic gray phosphorus. Physical Review B 98 (3) , -. 10.1103/PhysRevB.98.035114

Curran, Christopher D., Lu, Li, Kiely, Christopher J.

and McIntosh, Steven 2018. Ambient temperature aqueous synthesis of ultrasmall copper doped ceria nanocrystals for the water gas shift and carbon monoxide oxidation reactions. Journal of Materials Chemistry A 6 (1) , pp. 244-255. 10.1039/C7TA07665G

D'Agostino, Carmine, Armstrong, Robert David, Hutchings, Graham John

and Gladden, Lynn F. 2018. Product inhibition in the glycerol oxidation over Au/TiO2 catalyst quantified by NMR relaxation. ACS Catalysis 8 (8) , pp. 7334-7339. 10.1021/acscatal.8b01516

Damoyi, Nkululeko E., Friedrich, Holger B., Kruger, Gert H. and Willock, David

2018. A DFT mechanistic study of the ODH of n -hexane over isolated H 3 VO 4. Molecular Catalysis 452 , pp. 83-92. 10.1016/j.mcat.2018.03.019

Davies, Thomas Edward, Taylor, Stuart H.

and Graham, Andrew Edward 2018. Nanoporous aluminosilicate-catalyzed telescoped acetalization-direct aldol reactions of acetals with 1,3-dicarbonyl compounds. ACS Omega 3 (11) , pp. 15482-15491. 10.1021/acsomega.8b02047

Davies, Catherine, Thompson, Kate, Cooper, Anna, Golunski, Stanislaw

, Taylor, Stuart H

, Bogarra Macias, Maria, Doustdar, Omid and Tsolakis, Athanasios 2018. Simultaneous removal of NOx and soot particulate from diesel exhaust by in-situ catalytic generation and utilisation of N2O. Applied Catalysis B: Environmental 239 , pp. 10-15. 10.1016/j.apcatb.2018.07.072

Davies, Dafydd, Golunski, Stanislaw

, Johnston, Peter, Lalev, Georgi and Taylor, Stuart H.

2018. Dominant effect of support wettability on the reaction pathway for Catalytic Wet Air Oxidation over Pt and Ru nano-particle catalysts. ACS Catalysis 10.1021/acscatal.7b04039

De Cesare, Virginia, Johnson, Clare, Barlow, Victoria, Hastie, James, Knebel, Axel and Trost, Matthias 2018. The MALDI-TOF E2/E3 ligase assay as universal tool for drug discovery in the ubiquitin pathway. Cell Chemical Biology 25 (9) , pp. 1117-1127. 10.1016/j.chembiol.2018.06.004

Decarolis, Donato, Lezcano-Gonzalez, Ines, Gianolio, Diego and Beale, Andrew M. 2018. Effect of particle size and support type on Pd catalysts for 1,3-butadiene hydrogenation. Topics in Catalysis 61 (3-4) , pp. 162-174. 10.1007/s11244-018-0887-4

Di Maria, Francesca, Zangoli, Mattia, Gazzano, Massimo, Fabiano, Eduardo, Gentili, Denis, Zanelli, Alberto, Fermi, Andrea, Bergamini, Giacomo, Bonifazi, Davide

, Perinot, Andrea, Caironi, Mario, Mazzaro, Raffaello, Morandi, Vittorio, Gigli, Giuseppe, Liscio, Andrea and Barbarella, Giovanna 2018. Controlling the functional properties of oligothiophene crystalline nano/microfibers via tailoring of the self-assembling molecular precursors. Advanced Functional Materials 28 (32) , 1801946. 10.1002/adfm.201801946

Dimitratos, Nikolaos

and Villa, Alberto 2018. Metal-free functionalized carbons in catalysis: synthesis, characterization and applications. Royal Society of Chemistry.

Diwate, Kiran, Rondia, Sachin, Mayabadi, Azam, Rokade, Avinash, Waykar, Ravindra, Borate, Haribhau, Funde, Adinath, Shinde, Manish, Rajedra Prasad, M. B., Pathan, Habib and Jadkar, Sandesh 2018. Chemical spray pyrolysis synthesis of covellite copper sulphide (CuS) thin films for economical counter electrode for DSSCs. Journal of Materials Science: Materials in Electronics 29 (6) , pp. 4940-4947. 10.1007/s10854-017-8453-6

Dixon, Timothy 2018. Catalytic exhaust gas reforming of hydrocarbon fuels. PhD Thesis, Cardiff University.

Item availability restricted.

Dodekatos, Georgios, Abis, Laura, Freakley, Simon, Tüysüz, Harun and Hutchings, Graham

2018. Glycerol oxidation using MgO and Al2O3 supported gold and gold-palladium nanoparticles prepared in the absence of polymer stabilisers. ChemCatChem 10 (6) , pp. 1351-1359. 10.1002/cctc.201800074

Donovan-Sheppard, Oliver 2018. Electrochemical and shell-isolated nanoparticle enhanced Raman spectroscopy (SHINERS) approaches to probing novel catalytic nanomaterials. PhD Thesis, Cardiff University.

Item availability restricted.

Du, Jonathan J., Hanrahan, Jane R., Solomon, V. Raja, Williams, Peter A., Groundwater, Paul W., Overgaard, Jacob, Platts, James A.

and Hibbs, David E. 2018. Exploring the binding of barbital to a synthetic macrocyclic receptor. A charge density study. Journal of Physical Chemistry A 122 (11) , pp. 3031-3044. 10.1021/acs.jpca.7b11674

Du, Jonathan J., Stanton, Stephen A., Williams, Peter A., Ong, Jennifer A., Groundwater, Paul W., Overgaard, Jacob, Platts, James A.

and Hibbs, David E 2018. Using electron density to predict synthon formation in a 4-hydroxybenzoic acid : 4,4'-bipyridine co-crystal. Crystal Growth and Design 18 (3) , pp. 1786-1798. 10.1021/acs.cgd.7b01676

Du, Jonathan, Lai, Felcia, Váradi, Linda, Williams, Peter, Groundwater, Paul, Platts, James A.

, Hibbs, David and Overgaard, Jacob 2018. Monoclinic paracetamol vs. paracetamol-4,4'-bipyridine co-crystal; what is the difference? a charge density study. Crystals 8 (1) , -. 10.3390/cryst8010046

Dumon, Alexandre S., Wang, Tao, Ibañez, Javier, Tomer, Ajay, Yan, Zhen, Wischert, Raphael, Sautet, Philippe, Pera-Titus, Marc and Michel, Carine 2018. Direct n-octanol amination by ammonia on supported Ni and Pd catalysts: activity is enhanced by “spectator” ammonia adsorbates. Catalysis Science and Technology 8 (2) , pp. 611-621. 10.1039/C7CY02208E

Dürüst, Yasar, Karakus, Hamza, Kariuki, Benson M.

and Knight, David W. 2018. Some reactions of 2-(4-substitutedphenyl)-2-(N-methyl-N-4-substitutedbenzamido) acetic acids. Synthetic Communications 48 (17) , pp. 2206-2220. 10.1080/00397911.2018.1489966

Dzade, Nelson Y.

2018. Density functional theory characterization of the structures of H3AsO3 and H3AsO4 adsorption complexes on ferrihydrite. Environmental Science: Processes and Impacts 20 (6) , pp. 977-987. 10.1039/C7EM00608J

Dzade, Nelson

2018. Adsorption and desulfurization mechanism of thiophene on layered FeS (001), (011) and (111) surfaces: A DFT-D2 study. Journal of Physical Chemistry C 122 (1) , pp. 359-370. 10.1021/acs.jpcc.7b08711

Easun, Timothy L.

and Nevin, Adam C. 2018. Metal nodes and metal sites in metal-organic frameworks. Patmore, Nathan J. and Elliott, Paul I. P., eds. Organometallic Chemistry: Volume 42, Vol. 42. SPR - Organometallic Chemistry, pp. 54-79. (10.1039/9781788010672-00054)

Edwards, Peter G.

, Liyanage, Sudantha, Pothupitiya, Thusith, Wickramatunga, Lenali and Chevalier, Edith 2018. Halide and substituent dependent structural variation in copper(I) halide complexes of 1,5,9-triphosphacyclododecanes. Dalton Transactions 47 (45) , pp. 16126-16131. 10.1039/C8DT03072C

El-Hiti, Gamal A., Smith, Keith, Alamri, Mesfer, Morris, Ceri A., Kille, Peter

and Kariuki, Benson M.

2018. 5-Bromo-1-(4-bromophenyl)isatin. IUCrData 3 (3) , x180426. 10.1107/S2414314618004261

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2018. 2-({6-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]imidazo[2,1-b]thiazol-5-yl}methylidene)hydrazinecarbothioamide dimethylformamide 0.25-solvate. IUCrData 3 (1) 10.1107/S2414314618000871

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2018. (E)-1-(4-Bromophenyl)-3-[3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-en-1-one. IUCrData 3 (1) 10.1107/S241431461800069X

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2018. (E)-2-Benzoyl-3-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]acrylonitrile. IUCrData 3 (1) 10.1107/S2414314618001712

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson

2018. (E)-3-(4-Fluorophenyl)-1-[1-(4-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]prop-2-en-1-one. IUCrData 3 (1) 10.1107/S2414314617018417

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M.

2018. Ethyl 2-anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophene-3-carboxylate. IUCrData 3 (8) 10.1107/S2414314618011069

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M.

2018. Sodium 1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate. IUCrData 3 (8) 10.1107/S2414314618011276

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M.

2018. 5-Methyl-1-(4-methylphenyl)-N′-[1-(1H-pyrrol-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide monohydrate. IUCrData 3 (8) , -. 10.1107/S2414314618011628

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M.

2018. 5-Methyl-1-(4-methylphenyl)-N?-[1-(thiophen-2-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 3 (10) 10.1107/S2414314618013792

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Yousif, Emad, Hegazy, Amany S. and Kariuki, Benson M.

2018. 5-[(4-Bromophenyl)diazenyl]-2-{2-[1-(1H-indol-3-yl)ethylidene]hydrazinyl}-4-methylthiazole dimethylformamide hemisolvate. IUCrData 3 (10) 10.1107/S2414314618013780

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Khidre, Rizk E., Mostafa, Mohamed S., Hegazy, Amany S. and Kariuki, Benson M.

2018. 1-{2-Anilino-4-methyl-5-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]thiophen-3-yl}ethanone. IUCrData 3 (3) 10.1107/S2414314618004029

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Khidre, Rizk E., Mostafa, Mohamed S., Hegazy, Amany S. and Kariuki, Benson M.

2018. 4-(4-Bromophenyl)-2-(3-(4-bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole. IUCrData 3 (3) 10.1107/S2414314618004492

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Khidre, Rizk E., Mostafa, Mohamed S., Hegazy, Amany S. and Kariuki, Benson M.

2018. 4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)-1,3-thiazole. IUCrData 3 (3) 10.1107/S2414314618004431

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Mostafa, Mohamed S., Khidre, Rizk E., Hegazy, Amany S. and Kariuki, Benson M.

2018. 5-Methyl-N'-(5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbonyl)-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 3 (3) 10.1107/S2414314618004248

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Mostafa, Mohamed S., Khidre, Rizk E., Hegazy, Amany S. and Kariuki, Benson M.

2018. (E)-1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-3-(4-nitrophenyl)prop-2-en-1-one. IUCrData 3 (6) 10.1107/S2414314618008416

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Mostafa, Mohamed S., Khidre, Rizk E., Hegazy, Amany S. and Kariuki, Benson M.

2018. 2-(5-Methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-5-phenyl-1,3,4-oxadiazole. IUCrData 3 (7) 10.1107/S2414314618009665

El-Hiti, Gamal A., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson

2018. 4-(4-Bromophenyl)-2-(3-(4-chlorophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)thiazole. IUCrData 3 (1) 10.1107/S2414314618000366

El-Hiti, Gamal A., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson

2018. Ethyl (Z)-2-[2-(4-methylphenyl)hydrazin-1-ylidene]-3-oxo-3-(thiazol-2-ylamino)propanoate. IUCrData 3 (1) 10.1107/S2414314617018521

El-Hiti, Gamal A., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S and Kariuki, Benson

2018. Ethyl 1-phenyl-1,4-dihydroindeno[1,2-c]pyrazole-3-carboxylate. IUCrData 3 (1) , x171840. 10.1107/S2414314617018405

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson M.

2018. 1-(2-Bromo-4-methylphenyl)-3,3-dimethylthiourea. IUCrData 3 (1) 10.1107/S2414314618000457

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson M.

2018. Methyl N-(2-bromo-4-chlorophenyl)carbamate. IUCrData 3 (1) 10.1107/S2414314618000548

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson

2018. 1,1-Dimethyl-3-[4-(trifluoromethyl)phenyl]urea. IUCrData 3 (1) 10.1107/S2414314618000408

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson

2018. S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate. IUCrData 3 (1) 10.1107/S2414314618000299

Elsherbini, Mohamed and Wirth, Thomas

2018. Mechanochemical synthesis of N-tert-butanesulfinyl imines under metal-free conditions. Tetrahedron 74 (25) , pp. 3101-3106. 10.1016/j.tet.2017.11.028

Elsherbini, Mohamed and Wirth, Thomas

2018. Hypervalent iodine reagents by anodic oxidation: a powerful green synthesis. Chemistry - a European Journal 24 (51) , pp. 13399-13407. 10.1002/chem.201801232

Engel, Rebecca V., Alsaiari, Raiedhah, Nowicka, Ewa

, Pattisson, Samuel, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J.

2018. Oxidative carboxylation of 1-decene to 1,2-decylene carbonate. Topics in Catalysis 61 (5-6) , pp. 509-518. 10.1007/s11244-018-0900-y

Engel, Rebecca V., Niemeier, Johannes, Fink, Anja and Rose, Marcus 2018. Unravelling the mechanism of the Ru/C-catalysed isohexide and ether isomerization by hydrogen isotope exchange. Advanced Synthesis and Catalysis 360 (12) , p. 2358. 10.1002/adsc.201800058

Essadek, Abdelaziz Cadi, Roldan Martinez, Alberto

, Aparicio-Anglès, Xavier and De Leeuw, Nora H.

2018. CO2 and H2 adsorption and reaction at Nin/YSZ(111) interfaces: a density functional theory study. Journal of Physical Chemistry C 122 (34) , pp. 19463-19472. 10.1021/acs.jpcc.8b03488

Fadeeva, A. I., Gorbunov, V. A. and Stishenko, P. V. 2018. Modeling of self-assembling monolayer of terephthalic acid and iron on the copper surface: intermolecular interactions and the ground state. Presented at: 2018 International Scientific Conference on Oil and Gas Engineering (OGE), Omsk, Russian Federation, 26 February - 02 March 2018. AIP Conference Proceedings. , vol.2007 American Institute of Physics, 10.1063/1.5051848

Fancelli, Marilene, Borges, Miguel, Laumann, Raul A, Pickett, John

, Birkett, Michael A. and Blassioli-Moraes, Maria C. 2018. Attractiveness of host plant volatile extracts to the Asian citrus psyllid, diaphorina citri, is reduced by terpenoids from the non-host cashew. Journal of Chemical Ecology 44 (4) , pp. 397-405. 10.1007/s10886-018-0937-1

Farrow, Charlotte M. A., Akien, Geoffrey R., Halcovitch, Nathan R., Platts, James A.

and Coogan, M. P. 2018. Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone. Dalton Transactions 47 (11) , pp. 3906-3912. 10.1039/C7DT04744D

Feng, Ling, Chhabra, Mohit, So, Wing Ho, Zhu, Qing, Xia, Jiang and Sun, Hongyan 2018. A proximity-induced covalent fluorescent probe for selective detection of bromodomain 4. Chinese Chemical Letters 29 (7) , pp. 1147-1150. 10.1016/j.cclet.2018.05.031

Fioramonte, Mariana, de Jesus, Hugo Cesar Ramos, Ferrari, Allan Jhonathan Ramos, Lima, Diogo Borges, Drekener, Roberta Lopes, Correia, Carlos Roque Duarte, Gonzaga De Oliveira, Luciana, Neves-Ferreira, Ana Gisele da Costa, Carvalho, Paulo Costa and Gozzo, Fabio Cesar 2018. XPlex: an effective, multiplex cross-linking chemistry for acidic residues. Analytical Chemistry 90 (10) , pp. 6043-6050. 10.1021/acs.analchem.7b05135

Flack, Timothy 2018. The development of novel techniques to analyse particle diffusion in battery materials: The case of lithiated and sodiated olivine phosphates. PhD Thesis, Cardiff University.

Item availability restricted.

Fletcher, Jordan M., Horner, Katherine A., Bartlett, Gail J., Rhys, Guto G., Wilson, Andrew J. and Woolfson, Derek N. 2018. De novocoiled-coil peptides as scaffolds for disrupting protein–protein interactions. Chemical Science 9 (39) , pp. 7656-7665. 10.1039/C8SC02643B

Folgueiras-Amador, Ana A., Qian, Xiang-Yang, Xu, Haichao and Wirth, Thomas

2018. Catalyst- and supporting electrolyte-free electrosynthesis of benzothiazoles and thiazolopyridines in continuousf flow. Chemistry - A European Journal 24 (2) , pp. 487-491. 10.1002/chem.201705016

Folli, Andrea

, Bloh, Jonathan Zacharias, Armstrong, Katherine Louise, Richards, Emma

, Lu, Li, Kiely, Christopher

, Smith, Ronald I, McLaughlin, Abbie C. and Macphee, Donald E. 2018. Improving the selectivity of photocatalytic NOx abatement through improved O2 reduction pathways using Ti0.909W0.091O2Nx semiconductor nanoparticles: from characterisation to photocatalytic performance. ACS Catalysis 8 (8) , pp. 6927-6938. 10.1021/acscatal.8b00521

Fuoco, Alessio, Comesaña-Gándara, Bibiana, Longo, Mariagiulia, Esposito, Elisa, Monteleone, Marcello, Rose, Ian, Bezzu, C. Grazia, Carta, Mariolino

, McKeown, Neil B. and Jansen, Johannes C. 2018. Temperature dependence of gas permeation and diffusion in triptycene-based ultrapermeable polymers of intrinsic microporosity. ACS Applied Materials and Interfaces 10 (42) , pp. 36475-36482. 10.1021/acsami.8b13634

Galaverna, Renan, Fernandes, Lucas P., Browne, Duncan L.

and Pastre, Julio C. 2018. Continuous flow processing as a tool for the generation of terpene-derived monomer libraries. Reaction Chemistry and Engineering 4 (2) , pp. 362-367. 10.1039/C8RE00237A

Galloway, Johanna M., Senior, Laura, Fletcher, Jordan M., Beesley, Joseph L., Hodgson, Lorna R., Harniman, Robert L., Mantell, Judith M., Coombs, Jennifer, Rhys, Guto G., Xue, Wei-Feng, Mosayebi, Majid, Linden, Noah, Liverpool, Tanniemola B., Curnow, Paul, Verkade, Paul and Woolfson, Derek N. 2018. Bioinspired silicification reveals structural detail in self-assembled peptide cages. ACS Nano 12 (2) , pp. 1420-1432. 10.1021/acsnano.7b07785

Galvanin, Federico, Meenakshisundaram, Sankar

, Cattaneo, Stefano, Bethell, Donald, Dua, Vivek, Hutchings, Graham John

and Gavriilidis, Asterios 2018. On the development of kinetic models for solvent-free benzyl alcohol oxidation over a gold-palladium catalyst. Chemical Engineering Journal 342 , pp. 196-210. 10.1016/j.cej.2017.11.165

Gao, Xiang, Zheng, Cheng-hang, Sagawa, Takashi, Meenakshisundaram, Sankar

, Wu, Changyu and Tronconi, Enrico 2018. Air pollution control for a green future. Journal of Zhejiang University-SCIENCE A 19 (1) , pp. 1-4. 10.1631/jzus.A17EU001

Garner, Alistair, Baxter, Felicity, Frankel, Philipp, Topping, Matthew, Harte, Allan, Slater, Thomas

, Tejland, Pia, Romero, Javier, Darby, Edward, Cole-Baker, Aiden, Gass, Mhairi and Preuss, Michael 2018. Investigating the effect of zirconium oxide microstructure on corrosion performance: A comparison between neutron, proton, and nonirradiated oxides. Presented at: 18th International Symposium on Zirconium in the Nuclear Industry, Hilton Head, SC, US, 15-19 May 2016. Published in: Comstock, Robert J. and Motta, Arthur T. eds. Zirconium in the Nuclear Industry: 18th International Symposium. , vol.STP 15 pp. 491-523. 10.1520/STP159720160069

Garza-Sanchez, R. Aleyda, Patra, Tuhin, Tlahuext-Aca, Adrian, Strieth-Kalthoff, Felix and Glorius, Frank 2018. DMSO as a switchable alkylating agent in heteroarene C-H functionalization. Chemistry - A European Journal 24 (40) , pp. 10064-10068. 10.1002/chem.201802352

Gee, William J., Hatcher, Lauren E.

, Cameron, Christopher A., Stubbs, Clare, Warren, Mark R., Burrows, Andrew D. and Raithby, Paul R. 2018. Evaluating iodine uptake in a crystalline sponge using dynamic X-ray crystallography. Inorganic Chemistry 57 (9) , pp. 4959-4965. 10.1021/acs.inorgchem.7b03218

Geesi, Mohammed H., Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2018. Crystal structure of ethyl 4-amino-5-(5-methyl-1-(4-tolyl)-1H-1,2,3-triazole-4-carbonyl)-2-(phenylamino)thiophene-3-carboxylate, C24H23N5O3S. Zeitschrift für Kristallographie - New Crystal Structures 233 (4) , pp. 673-674. 10.1515/ncrs-2018-0002

Giles, Cicely 2018. Selective oxidation of alkyl aromatics by bimetallic heterogeneous catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Gines, Laia

, Mandal, Soumen

, Lewis, Ryan, Davies, Philip R.

, Borri, Paola

, Morley, Gavin W. and Williams, Oliver A.

2018. Production of metal-free diamond nanoparticles. ACS Omega 3 (11) , pp. 16099-16104. 10.1021/acsomega.8b02067

Gobaille-Shaw, Gael P. A., Celorrio, Veronica, Calvillo, Laura, Morris, Louis J., Granozzi, Gaetano and Fermín, David. J. 2018. Effect of Ba content on the activity of La1-x Ba x MnO3 towards the oxygen reduction reaction. ChemElectroChem 5 (14) , pp. 1922-1927. 10.1002/celc.201800052

Godfrey, Harry G. W., da Silva, Ivan, Briggs, Lydia, Carter, Joseph H., Morris, Christopher G., Savage, Mathew, Easun, Timothy L.

, Manuel, Pascal, Murray, Claire A., Tang, Chiu C., Frogley, Mark D., Cinque, Gianfelice, Yang, Sihai and Schröder, Martin 2018. Ammonia storage by reversible host-guest site exchange in a robust metal-organic framework. Angewandte Chemie International Edition 57 (45) , pp. 14778-14781. 10.1002/anie.201808316

Gómez-Hortigüela, Luis, Corà, Furio and Catlow, C. Richard A.

2018. Modeling hydrocarbon oxidation mechanisms catalyzed by microporous materials. Catlow, C. Richard A., Van Speybroek, Veronique and Van Santen, Rutger, eds. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials, Elsevier, pp. 265-295. (10.1016/B978-0-12-805057-6.00008-9)

Goswami, Subhadip, Nelson, Jordan N., Islamoglu, Timur, Wu, Yi-Lin

, Farha, Omar K. and Wasielewski, Michael R. 2018. Photoexcited naphthalene diimide radical anion linking the nodes of a metal-organic framework: a heterogeneous super-reductant. Chemistry of Materials 30 (8) , pp. 2488-2492. 10.1021/acs.chemmater.8b00720

Gregolinska, Hanna, Majewski, Marcin, Chmielewski, Piotr J., Gregolinski, Janusz, Chien, Alan, Zhou, Jiawang, Wu, Yi-Lin

, Bae, Youn Jue, Wasielewski, Michael R., Zimmerman, Paul M. and Stepien, Marcin 2018. Fully conjugated [4] chrysaorene. Redox-coupled anion binding in a tetraradicaloid macrocycle. Journal of the American Chemical Society 140 (43) , pp. 14474-14480. 10.1021/jacs.8b09385

Groves, Christopher

and Thomas, P. John 2018. Second-generation biofuels: exploring imaginaries via deliberative workshops with farmers. Journal of Responsible Innovation 5 (2) , pp. 149-169. 10.1080/23299460.2017.1422926

Groves, Lara M., Ward, Benjamin D.

, Newman, Paul D.

, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A.

2018. Synthesis and characterisation of fluorescent aminophosphines and their coordination to gold(i). Dalton Transactions 47 (28) , pp. 9324-9333. 10.1039/C8DT02256A

Guadix Montero, Susana and Meenakshisundaram, Sankar

2018. Review on catalytic cleavage of C-C inter-unit linkages in lignin model compounds: Towards lignin depolymerisation. Topics in Catalysis 61 (3-4) , pp. 183-198. 10.1007/s11244-018-0909-2

Guan, Shaoliang, Davies, Philip Rosser

, Gibson, Emma K, Lennon, David, Rossi, Giovanni E., Winfield, John, Callison, June, Wells, Peter P. and Willock, David J

2018. Structural behaviour of copper chloride catalysts during the chlorination of CO to phosgene. Faraday Discussions 208 , pp. 67-85. 10.1039/C8FD00005K

Hallett, Andrew J., Placet, Emeline, Prieux, Roxane, McCafferty, Danielle, Platts, James A.

, Lloyd, David

, Isaacs, Marc, Hayes, Anthony J., Coles, Simon J., Pitak, Mateusz B., Marchant, Sarah, Marriott, Stephen N., Allemann, Rudolf K.

, Dervisi, Athanasia

and Fallis, Ian A.

2018. Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity. Dalton Transactions 47 (40) , pp. 14241-14253. 10.1039/C8DT00669E

Hammond, Ceri

, Padovan, Daniele and Tarantino, Giulia 2018. Porous metallosilicates for heterogeneous, liquid-phase catalysis: perspectives and pertaining challenges. Royal Society Open Science 5 (2) , 171315. 10.1098/rsos.171315

Han, Jiaying, Rader, Andreas, Reichart, Florian, Aikman, Brech, Wenzel, Margot Nina

, Woods, Ben, Weinmüller, Michael, Ludwig, Beatrice S., Sturup, Stefan, Groothuis, Geny M.M., Permentier, Hjalmar P., Bischoff, Rainer, Kessler, Horst, Horvatovich, Péter and Casini, Angela

2018. Bioconjugation of supramolecular metallacages to integrin ligands for targeted delivery of cisplatin. Bioconjugate Chemistry 29 (11) , pp. 3856-3865. 10.1021/acs.bioconjchem.8b00682

Hao, Cai-Hong, Guo, Xiao-Ning, Meenakshisundaram, Sankar

, Yang, Hong, Ma, Ben, Zhang, Yue-Fei, Tong, Xi-Li, Jin, Guo-Qiang and Guo, Xiang-Yun 2018. Synergistic effect of segregated Pd and Au nanoparticles on semiconducting SiC for efficient photocatalytic hydrogenation of nitroarenes. ACS Applied Materials and Interfaces 10 (27) , pp. 23029-23036. 10.1021/acsami.8b04044

Hardie, Duncan 2018. On the subject of phase transitions and thermoelectric properties. PhD Thesis, Cardiff University.

Item availability restricted.

Hardwick, Tomas and Ahmed, Nisar

2018. Memory of chirality as a prominent pathway for the synthesis of natural products through chiral intermediates. ChemistryOpen 7 (6) , pp. 484-487. 10.1002/open.201800061

Hardwick, Tomas and Ahmed, Nisar

2018. Advances in electro- and sono-microreactors for chemical synthesis. RSC Advances 8 (39) , pp. 22233-22249. 10.1039/C8RA03406K

Hatcher, Lauren E.

2018. Understanding solid-state photoswitching in [ReĲOMe2-bpy)ĲCO)3Ĳη1-NO2)] crystals via in situ photocrystallography. CrystEngComm 20 (39) , 5990. 10.1039/C8CE00774H

Hatcher, Lauren E.

, Skelton, Jonathan M., Warren, Mark R., Stubbs, Clare, da Silva, E. Lora and Raithby, Paul R. 2018. Monitoring photo-induced population dynamics in metastable linkage isomer crystals: a crystallographic kinetic study of [Pd(Bu4dien)NO2]BPh4. Physical Chemistry Chemical Physics 20 (8) 10.1039/C7CP05422J

He, Chi, Jiang, Zeyu, Ma, Mudi, Zhang, Xiaodong, Douthwaite, Mark, Shi, Jian-Wen and Hao, Zhengping 2018. Understanding the promotional effect of Mn2O3 on micro-/mesoporous hybrid silica nanocubic-supported Pt catalysts for the low-temperature destruction of methyl ethyl ketone: An experimental and theoretical study. ACS Catalysis 8 (5) , pp. 4213-4229. 10.1021/acscatal.7b04461

Henderson, J., Masino, M., Hatcher, L. E.

, Kociok-Köhn, G., Salzillo, T., Brillante, A., Raithby, P. R., Girlando, A. and Da Como, E. 2018. New polymorphs of perylene: tetracyanoquinodimethane charge transfer cocrystals. Crystal Growth and Design 18 (4) , pp. 2003-2009. 10.1021/acs.cgd.7b01391

Hill, Stephen A., Benito-Alifonso, David, Davis, Sean A., Morgan, David J.

, Berry, Monica and Galan, M. Carmen 2018. Practical three-minute synthesis of acid-coated fluorescent carbon dots with tuneable core structure. Scientific Reports 8 , 12234. 10.1038/s41598-018-29674-2

Hokamp, Tobias, Mollari, Leonardo, Wilkins, Lewis C., Melen, Rebecca L.

and Wirth, Thomas

2018. Alternative strategies with iodine: fast access to previously inaccessible iodine(III) compounds. Angewandte Chemie International Edition 57 (27) , pp. 8306-8309. 10.1002/anie.201804642

Hou, Qing, Buckeridge, John, Lazauskas, Tomas, Mora-Fonz, David, Sokol, Alexey A., Woodley, Scott M. and Catlow, C. Richard A.

2018. Defect formation in In2O3 and SnO2: a new atomistic approach based on accurate lattice energies. Journal of Materials Chemistry. C 6 (45) , p. 12386. 10.1039/C8TC04760J

Howard, Joseph 2018. Exploring mechanochemistry for organic synthesis. PhD Thesis, Cardiff University.

Item availability restricted.

Howard, Joseph L., Brand, Michael C. and Browne, Duncan L.

2018. Switching chemoselectivity: using mechanochemistry to alter reaction kinetics. Angewandte Chemie International Edition 57 (49) , pp. 16104-16108. 10.1002/anie.201810141

Howard, Joseph L., Sagatov, Yerbol and Browne, Duncan L.

2018. Mechanochemical electrophilic fluorination of liquid beta-ketoesters. Tetrahedron 74 (25) , pp. 3118-3123. 10.1016/j.tet.2017.11.066

Howard, Joseph, Cao, Qun

and Browne, Duncan

2018. Mechanochemistry as an emerging tool for molecular synthesis: what can it offer? Chemical Science 9 (12) , pp. 3080-3094. 10.1039/C7SC05371A

Howe, Alexander 2018. Heterogeneous nanoalloyed precious metal catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Howe, Alexander, Miedziak, Peter, Morgan, David

, He, Qian

, Strasser, Peter and Edwards, Jennifer Kelly

2018. One pot microwave synthesis of highly stable AuPd@Pd supported core-shell nanoparticles. Faraday Discussions 208 , pp. 409-425. 10.1039/C8FD00004B

Hughes, Colan E, Williams, Andrew, Kariuki, Benson M

2018. Establishing the transitory existence of amorphous phases in crystallization pathways by the CLASSIC NMR technique. ChemPhysChem 19 (24) , pp. 3341-3345. 10.1002/cphc.201800976

Hughes, Colan Evan, Boughdiri, Ines, Bouakkaz, Clement, Williams, Philip Andrew and Harris, Kenneth David Maclean

2018. Elucidating the crystal structure of DL-Arginine by combined powder X-ray diffraction data analysis and periodic DFT-D calculations. Crystal Growth and Design 18 (1) , pp. 42-46. 10.1021/acs.cgd.7b01412

Hughes, Robert 2018. Analysis of conformational behaviour exhibited by dihydrofolate reductase during catalysis. PhD Thesis, Cardiff University.

Item availability restricted.

Hutchings, Graham J.

and Catlow, C. Richard

2018. Designing heterogeneous catalysts. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 474 (2216) , 20180514. 10.1098/rspa.2018.0514

Hutchings, Graham J.

, Catlow, C.R.

and Turner, Nicholas 2018. Providing sustainable catalytic solutions for a rapidly changing world [RETRACTED]. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 474 (2215) , 20180414. 10.1098/rspa.2018.0414

Hutchings, Graham J.

2018. Heterogeneous gold catalysis. ACS Central Science 4 (9) , pp. 1095-1101. 10.1021/acscentsci.8b00306

Hutchings, Graham

, Iqbal, Sarwat, Miedziak, Peter, Morgan, David

, Edwards, Jennifer

and He, Qian

2018. Selective hydrogenation of levulinic acid using Ru/C catalysts prepared by sol-immobilsation. Topics in Catalysis 61 (9-11) , pp. 833-843.

Huynh, Florence, Grundy, Daniel J., Jenkins, Robert L., Miller, David J. and Allemann, Rudolf K.

2018. Sesquiterpene synthase-catalysed formation of a new medium-sized cyclic terpenoid ether from farnesyl diphosphate analogues. Chembiochem 19 (17) , pp. 1834-1838. 10.1002/cbic.201800218

Ibáñez, J., Kusema, B. T., Paul, S. and Pera-Titus, M. 2018. Ru and Ag promoted Co/Al2O3 catalysts for the gas-phase amination of aliphatic alcohols with ammonia. Catalysis Science and Technology 8 (22) , pp. 5858-5874. 10.1039/C8CY01334A

Islam, Muhammad, Kariuki, Benson M.

, Shafiq, Zahid, Wirth, Thomas

and Ahmed, Nisar

2018. Efficient electrosynthesis of thiazolidin-2-imines via oxysulfurization of thiourea-tethered terminal alkenes using the flow microreactor. European Journal of Organic Chemistry 10.1002/ejoc.201801688

Jiang, S., Verrier, C., Ahmar, M., Lai, J., Ma, C., Muller, E., Queneau, Y., Pera-Titus, M., Jérôme, F. and De Oliveira Vigier, K. 2018. Unveiling the role of choline chloride in furfural synthesis from highly concentrated feeds of xylose. Green Chemistry 20 (22) , pp. 5104-5110. 10.1039/C8GC02260G

Jiang, Zeyu, He, Chi, Dummer, Nicholas Frank

, Shi, Jianwen, Tian, Mingjiao, Ma, Chunyan, Hao, Zhengping, Taylor, Stuart H.

, Ma, Mudi and Shen, Zhenxing 2018. Insight into the efficient oxidation of methyl-ethyl-ketone over hierarchically micro-mesostructured Pt/K-(Al)SiO 2 nanorod catalysts: Structure-activity relationships and mechanism. Applied Catalysis B: Environmental 226 , pp. 220-233. 10.1016/j.apcatb.2017.12.007

Jiao, Yilai, Adedigba, Abdul-Lateef, He, Qian

, Miedziak, Peter J., Brett, Gemma Louise, Dummer, Nicholas F.

, Perdjon, Michal

, Liu, Jinmin and Hutchings, Graham John

2018. Inter-connected and open pore hierarchical TS-1 with controlled framework titanium for catalytic cyclohexene epoxidation. Catalysis Science and Technology 8 , pp. 2211-2217. 10.1039/C7CY02571H

Jiao, Yilai, Xu, Shaojun, Jiang, Chunhai, Perdjon, Michal

, Fan, Xiaolei and Zhang, Jinsong 2018. MFI zeolite coating with intrazeolitic aluminum (acidic) gradient supported on SiC foams to improve the methanol-to-propylene (MTP) reaction. Applied Catalysis A: General 559 , pp. 1-9. 10.1016/j.apcata.2018.04.006

Jobbins, Samuel A., Boulfelfel, Salah Eddine and Leoni, Stefano

2018. Metashooting: a novel tool for free energy reconstruction from polymorphic phase transition mechanisms. Faraday Discussions 211 , pp. 235-251. 10.1039/C8FD00053K

Johnson, Luke A.

, Robertson, Angus J., Baxter, Nicola J., Trevitt, Clare R., Bisson, Claudine, Jin, Yi

, Wood, Henry P., Hounslow, Andrea M., Cliff, Matthew J., Blackburn, G. Michael, Bowler, Matthew W. and Waltho, Jonathan P. 2018. van der Waals contact between nucleophile and transferring phosphorus is insufficient to achieve enzyme transition-state architecture. ACS Catalysis 8 (9) , pp. 8140-8153. 10.1021/acscatal.8b01612

Jones, Daniel, Iqbal, Sarwat, Thomas, Liam, Ishikawa, Satoshi, Reece, Christian, Miedziak, Peter, Morgan, David

, Bartley, Jonathan

, Ueda, Wataru and Hutchings, Graham

2018. xNi–yCu–ZrO2 catalysts for the hydrogenation of levulinic acid to gamma valorlactone. Catalysis, Structure & Reactivity 4 (1) , pp. 12-23. 10.1080/2055074X.2018.1433598

Jones, Christopher 2018. Investigations of the Z-selective sesquiterpene cyclase; 7-epizingiberene synthase. PhD Thesis, Cardiff University.

Item availability restricted.

Jones, Michael, Hutchings, Graham

, Scott, John and Taylor, Stuart H.

2018. Zinc promoted alumina catalysts for the fluorination of chlorofluorocarbons. Journal of Catalysis 364 , pp. 102-111. 10.1016/j.jcat.2018.05.012

Jossou, Ericmoore, Eduok, Ubong, Dzade, Nelson Y.

, Szpunar, Barbara and Szpunar, Jerzy A. 2018. Oxidation behaviour of U3Si2: an experimental and first principles investigation. Physical Chemistry Chemical Physics 20 (7) , pp. 4708-4720. 10.1039/C7CP07154J

Jürgens, Sophie, E. Kühn, Fritz and Casini, Angela

2018. Cyclometalated complexes of platinum and gold with biological properties: state-of-the-art and future perspectives. Current Medicinal Chemistry 25 (4) , pp. 437-461. 10.2174/0929867324666170529125229

Kalash, Leen, Cresser-Brown, Joel, Habchi, Johnny, Morgan, Connor, Miller, David J., Glen, Robert C., Allemann, Rudolf K.

and Bender, Andreas 2018. Structure-based design of allosteric calpain-1 inhibitors populating a novel bioactivity space. European Journal of Medicinal Chemistry 157 , pp. 1264-1275. 10.1016/j.ejmech.2018.08.049

Kanitkar, Swarom, Carter, James H., Hutchings, Graham J.

, Ding, Kunlun and Spivey, James J. 2018. Low temperature direct conversion of methane using a solid superacid. ChemCatChem 10 (21) , pp. 5033-5038. 10.1002/cctc.201801310

Kariuki, Benson M.

2018. Asymmetric cationic phosphines: synthesis, coordination chemistry, and reactivity. Inorganic Chemistry 57 (15) , pp. 9554-9563. 10.1021/acs.inorgchem.8b01657

Kayumova, T. R. and Stishenko, P. V. 2018. Qualitative DFT study of lateral interactions between nitrogen molecules adsorbed on a V3C2 MXene sheet. Presented at: 2018 International Scientific Conference on Oil and Gas Engineering (OGE), Omsk, Russian Federation, 26 February - 02 March 2018. AIP Conference Proceedings. , vol.2007 American Institute of Physics, 020014. 10.1063/1.5051853

Keane, Lee-Ann, Mirallai, Styliana, Sweeney, Martin, Carty, Michael, Zissimou, Georgia, Berezin, Andrey, Koutentis, Panayiotis and Aldabbagh, Fawaz 2018. Anti-cancer activity of Phenyl and Pyrid-2-yl 1,3-substituted Benzo[1,2,4]triazin-7-ones and stable free radical precursors. Molecules 23 (3) , 574. 10.3390/molecules23030574

Kellici, Suela, Acord, John, Moore, Katherine E., Power, Nicholas P., Middelkoop, Vesna, Morgan, David J.

, Heil, Tobias, Coppo, Paolo, Baragau, Ioan-Alexandru and Raston, Colin L. 2018. Continuous hydrothermal flow synthesis of graphene quantum dots. Reaction Chemistry and Engineering 3 (6) , pp. 949-958. 10.1039/C8RE00158H

Kennedy, Julia

, Bahruji, Hasliza, Bowker, Michael

, Bouleghlimat, Emir and Issarapanacheewin, Sudarat 2018. Hydrogen generation by photocatalytic reforming of potential biofuels: polyols, cyclic alcohols and saccharides. Journal of Photochemistry and Photobiology A: Chemistry 356 , pp. 451-456. 10.1016/j.jphotochem.2018.01.031

Khan, Imtiaz, Reed-Berendt, Benjamin G., Melen, Rebecca L.

2018. FLP-catalyzed transfer hydrogenation of silyl enol ethers. Angewandte Chemie International Edition 57 (38) , pp. 12356-12359. 10.1002/anie.201808800

Khan, Zeyaur R., Pittchar, Jimmy O., Midega, Charles A. O. and Pickett, John A.

2018. Push-pull farming system controls fall armyworm: lessons from Africa. Outlooks on Pest Management 29 (5) , pp. 220-224. 10.1564/v29_oct_09

Khoj, Manal A., Hughes, Colan E., Harris, Kenneth D. M.

and Kariuki, Benson M.

2018. Polymorphic phase transformations of 3-chloro-trans-cinnamic acid and its solid solution with 3-bromo-trans-cinnamic acid. Acta Crystallographica Section C: Structural Chemistry 74 (8) , pp. 923-928. 10.1107/S2053229618009269

Kluza, Anna, Niedzialkowska, Ewa, Kurpiewska, Katarzyna, Wojdyla, Zuzanna, Quesne, Matthew, Kot, Ewa, Porebski, Przemyslaw J. and Borowski, Tomasz 2018. Crystal structure of thebaine 6-O-demethylase from the morphine biosynthesis pathway. Journal of Structural Biology 202 (3) , pp. 229-235. 10.1016/j.jsb.2018.01.007

Knighton, Richard C., Emerson-King, Jack, Rourke, Jonathan P.

, Ohlin, C. André and Chaplin, Adrian B. 2018. Solution, solid-state, and computational analysis of agostic interactions in a coherent set of low-coordinate rhodium(III) and iridium(III) complexes. Chemistry - A European Journal 24 (19) , pp. 4927-4938. 10.1002/chem.201705990

Koczor, Sándor, Szentkirályi, Ferenc, Vuts, József, Caulfield, John C., Withall, David M., Pickett, John

, Birkett, Michael A. and Tóth, Miklós 2018. Conspecific and heterogeneric lacewings respond to (Z)-4-tridecene identified from Chrysopa formosa (Neuroptera: Chrysopidae). Journal of Chemical Ecology 44 (2) , pp. 137-146. 10.1007/s10886-017-0920-2

Kondrat, Simon A., Smith, Paul J., Lu, Li, Bartley, Jonathan K.

, Spencer, Michael S., Kelly, Gordon J., Park, Colin W., Kiely, Christopher

2018. Preparation of a highly active ternary Cu-Zn-Al oxide methanol synthesis catalyst by supercritical CO 2 anti-solvent precipitation. Catalysis Today 317 , pp. 12-20. 10.1016/j.cattod.2018.03.046

Kormondy, Kristy J., Cho, Yujin, Posadas, Agham B., Zheng, Lu, Lai, Keji, Wang, Qingxiao, Kim, Moon J., He, Qian

, Borisevich, Albina Y., Downer, Michael C. and Demkov, Alexander A. 2018. Piezoelectric modulation of nonlinear optical response in BaTiO3 thin film. Applied Physics Letters 113 (13) , 132902. 10.1063/1.5045460

Kou, Kevin G. M., Pflueger, Jason J, Kiho, Toshihiro, Morrill, Louis C.

, Fisher, Ethan L., Clagg, Kyle, Lebold, Terry P, Kisunzu, Jessica K and Sarpong, Richmond 2018. A benzyne insertion approach to hetisine-type diterpenoid alkaloids: synthesis of cossonidine (davisine). Journal of the American Chemical Society 140 (26) , pp. 8105-8109. 10.1021/jacs.8b05043

Kumi, David O., Dlamini, Mbongiseni W., Phaahlamohlaka, Tumelo N., Mhlanga, Sabelo D., Coville, Neil J. and Scurrell, Mike S. 2018. Selective CO methanation over Ru supported on carbon spheres: the effect of carbon functionalization on the reverse water gas shift reaction. Catalysis Letters 148 (11) , 3502. 10.1007/s10562-018-2546-6

Kumi, David O., Phaahlamohlaka, Tumelo N., Dlamini, Mbongiseni W., Mangezvo, Ian T., Mhlanga, Sabelo D., Scurrell, Michael S. and Coville, Neil J. 2018. Effect of a titania covering on CNTS as support for the Ru catalysed selective CO methanation. Applied Catalysis B: Environmental 232 , pp. 492-500. 10.1016/j.apcatb.2018.02.016

Langdon-Jones, Emily E., Ward, Benjamin

and Pope, Simon

2018. Synthesis and luminescence properties of cyclometalated iridium(III) complexes incorporating conjugated benzotriazole units. Journal of Organometallic Chemistry 861 , pp. 234-243. 10.1016/j.jorganchem.2018.02.019

Lazauskas, Tomas, Sokol, Alexey A., Buckeridge, John, Catlow, C Richard A

, Escher, Susanne G. E. T., Farrow, Matthew R., Mora-Fonz, David, Blum, Volker W., Phaahla, Tshegofatso M., Chauke, Hasani R., Ngoepe, Phuti E. and Woodley, Scott M. 2018. Thermodynamically accessible titanium clusters TiN, N = 2–32. Physical Chemistry Chemical Physics 20 , pp. 13962-13973. 10.1039/C8CP00406D

Leal, Walter S., Harvey, Deborah J., Vuts, József, Hooper, Antony, Finch, Paul, Woodcock, Christine M., Caulfield, John C., Kadej, Marcin, Smolis, Adrian, Withall, David M., Henshall, Sarah, Pickett, John A.

, Gange, Alan C. and Birkett, Michael A. 2018. Environmentally vulnerable noble chafers exhibit unusual pheromone-mediated behaviour. PLoS ONE 13 (11) , e0206526. 10.1371/journal.pone.0206526

Lee, Sung Su, Kim, Young-Min, Lee, Hyun-Jae, Seo, Okkyun, Jeong, Hu Young, He, Qian

, Borisevich, Albina Y., Kang, Boyoun, Kwon, Owoong, Kang, Seunghun, Kim, Yunseok, Koo, Tae Yeong, Rhyee, Jong-Soo, Noh, Do Young, Cho, Beongki, Seo, Ji Hui, Lee, Jun Hee and Jo, Ji Young 2018. Correlation between Geometrically induced oxygen octahedral tilts and multiferroic behaviors in BiFeO3 films. Advanced Functional Materials 28 (19) , 1800839. 10.1002/adfm.201800839

Leung, P., Tsolakis, A., Golunski, Stanislaw E.

, Herreros, J.M. and Wyszynski, M.L. 2018. Using catalytic heat recovery to improve efficiency of gasoline spark ignition engines. Johnson Matthey Technology Review 62 (4) , pp. 407-416. 10.1595/205651318X15318154729616

Li, Fengqi, Li, Wei, Lin, Yong-Jun, Pickett, John

, Birkett, Michael A., Wu, Kongming, Wang, Guirong and Zhou, Jing-Jiang 2018. Expression of lima bean terpene synthases in rice enhances recruitment of a beneficial enemy of a major rice pest. Plant, Cell & Environment 41 (1) , pp. 111-120. 10.1111/pce.12959

Li, Gang, Zhao, Jianfeng, Yang, Shufan, Li, Yongxin, Rakesh, Ganguly and Zhang, Qichun 2018. Photooxidation of a twisted isoquinolinone. Chemistry - An Asian Journal 13 (3) , pp. 250-254. 10.1002/asia.201701674

Li, Weiwei, Gu, Junxing, He, Qian

, Zhang, Kelvin H. L., Wang, Chunchang, Jin, Kuijuan, Wang, Yongqiang, Acosta, Matias, Wang, Haiyan, Borisevich, Albina Y., MacManus-Driscoll, Judith L. and Yang, Hao 2018. Oxygen-vacancy-mediated dielectric property in perovskite Eu0.5Ba0.5TiO3-δ epitaxial thin films. Applied Physics Letters 112 (18) , 182906. 10.1063/1.5025607

Li, Xiaoman, Sun, Xiang, Zhang, Ling, Sun, Songmei and Wang, Wenzhong 2018. Efficient photocatalytic fixation of N2 by KOH-treated g-C3N4. Journal of Materials Chemistry A 6 (7) , pp. 3005-3011. 10.1039/c7ta09762j

Liu, Ziwei, Mariani, Angelica, Wu, Longfei, Ritson, Dougal, Folli, Andrea

and Sutherland, John 2018. Tuning the reactivity of nitriles using Cu(ii) catalysis - potentially prebiotic activation of nucleotides. Chemical Science 9 (35) , pp. 7053-7057. 10.1039/C8SC02513D

Liu, Xiaoteng, Xi, Jiabin, Xu, Ben Bin, Fang, Bo, Wang, Yucheng, Bayati, Maryam, Scott, Keith and Gao, Chao 2018. A high-performance direct methanol fuel cell technology enabled by mediating high-concentration methanol through a graphene aerogel. small methods 2 (10) , pp. 1-6. 10.1002/smtd.201800138

Liu, Yanan, McCue, Alan J., Feng, Junting, Guan, Shaoliang, Li, Dianqing and Anderson, James A. 2018. Evolution of palladium sulfide phases during thermal treatments and consequences for acetylene hydrogenation. Journal of Catalysis 364 , pp. 204-215. 10.1016/j.jcat.2018.05.018

Logsdail, Andrew J.

, Downing, Christopher A., Keal, Thomas W, Sherwood, Paul, Sokol, Alexey A. and Catlow, Charles Richard A.

2018. Hybrid-DFT modelling of lattice and surface vacancies in MnO. Journal of Physical Chemistry C 123 (13) , pp. 8133-8144. 10.1021/acs.jpcc.8b07846

Logsdail, Andrew J.

, Paz-Borbon, Lauro Oliver and Downing, Christopher A. 2018. DFT-Computed trends in the properties of bimetallic precious-metal nanoparticles with Core@shell segregation. Journal of Physical Chemistry C 122 (10) , pp. 5721-5730. 10.1021/acs.jpcc.7b10614

Loizzi, Marianna, Gonzalez Gonzalez, Veronica, Miller, David J. and Allemann, Rudolf K.

2018. Nucleophilic water capture or proton loss: single amino acid switch converts δ-Cadinene synthase into germacradien-4-ol synthase. Chembiochem 19 (1) , pp. 100-105. 10.1002/cbic.201700531

Lu, You, Farrow, Matthew R., Fayon, Pierre, Logsdail, Andrew

, Sokol, Alexey A., Catlow, C Richard A

, Sherwood, Paul and Keal, Thomas W 2018. Open-source, python-based redevelopment of the ChemShell multiscale QM/MM environment. Journal of Chemical Theory and Computation 15 (2) , pp. 1317-1328. 10.1021/acs.jctc.8b01036

Ma, Lin, Slater, Thomas

, Dowey, Patrick J., Yue, Sheng, Rutter, Ernest H., Taylor, Kevin G. and Lee, Peter D. 2018. Hierarchical integration of porosity in shales. Scientific Reports 8 (1) , 11683. 10.1038/s41598-018-30153-x

Machado, Marta A., He, Songbo, Davies, Thomas, Seshan, K. and Teixeira da Silva, Victor 2018. Renewable fuel production from hydropyrolysis of residual biomass using molybdenum carbide-based catalysts: An analytical Py-GC/MS investigation. Catalysis Today 302 , pp. 161-168. 10.1016/j.cattod.2017.06.024

Magalhães, Diego M., Borges, Miguel, Laumann, Raúl A., Woodcock, Christine M., Withall, David M., Pickett, John A.

, Birkett, Michael A. and Blassioli-Moraes, Maria C. 2018. Identification of volatile compounds involved in host location by Anthonomus grandis (Coleoptera: Curculionidae). Frontiers in Ecology and Evolution 6 , 98. 10.3389/fevo.2018.00098

Malta, Grazia, Kondrat, Simon A., Freakley, Simon J., Davies, Catherine, Dawson, Simon, Liu, Xi, Lu, Li, Dymkowski, Krzysztof, Fernandez-Alonso, F., Mukhopadhyay, Sanghamitra, Gibson, Emma Kate, Wells, Peter P., Parker, Stewart F., Kiely, Christopher J.

2018. Deactivation of a single-site gold-on-carbon acetylene hydrochlorination catalyst: An X-ray absorption and inelastic neutron scattering study. ACS Catalysis 8 (9) , pp. 8493-8505. 10.1021/acscatal.8b02232

Malta, Grazia 2018. In situ study of Au/C catalysts for the hydrochlorination of acetylene. PhD Thesis, Cardiff University.

Item availability restricted.

Mancardi, Giulia, Hernandez Tamargo, Carlos, Terranova, Umberto and De Leeuw, Nora H.

2018. Calcium phosphate deposition on planar and stepped (101) surfaces of anatase TiO2: Introducing an interatomic potential for the TiO2/Ca-PO4/Water interface. Langmuir 34 (34) , pp. 10144-10152. 10.1021/acs.langmuir.8b00984

Mandal, Soumen

, Thomas, Evan L. H., Gines, Laia

, Green, Joshua, Brousseau, Emmanuel B.

and Williams, Oliver A.

2018. Redox agent enhanced chemical mechanical polishing of thin film diamond. Carbon 130 , pp. 25-30. 10.1016/j.carbon.2017.12.077

Marquart, Wijnand, Morgan, David J.

, Claeys, Michael and Fischer, Nico 2018. Oxygenate formation over K/β-Mo2C catalysts in the Fischer-Tropsch synthesis. Catalysis Science and Technology 8 (15) , pp. 3806-3817. 10.1039/C8CY01181H

Matam, S. K., O'Malley, Alexander J., Catlow, Charles R. A.

, Suwardiyanto, Suwardiyanto, Collier, P., Hawkins, A. P., Zachariou, A., Lennon, D., Silverwood, I., Parker, S. F. and Howe, R. F. 2018. The effects of MTG catalysis on methanol mobility in ZSM-5. Catalysis Science and Technology 8 (13) , pp. 3304-3312. 10.1039/C8CY00422F

Matamoros-Veloza, Adriana, Cespedes, Oscar, Johnson, Benjamin R. G., Stawski, Tomasz M., Terranova, Umberto, de Leeuw, Nora H.

and Benning, Liane G. 2018. A highly reactive precursor in the iron sulfide system. Nature Communications 9 (1) , 3125. 10.1038/s41467-018-05493-x

Mauck, Catherine M., Bae, Youn Jue, Chen, Michelle, Powers-Riggs, Natalia, Wu, Yi-Lin

and Wasielewski, Michael R. 2018. Charge-transfer character in a covalent diketopyrrolopyrrole dimer: implications for singlet fission. Chemphotochem 2 (3) , pp. 223-233. 10.1002/cptc.201700135

Mazibuko, A F, Chauke, H R, Ngoepe, P E and Catlow, C R A

2018. Interatomic potential parameters for Li-Cl-Ti interaction. IOP Conference Series: Materials Science and Engineering 430 , 012016. 10.1088/1757-899X/430/1/012016

McGuire, Jake, Miras, Haralampos N., Donahue, James P., Richards, Emma

and Sproules, Stephen 2018. Ligand radicals as modular organic electron spin qubits. Chemistry - A European Journal 24 (66) , pp. 17598-17605. 10.1002/chem.201804165

Mehdipour, Hamid, Akimov, Alexey V., Jankowska, Joanna, Rezakhanai, Ali T., Tafreshi, Saeedeh S., de Leeuw, Nora H.

, Moshfegh, Alireza Z. and Prezhdo, Oleg V. 2018. Persistent quantum coherence and strong coupling enable fast electron transfer across the CdS/TiO2 interface: a time-domain ab initio simulation. Journal of Physical Chemistry C 122 (44) , pp. 25606-25616. 10.1021/acs.jpcc.8b06425

Melchionna, Michele, Beltram, Alessandro, Stopin, Antoine, Montini, Tiziano, Lodge, Rhys W., Khlobystov, Andrei N., Bonifazi, Davide

, Prato, Maurizio and Fornasiero, Paolo 2018. Magnetic shepherding of nanocatalysts through hierarchically-assembled Fe-filled CNTs hybrids. Applied Catalysis B: Environmental 227 , pp. 356-365. 10.1016/j.apcatb.2018.01.049

Melen, Rebecca L.

2018. Metallfreie Stickstoffaktivierung: Ein neues Kapitel in der Chemie frustrierter Lewis-Paare. Angewandte Chemie 130 (4) , pp. 890-892. 10.1002/ange.201711945

Melen, Rebecca L.

2018. A step closer to metal-free dinitrogen activation: a new chapter in the chemistry of frustrated Lewis pairs. Angewandte Chemie International Edition 57 (4) , pp. 880-882. 10.1002/anie.201711945

Melen, Rebecca

and Ould, Darren 2018. Arsenic catalysis: Hydroboration of aldehydes using a benzo-fused diaza-benzyloxy-arsole. Chemistry - A European Journal 10.1002/chem.201803508

Meng, Fanhui, Li, Xin, Shaw, Greg, Smith, Paul, Morgan, David

, Perdjon, Michal

and Li, Zhong 2018. Sacrificial carbon strategy toward enhancement of slurry methanation activity and stability over Ni-Zr/SiO2 catalyst. Industrial & Engineering Chemistry Research 57 (14) , pp. 4798-4806. 10.1021/acs.iecr.7b05157

Midega, Charles A.O., Pittchar, Jimmy O., Pickett, John

, Hailu, Girma W. and Khan, Zeyaur R. 2018. A climate-adapted push-pull system effectively controls fall armyworm, Spodoptera frugiperda (J E Smith), in maize in East Africa. Crop Protection 105 , pp. 10-15. 10.1016/j.cropro.2017.11.003

Miedziak, Peter, Edwards, Jennifer

, Knight, David, Tarbit, Brian and Hutchings, Graham

2018. Gold as a catalyst for the ring opening of 2,5-Dimethylfuran. Catalysis Letters 148 (7) , pp. 2109-2116. 10.1007/s10562-018-2415-3

Mironova, Irina A., Postnikov, Pavel S., Yusubova, Rosa Y., Yoshimura, Akira, Wirth, Thomas

, Zhdankin, Viktor V., Nemykin, Victor N. and Yusubov, Mekhman S. 2018. Preparation and X-ray structure of 2-iodoxybenzenesulfonic acid (IBS) - a powerful hypervalent iodine(V) oxidant. Beilstein Journal of Organic Chemistry 14 , pp. 1854-1858. 10.3762/bjoc.14.159

Mishra, Pawan K.

, Verma, Shalini, Kumar, Manoj and Verma, A.K. 2018. Base-mediated direct transformation of N-propargylamines into 2,3,5-trisubstituted 1 H-pyrroles. Organic Letters 20 (22) , pp. 7182-7185. 10.1021/acs.orglett.8b03112

Mitra, Tamoghna, Moreau, Florian, Nevin, Adam, Perotto, Carlo, Summerfield, Alex, Davies, E Stephen, Gibson, Elizabeth, Easun, Timothy

and Schroder, Martin 2018. Characterisation of redox states of metal-organic frameworks by growth on modified thin-film electrodes. Chemical Science 9 (31) , pp. 6572-6579. 10.1039/C8SC00803E

Mohan Verma, Anand, Kawale, Harshal D., Agrawal, Kushagra and Kishore, Nanda 2018. Quantum chemical study on gas phase pyrolysis of p-isopropenylphenol. Journal of Molecular Graphics and Modelling 81 , pp. 134-145. 10.1016/j.jmgm.2018.02.018

Monteleone, Marcello, Esposito, Elisa, Fuoco, Alessio, Lanc, Marek, Pilnácek, Krystof, Friess, Karel, Bezzu, Caterina, Carta, Mariolino

, McKeown, Neil and Jansen, Johannes 2018. A novel time lag method for the analysis of mixed gas diffusion in polymeric membranes by on-line mass spectrometry: pressure dependence of transport parameters. Membranes 8 (3) , 73. 10.3390/membranes8030073

Moragues, Alaina, Puértolas, Begoña, Mayoral, Álvaro, Arenal, Raúl, Hungría, Ana B., Murcia-Mascarós, Sonia, Taylor, Stuart H.

, Solsona, Benjamín, García, Tomás and Amorós, Pedro 2018. Understanding the role of Ti-rich domains in the stabilization of gold nanoparticles on mesoporous silica-based catalysts. Journal of Catalysis 360 , pp. 187-200. 10.1016/j.jcat.2018.02.003

Morgan, David J.

2018. Core-level spectra of powdered tungsten disulfide, WS2. Surface Science Spectra 25 (1) , 014002. 10.1116/1.5030093

Mósca, Andreia F., De Almeida, Andreia

, Wragg, Darren, Martins, Ana P., Sabir, Farzana, Leoni, Stefano

, Moura, Teresa F., Prista, Catarina, Casini, Angela

and Soveral, Graça 2018. Molecular basis of Aquaporin-7 permeability regulation by pH. Cells 7 (11) , 207. 10.3390/cells7110207

Motta, Davide, Sanchez Trujillo, Felipe Juan, Dimitratos, Nikolaos

, Villa, Alberto and Prati, Laura 2018. An investigation on AuPt and AuPt-Bi on granular carbon as catalysts for the oxidation of glycerol under continuous flow conditions. Catalysis Today 308 , pp. 50-57. 10.1016/j.cattod.2017.10.012

Mukherjee, Satobhisha, Patra, Tuhin and Glorius, Frank 2018. Cooperative catalysis: a strategy to synthesize trifluoromethyl-thioesters from aldehydes. ACS Catalysis 8 (7) , pp. 5842-5846. 10.1021/acscatal.8b01519

Mutter, Shaun T., Turner, Matthew, Deeth, Robert J. and Platts, James A.

2018. Metal binding to amyloid β1-42: a ligand field molecular dynamics study. ACS Chemical Neuroscience 9 (11) , pp. 2795-2806. 10.1021/acschemneuro.8b00210

Nardo, Viviana Mollica, Sinopoli, Alessandro, Kabalan, Lara, Ponterio, Rosina C., Saija, Franz and Trusso, Sebastiano 2018. SERS and DFT study of indigo adsorbed on silver nanostructured surface. Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 205 , pp. 465-469. 10.1016/j.saa.2018.07.059

Nash, Anthony, Collier, Thomas, Birch, Helen L. and De Leeuw, Nora

2018. ForceGen: atomic covalent bond value derivation for Gromacs. Journal of Molecular Modeling 24 (1) , 5. 10.1007/s00894-017-3530-6

Newland, Robert J., Delve, Matthew P., Wingad, Richard L. and Mansell, Stephen M. 2018. Two isomers of a bis(diphenylphosphino)phosphinine, and the synthesis and reactivity of Ru arene/Cp* phosphinophosphinine complexes. New Journal of Chemistry 42 (24) , pp. 19625-19636. 10.1039/C8NJ03632B

Nodling, Alexander R., Swiderek, Katarzyna, Castillo, Raquel, Hall, Jonathan W., Angelastro, Antonio, Morrill, Louis C.

, Jin, Yi, Tsai, Yu-Hsuan

, Moliner, Vicent and Luk, Louis Y. P.

2018. Reactivity and selectivity of iminium organocatalysis improved by a protein host. Angewandte Chemie International Edition 57 (38) , pp. 12478-12482. 10.1002/anie.201806850

Nolla-Saltiel, Roberto, Geer, Ana M., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2018. Dehydrogenation of dimethylamine-borane mediated by group 1 pincer complexes. Chemical Communications 54 (15) , pp. 1825-1828. 10.1039/C7CC08385H

Nowicka, Ewa

, Althahban, Sultan M., Luo, Yuan, Kriegel, René, Shaw, Greg, Morgan, David J.

, He, Qian

, Watanabe, Masashi, Armbrüster, Marc, Kiely, Christopher J.

2018. Highly selective PdZn/ZnO catalysts for the methanol steam reforming reaction. Catalysis Science and Technology 8 (22) , pp. 5848-5857. 10.1039/C8CY01100A

Nowicka, Ewa

, Hickey, Niamh W., Meenakshisundaram, Sankar

, Jenkins, Robert L., Knight, David W., Willock, David J.

, Francisco, Manuel and Taylor, Stuart H.

2018. Mechanistic insights into selective oxidation of polyaromatic compounds using RICO chemistry. Chemistry - A European Journal 24 (47) , pp. 12359-12369. 10.1002/chem.201800423

Nowicka, Ewa

, Reece, Christian, Althahban, Sultan M., Mohammed, Khaled M. H., Kondrat, Simon A., Morgan, David J.

, He, Qian

, Golunski, Stanislaw

, Kiely, Christopher J.

2018. Elucidating the role of CO2 in the soft oxidative dehydrogenation of propane over ceria-based catalysts. ACS Catalysis 8 , pp. 3454-3468. 10.1021/acscatal.7b03805

Nowicka, Ewa and Meenakshisundaram, Sankar

2018. Designing Pd-based supported bimetallic catalysts for environmental applications. Journal of Zhejiang University-SCIENCE A 19 (1) , pp. 5-20. 10.1631/jzus.A1700257

Nuzzo, Stefano, Twamley, Brendan, Platts, James A

and Baker, Robert J. 2018. Pseudohalide tectons within the coordination sphere of the uranyl ion: experimental and theoretical study of C-H···O, C-H···S, and chalcogenide noncovalent interactions. Inorganic Chemistry 57 (7) , pp. 3699-3712. 10.1021/acs.inorgchem.7b02967

O'Malley, Alexander J., Sarwar, M., Armstrong, J., Catlow, Charles Richard A.

, Silverwood, I. P., York, A. P. E. and Hitchcock, I. 2018. Comparing ammonia diffusion in NH3-SCR zeolite catalysts: a quasielastic neutron scattering and molecular dynamics simulation study. Physical Chemistry Chemical Physics 20 (17) , pp. 11976-11986. 10.1039/C8CP01022F

Oliveira Filho, Jaires Gomes de, Ferreira, Lorena Lopes, Silva, Fernanda de Oliveira, Menezes, Karolina Martins Ferreira, Muniz, Elen Regozino, Paula, Luiza Gabriella Ferreira de, Sarria, André Lucio Franceschini, Pickett, John Anthony

, Birkett, Michael Alexander, Mascarin, Gabriel Moura and Borges, Lígia Miranda Ferreira 2018. Persistence and efficacy of a new formulation based on dog allomonal repellents against Rhipicephalus sanguineus sensu lato tick. Revista Brasileira de Parasitologia Veterinaria 27 (3) , pp. 313-318. 10.1590/s1984-296120180054

Ortmann, John Elliott, Nookala, Nishant, He, Qian

, Gao, Lingyuan, Lin, Chungwei, Posadas, Agham, Borisevich, Albina Y., Belkin, Mikhail A. and Demkov, Alexander A. 2018. Quantum confinement in oxide heterostructures: room-temperature intersubband absorption in SrTiO3/LaAlO3 multiple quantum wells. ACS Nano 12 (8) , pp. 7682-7689. 10.1021/acsnano.8b01293

Padovan, Daniele, Botti, Luca and Hammond, Ceri

2018. Active site hydration governs the stability of Sn-Beta during continuous glucose conversion. ACS Catalysis 10.1021/acscatal.8b01759

Padovan, Daniele 2018. Continuous biomass valorisation with Sn-containing zeolite catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Pandharkar, Subhash M., Rondiya, Sachin R., Rokade, Avinash V., Gabhale, Bharat B., Pathan, Habib M. and Jadkar, Sandesh R. 2018. Synthesis and characterization of molybdenum back contact using direct current-magnetron sputtering for thin film solar cells. Frontiers in Materials 5 (13) 10.3389/fmats.2018.00013

Papadakis, Ioannis, Bouza, Zoi, Stathis, Aristeidis, Orfanos, Ioannis, Couris, Stelios, Miletic, Tanja and Bonifazi, Davide

2018. Experimental study of the structural effect on the nanosecond nonlinear optical response of O-doped polycyclic aromatic hydrocarbons (PAHs). Journal of Physical Chemistry A 122 (23) , pp. 5142-5152. 10.1021/acs.jpca.8b02737

Parmentier, Tanja, Dawson, Simon, Malta, Grazia, Lu, Li, Davies, Thomas E., Kondrat, Simon A., Freakley, Simon, Kiely, Christopher J.

2018. Homocoupling of phenylboronic acid using atomically dispersed gold on carbon catalysts: catalyst evolution before reaction. ChemCatChem 10 (8) , pp. 1853-1859. 10.1002/cctc.201701840

Paściak, M., Welberry, T. R., Kulda, J., Leoni, S.

and Hlinka, J. 2018. Dynamic displacement disorder of cubic BaTiO3. Physical Review Letters 120 (16) , -. 10.1103/PhysRevLett.120.167601

Patouossa, Issofa, Arvanitidis, Athanasios G., Tshishimbi Muya, Jules, Nguyen, Minh Tho and Ceulemans, Arnout 2018. Valence bonds in planar and quasi-planar boron disks. Physical Chemistry Chemical Physics 21 (2) , pp. 729-735. 10.1039/C8CP06749J

Patzsch, Julia, Spencer, Jacob N., Folli, Andrea

and Bloh, Jonathan Z. 2018. Grafted iron(iii) ions significantly enhance NO2 oxidation rate and selectivity of TiO2 for photocatalytic NOx abatement. RSC Advances 8 (49) , pp. 27674-27685. 10.1039/C8RA05017A

Paul, Alison

, Fallis, Ian A.

, Stokes, Emily, King, Stephen M. and Griffiths, Peter C. 2018. Structural evolution in metallomicroemulsions – the effect of increasing alcohol hydrophobicity. Dalton Transactions 47 (40) , pp. 14211-14217. 10.1039/C8DT02031K

Paulo, Bruno, Sigrist, Renata, Angolini, Célio, Eberlin, Marcos and Gonzaga de Oliveira, Luciana 2018. Gene deletion leads to improved valinomycin production by Streptomyces sp. CBMAI 2042. Journal of the Brazilian Chemical Society 30 (3) , pp. 673-679. 10.21577/0103-5053.20180207

Paulo, Bruno, Sigrist, Renata and Gonzaga De Oliveira, Luciana 2018. Avanços recentes em biossíntese combinatória de policetídeos: perspectivas e desafios Recent advances in combinatorial biosynthesis of polyketides: perspectives and challenges. Química Nova 42 (1) , pp. 71-83. 10.21577/0100-4042.20170307

Payard, Pierre?Adrien, Gu, Qingyi, Guo, Wenping, Wang, Qianran, Corbet, Matthieu, Michel, Carine, Sautet, Philippe, Grimaud, Laurence, Wischert, Raphael and Pera-Titus, Marc 2018. Direct amination of alcohols catalyzed by aluminum triflate: an experimental and computational study. Chemistry - A European Journal 24 (53) , pp. 13146-13153. 10.1002/chem.201801492

Pegg, James Thomas, Shields, Ashley, Storr, Mark, Wills, Andrew S., Scanlon, David O and De Leeuw, Nora

2018. Hidden magnetic order in plutonium dioxide nuclear fuel. Physical Chemistry Chemical Physics 20 (32) , pp. 20943-20951. 10.1039/C8CP03583K

Pelayo, J. Jesús, Valencia, Israel, García, A. Patricio, Chang, Le, López, Marta, Toffoli, Daniele, Stener, Mauro, Fortunelli, Alessandro and Garzón, Ignacio L. 2018. Chirality in bare and ligand-protected metal nanoclusters. Advances in Physics: X 3 (1) , 1509727. 10.1080/23746149.2018.1509727

Petretto, G.L., Fancello, F., Bakhy, K., Faiz, C.AL, Sibawayh, Z., Chessa, M., Zara, S., Sanna, M.L., Maldini, M., Rourke, J.P.

and Pintore, G. 2018. Chemical composition and antimicrobial activity of essential oils from Cuminum cyminum L. collected in different areas of Morocco. Food Bioscience 22 , pp. 50-58. 10.1016/j.fbio.2018.01.004

Phaahlamohlaka, Tumelo N., Dlamini, Mbongiseni W., Mogodi, Mashikoane W., Kumi, David O., Jewell, Linda L., Billing, David G. and Coville, Neil J. 2018. A sinter resistant Co Fischer-Tropsch catalyst promoted with Ru and supported on titania encapsulated by mesoporous silica. Applied Catalysis A: General 552 , pp. 129-137. 10.1016/j.apcata.2017.12.015

Phillips, Kaitlin A., Stonelake, Thomas M., Chen, Kepeng, Hou, Yuqi, Zhao, Jianzhang, Coles, Simon J., Horton, Peter N., Keane, Shannon J., Stokes, Emily C., Fallis, Ian A.

, Hallett, Andrew J., O'Kell, Sean P., Beames, Joseph M.

2018. Ligand tuneable, red-emitting iridium(III) complexes for efficient triplet-triplet annihilation upconversion performance. Chemistry - A European Journal 24 (34) , pp. 8577-8588. 10.1002/chem.201801007

Pickett, John A.

and Weston, Leslie A. 2018. Possibilities for rationally exploiting co-evolution in addressing resistance to insecticides, and beyond. Pesticide Biochemistry and Physiology 151 , pp. 18-24. 10.1016/j.pestbp.2018.03.007

Pietrzak, Barbara, Sharma, Vandana, Wasalathanthri, Dhanuka, Ellwanger, Joel Henrique, Sanganyado, Edmond, Buschke, Falko, Beardsley, Felicia Rounds, Agarwal, Divyansh, Jensen, Mark Martin, Easun, Timothy L.

, Lin, Han, Zhou, Kaile, Jordan, E. Joseph, Oda, Fernanda Suemi, MacKay, Harry, Coffey, Erin, Yoho, Rachel and Winter, Marten 2018. Nurturing connections to the environment. Science 362 (6417) , p. 886. 10.1126/science.aav9402

Platts, James A.

and Baker, Robert J. 2018. Non-covalent interactions of uranyl complexes: a theoretical study. Physical Chemistry Chemical Physics 20 (22) , pp. 15380-15388. 10.1039/C8CP02444H

Polidano, Kurt, Allen, Benjamin D. W., Williams, Jonathan M. J. and Morrill, Louis C.

2018. Iron-catalyzed methylation using the borrowing hydrogen approach. ACS Catalysis 8 , pp. 6440-6445. 10.1021/acscatal.8b02158

Pollard, Dominic J., Berger, Cedric N.

, So, Ernest C., Yu, Lu, Hadavizadeh, Kate, Jennings, Patricia, Tate, Edward W., Choudhary, Jyoti S. and Frankel, Gad 2018. Broad-spectrum regulation of nonreceptor tyrosine kinases by the bacterial ADP-ribosyltransferase EspJ. mBio 9 (2) , e00170-18. 10.1128/mBio.00170-18

Polyak, Iakov

, Jenkins, Andrew J., Vacher, Morgane, Bouduban, Marine E. F., Bearpark, Michael J. and Robb, Michael A. 2018. Charge migration engineered by localisation: electron-nuclear dynamics in polyenes and glycine. Molecular Physics 116 (19-20) , pp. 2474-2489. 10.1080/00268976.2018.1478136

Postica, Vasile, Vahl, Alexander, Strobel, Julian, Santos Carballal, David

, Lupan, Oleg, Cadi-Essadek, Abdelaziz, de Leeuw, Nora H.

, Schütt, Fabian, Polonskyi, Oleksandr, Strunskus, Thomas, Baum, Martina, Kienle, Lorenz, Adelung, Rainer and Faupel, Franz 2018. Tuning doping and surface functionalization of columnar oxide films for volatile organic compound sensing: experiments and theory. Journal of Materials Chemistry A 6 (46) , pp. 23669-23682. 10.1039/C8TA08985J

Powell, Lydia C.

, Pritchard, Manon F.

, Ferguson, Elaine L.

, Powell, Kate A.

, Patel, Shree U., Rye, Phil D., Sakellakou, Stavroula-Melina, Buurma, Niklaas J.

, Brilliant, Charles D., Copping, Jack M., Menzies, Georgina E.

, Lewis, Paul D., Hill, Katja E.

and Thomas, David W.

2018. Targeted disruption of the extracellular polymeric network of pseudomonas aeruginosa biofilms by alginate oligosaccharides. npj Biofilms and Microbiomes 4 , 13. 10.1038/s41522-018-0056-3

Pradhan, Tapas R.

, Kim, Hong Won and Park, Jin Kyoon 2018. Regiodivergent synthesis of 1,3- and 1,4-enynes through kinetically favored hydropalladation and ligand-enforced carbopalladation. Angewandte Chemie International Edition 57 (31) , pp. 9930-9935. 10.1002/anie.201805408

Pradhan, Tapas R.

, Kim, Hong Won and Park, Jin Kyoon 2018. Harnessing the polarizability of conjugated alkynes toward [2 + 2] cycloaddition, alkenylation, and ring expansion of indoles. Organic Letters 20 (17) , 5286–5290. 10.1021/acs.orglett.8b02230

Pradhan, Tapas R.

and Mohapatra, Debendra K. 2018. A synthetic study toward the core structure of (-)-apicularen A. Organic and Biomolecular Chemistry 16 (45) , pp. 8810-8818. 10.1039/C8OB02301H

Pramanik, Milan, Choudhuri, Khokan and Mal, Prasenjit 2018. N-Iodosuccinimide as bifunctional reagent in (E)-selective C(sp2)−H sulfonylation of styrenes. Asian Journal of Organic Chemistry 8 (1) , pp. 144-150. 10.1002/ajoc.201800644

Qu, Ruiyang, Macino, Margherita, Iqbal, Sarwat, Gao, Xiang, He, Qian

and Sankar, Meenakshisundaram

2018. Supported bimetallic AuPd nanoparticles as a catalyst for the selective hydrogenation of nitroarenes. Nanomaterials 8 (9) , 690. 10.3390/nano8090690

Quesne, Matthew, Roldan Martinez, Alberto

, De Leeuw, Nora

and Catlow, C Richard A

2018. Bulk and surface properties of metal carbides: implications for catalysis. Physical Chemistry Chemical Physics 20 , pp. 6905-6916. 10.1039/C7CP06336A

Rapf, Rebecca J., Perkins, Russell J., Dooley, Michael R., Kroll, Jay A., Carpenter, Barry

and Vaida, Veronica 2018. Environmental processing of lipids driven by aqueous photochemistry of α-Keto acids. ACS Central Science 4 (5) , pp. 624-630. 10.1021/acscentsci.8b00124

Raza Naqvi, Sayed Tayyab, Shirinfar, Bahareh, Majeed, Saadat, Najam-ul-Haq, Muhammad, Hussain, Dilshad, Iqbal, Tanyia and Ahmed, Nisar

2018. Synthesis, design and sensing applications of nanostructured ceria-based materials. Analyst 143 (23) , pp. 5610-5628. 10.1039/C8AN01268G

Regue, Miriam, Armstrong, Katherine, Walsh, Dominic, Richards, Emma

, Johnson, Andrew L. and Eslava, Salvador 2018. Mo-doped TiO2 photoanodes using [Ti4Mo2O8(OEt)10]2 bimetallic oxo cages as a single source precursor. Sustainable Energy & Fuels 2 (12) , pp. 2674-2686. 10.1039/C8SE00372F

Renaud, Alexis, Bonnaud, Leïla, Dumas, Ludovic, Zhang, Tao, Paint, Yoann, Fasano, Francesco, Kulyk, Olesia, Pospisilova, Eva, Nysten, Bernard, Delcorte, Arnaud, Bonifazi, Davide

, Dubois, Philippe, Olivier, Marie-Georges and Poorteman, Marc 2018. A benzoxazine/substituted borazine composite coating: A new resin for improving the corrosion resistance of the pristine benzoxazine coating applied on aluminum. European Polymer Journal 109 , p. 460. 10.1016/j.eurpolymj.2018.10.018

Renou, Michel, Vuts, József, Woodcock, Christine M., König, Lisa, Powers, Stephen J., Pickett, John A.

, Szentesi, Árpád and Birkett, Michael A. 2018. Host shift induces changes in mate choice of the seed predator Acanthoscelides obtectus via altered chemical signalling. PLoS ONE 13 (11) , e0206144. 10.1371/journal.pone.0206144

Rhys, Guto G., Wood, Christopher W., Lang, Eric J. M., Mulholland, Adrian J., Brady, R. Leo, Thomson, Andrew R. and Woolfson, Derek N. 2018. Maintaining and breaking symmetry in homomeric coiled-coil assemblies. Nature Communications 9 (1) , 4132. 10.1038/s41467-018-06391-y

Richards, Nia, Nowicka, Ewa

, Carter, James H, Morgan, David J

, Dummer, Nicholas F

, Golunski, Stanislaw

and Hutchings, Graham J

2018. Investigating the influence of Fe speciation on N2O decomposition over Fe–ZSM-5 catalysts. Topics in Catalysis 61 (18-19) , pp. 1983-1992. 10.1007/s11244-018-1024-0

Richards, Lisa A., Nash, Anthony, Phipps, Maximillian Joshua Sebastian and de Leeuw, Nora

2018. A molecular dynamics study of plasticiser migration in nitrocellulose binders. New Journal of Chemistry 42 (21) , pp. 17420-17428. 10.1039/C8NJ03464H

Richards, Lisa A., Nash, Anthony, Willetts, Andrew, Entwistle, Chris and De Leeuw, Nora

2018. Modelling water diffusion in plasticizers: development and optimization of a force field for 2,4-dinitroethylbenzene and 2,4,6-trinitroethylbenzene. RSC Advances 8 (11) , pp. 5728-5739. 10.1039/C7RA12254C

Roberts, Geraint Rhys Dafydd 2018. Superparamagnetic Iron Oxide Nanoparticles: foundations for novel bioconjugate species and multimodal contrast agents. PhD Thesis, Cardiff University.

Item availability restricted.

Robinson, Ailie, Busula, Annette O., Voets, Mirjam A., Beshir, Khalid B., Caulfield, John C., Powers, Stephen J., Verhulst, Niels O., Winskill, Peter, Muwanguzi, Julian, Birkett, Michael A., Smallegange, Renate C., Masiga, Daniel K., Mukabana, W. Richard, Sauerwein, Robert W., Sutherland, Colin J., Bousema, Teun, Pickett, John A.

, Takken, Willem, Logan, James G. and de Boer, Jetske G. 2018. Plasmodium-associated changes in human odor attract mosquitoes. Proceedings of the National Academy of Sciences 115 (18) , E4209-E4218. 10.1073/pnas.1721610115

Rocard, Lou, Wragg, Darren, Jobbins, Samuel A., Luciani, Lorenzo, Leoni, Stefano

, Wouters, Johan and Bonifazi, Davide

2018. Templated chromophore assembly on peptide scaffolds: a structural evolution. Chemistry - A European Journal , -. 10.1002/chem.201803205

Rocard, Lou 2018. Programming artificial antennas through templated assembly of chromophores. PhD Thesis, Cardiff University.

Item availability restricted.

Rogers, Owen, Pattisson, Samuel, Macginley, Joseph, Engel, Rebecca, Whiston, Keith, Taylor, Stuart H.

2018. The low temperature solvent-free aerobic oxidation of cyclohexene to cyclohexane diol over highly active Au/Graphite and Au/Graphene catalysts. Catalysts 8 (8) , p. 311. 10.3390/catal8080311

Rogers, Scott M., Catlow, Charles Richard A.

, Gianolio, Diego, Wells, Peter P. and Dimitratos, Nikolaos

2018. Supported metal nanoparticles with tailored catalytic properties through sol immobilisation: applications for the hydrogenation of nitrophenols. Faraday Discussions 208 , pp. 443-454. 10.1039/C7FD00216E

Roldan Martinez, Alberto

2018. Frontiers in first principles modelling of electrochemical simulations. Current Opinion in Electrochemistry 10 , pp. 1-6. 10.1016/j.coelec.2018.03.013

Rondiya, Sachin, Rokade, Avinash, Sharma, Priyanka, Chaudhary, Minakshi, Funde, Adinath, Jadhav, Yogesh, Haram, Santosh, Pathan, Habib and Jadkar, Sandesh 2018. CZTS/CdS: interface properties and band alignment study towards photovoltaic applications. Journal of Materials Science: Materials in Electronics 29 (5) , pp. 4201-4210. 10.1007/s10854-017-8365-5

Rucinska, Emilia, Miedziak, Peter, Pattisson, Samuel, Brett, Gemma, Iqbal, Sarwat, Morgan, David John

, Sankar, Meenakshisundaram and Hutchings, Graham

2018. Cinnamyl alcohol oxidation using supported bimetallic Au-Pd nanoparticles: an investigation of autoxidation and catalysis. Catalysis Science and Technology 8 (11) , pp. 2987-2997. 10.1039/C8CY00155C

Ruddy, Adam J., Ould, Darren M. C., Newman, Paul D.

2018. Push and pull: the potential role of boron in N2 activation. Dalton Transactions 47 (31) , pp. 10377-10381. 10.1039/C8DT01168K

Saada, Rim, AboElazayem, Omar, Kellici, Suela, Heil, Tobias, Morgan, David

, Lampronti, Giulio I. and Saha, Basudeb 2018. Greener synthesis of dimethyl carbonate using a novel tin-zirconia/graphene nanocomposite catalyst. Applied Catalysis B: Environmental 226 , pp. 451-462. 10.1016/j.apcatb.2017.12.081

Sanchez Trujillo, Felipe Juan, Alotaibi, Mohammad Hayal, Motta, Davide, Chan-Thaw, Carine Edith, Rakotomahevitra, Andrianelison, Tabanelli, Tommaso, Roldan Martinez, Alberto

, Hammond, Ceri

, He, Qian

, Davies, Thomas, Villa, Alberto and Dimitratos, Nikolaos

2018. Hydrogen production from formic acid decomposition in the liquid phase using Pd nanoparticles supported on CNFs with different surface properties. Sustainable Energy and Fuels 2 (12) , pp. 2705-2716. 10.1039/C8SE00338F

Sanchez Trujillo, Felipe Juan 2018. Investigation of the catalytic performance of palladium-based catalysts for hydrogen production from formic acid decomposition. PhD Thesis, Cardiff University.

Item availability restricted.

Sanchez Trujillo, Felipe Juan, Motta, Davide, Bocelli, Ludovica, Albonetti, Stefania, Roldan Martinez, Alberto

, Hammond, Ceri

, Villa, Alberto and Dimitratos, Nikolaos

2018. Investigation of the catalytic performance of Pd/CNFs for hydrogen evolution from additive-free formic acid decomposition. C 4 (2) , -. 10.3390/c4020026

Sanchez Trujillo, Felipe Juan, Motta, Davide, Roldan Martinez, Alberto

, Hammond, Ceri

, Villa, Alberto and Dimitratos, Nikolaos

2018. Hydrogen generation from additive-free formic acid decomposition under mild conditions by Pd/C: experimental and DFT studies. Topics in Catalysis 61 (3-4) , pp. 254-266. 10.1007/s11244-018-0894-5

Sandu, Georgiana, Coulombier, Michael, Kumar, Vishank, Kassa, Hailu G., Avram, Ionel, Ye, Ran, Stopin, Antoine, Bonifazi, Davide

, Gohy, Jean-François, Leclère, Philippe, Gonze, Xavier, Pardoen, Thomas, Vlad, Alexandru and Melinte, Sorin 2018. Kinked silicon nanowires-enabled interweaving electrode configuration for lithium-ion batteries. Scientific Reports 8 (1) , 9794. 10.1038/s41598-018-28108-3

Santos Carballal, David

, Ngoepe, Phuti E. and De Leeuw, Nora H.

2018. Ab initio investigation of the thermodynamics of cation distribution and of the electronic and magnetic structures in the LiMn2O4 spinel. Physical Review B 97 (8) , 085126. 10.1103/PhysRevB.97.085126

Santos Carballal, David

, Posada-Pérez, Sergio, Terranova, Umberto, Roldan Martinez, Alberto

, Illas, Francesc and De Leeuw, Nora

2018. CO2 interaction with violarite (FeNi2S4) surfaces: a dispersion-corrected DFT study. Physical Chemistry Chemical Physics 20 (31) , pp. 20439-20446. 10.1039/C8CP03430C

Santos-Carballal, David

, Dzade, Nelson Y.

2018. Reactivity of CO2 on the surfaces of magnetite (Fe3O4), greigite (Fe3S4) and mackinawite (FeS). Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 376 (2110) , 20170065. 10.1098/rsta.2017.0065

Saunders, Korrin, Davies, Dafydd, Golunski, Stanislaw

, Johnston, Peter and Plucinski, Pawel 2018. Making the most of precious metal nanoparticles in the purification of industrial wastewater by catalytic wet air oxidation. Johnson Matthey Technology Review 62 (4) , pp. 429-437. 10.1595/205651318X15299289846952

Saunders, Lucy K., Nowell, Harriott, Spencer, Helen C. E., Hatcher, Lauren E.

, Shepherd, Helena J., Thomas, Lynne H., Jones, Charlotte L., Teat, Simon J., Raithby, Paul R. and Wilson, Chick C. 2018. Tuning charge-assisted and weak hydrogen bonds in molecular complexes of the proton sponge DMAN by acid co-former substitution. CrystEngComm 20 (22) 10.1039/C8CE00443A

Schneider, Carolin, LaFortune, James H. W., Melen, Rebecca L.

and Stephan, Douglas W. 2018. Lewis and Brønsted basicity of phosphine-diazomethane derivatives. Dalton Transactions 47 (36) , pp. 12742-12749. 10.1039/C8DT02420K

Schotten, Christiane 2018. Investigating multistep continuous flow processes using diazonium salts. PhD Thesis, Cardiff University.

Item availability restricted.

Schotten, Christiane, Howard, Joseph L., Jenkins, Robert L., Codina, Anna and Browne, Duncan L.

2018. A continuous flow-batch hybrid reactor for commodity chemical synthesis enabled by inline NMR and temperature monitoring. Tetrahedron 74 (38) , pp. 5503-5509. 10.1016/j.tet.2018.05.070

Schotten, Christiane, Leist, Lisa G. T., Semrau, Anna Lisa and Browne, Duncan L.

2018. A machine-assisted approach for the preparation of follow-on pharmaceutical compound libraries. Reaction Chemistry and Engineering 3 (2) , pp. 210-215. 10.1039/C8RE00010G

Schwarz, Martin, Garnica, Manuela, Fasano, Francesco, Demitri, Nicola, Bonifazi, Davide

and Auwärter, Willi 2018. BN-patterning of metallic substrates through metal coordination of decoupled borazines. Chemistry - A European Journal 24 (38) , pp. 9565-9571. 10.1002/chem.201800849

Sciutto, Andrea, Berezin, Andrey, Lo Cicero, Matteo, Miletic, Tanja, Stopin, Antoine and Bonifazi, Davide

2018. Tailored synthesis of N-substituted peri-Xanthenoxanthene Diimide (PXXDI) and Monoimide (PXXMI) Scaffolds. Journal of Organic Chemistry 83 (22) , pp. 13787-13798. 10.1021/acs.joc.8b02076

Sciutto, Andrea, Fermi, Andrea, Folli, Andrea

, Battisti, Tommaso, Beames, Joseph

and Bonifazi, Davide

2018. Customizing photoredox properties of PXX-based dyes through energy level rigid shifts of frontier molecular orbitals. Chemistry - a European Journal 24 (17) , pp. 4382-4389. 10.1002/chem.201705620

Sciutto, Andrea 2018. Synthesis and optoelectronic properties of Imidic peri- xanthenoxanthene derivatives. PhD Thesis, Cardiff University.

Item availability restricted.

Sebest, Filip, Dunsford, Jay J, Adams, Matthew, Pivot, Jeremy, Newman, Paul David

and Díez-González, Silvia 2018. Ring-expanded N-heterocyclic carbenes for copper-mediated azide-alkyne Click cycloaddition reactions. ChemCatChem 10 (9) , pp. 2041-2045. 10.1002/cctc.201701992

Sedgwick, Adam C., Gardiner, Jordan E., Kim, Gyoungmi, Yevglevskis, Maksims, Lloyd, Matthew D., Jenkins, A. Toby A., Bull, Steven D., Yoon, Juyoung and James, Tony D. 2018. Long-wavelength TCF-based fluorescence probes for the detection and intracellular imaging of biological thiols. Chemical Communications 54 (38) , pp. 4786-4789. 10.1039/C8CC01661E

Shao, Dengkui, Zhang, Ling, Sun, Songmei and Wang, Wenzhong 2018. Oxygen reduction reaction for generating H2O2 through a piezo-catalytic process over bismuth oxychloride. ChemSusChem 11 (3) , pp. 527-531. 10.1002/cssc.201702405

Sharpe, Helen R., Geer, Ana M., Blundell, Toby J., Hastings, Fiona R., Fay, Michael W., Rance, Graham A., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2018. Dehydrocoupling of dimethylamine-borane promoted by manganese(II): m-terphenyl complexes. Catalysis Science & Technology 8 (1) , pp. 229-235. 10.1039/C7CY02086D

Sharpe, Helen R., Geer, Ana M., Taylor, Laurence J., Gridley, Benjamin M., Blundell, Toby J., Blake, Alexander J., Davies, E. Stephen, Lewis, William, McMaster, Jonathan, Robinson, David and Kays, Deborah L.

2018. Selective reduction and homologation of carbon monoxide by organometallic iron complexes. Nature Communications 9 (1) , 3757. 10.1038/s41467-018-06242-w

Shi, Da, Liu, Jianfang, Sun, Rui, Ji, Shengfu, Rogers, Scott M., Connolly, Bethany M., Dimitratos, Nikolaos

and Wheatley, Andrew E.H. 2018. Preparation of bifunctional Au-Pd/TiO 2 catalysts and research on methanol liquid phase one-step oxidation to methyl formate. Catalysis Today 316 , pp. 206-213. 10.1016/j.cattod.2018.01.033

Shi, Genggongwo, Yoon, Taeseung, Cha, Seoncheol, Kim, Seulgi, Yousuf, Muhammad, Ahmed, Nisar

, Kim, Doseok, Kang, Hyun-Wook and Kim, Kwang S. 2018. Turn-on and turn-off fluorescent probes for carbon monoxide detection and blood carboxyhemoglobin determination. ACS Sensors 3 (6) , pp. 1102-1108. 10.1021/acssensors.8b00083

Shirinfar, Bahareh and Ahmed, Nisar

2018. Chemical glycosylations for the synthesis of building units of post-translational modifications. Helvetica Chimica Acta 101 (1) , e1700226. 10.1002/hlca.201700226

shirinfar, bahareh, Seema, Humaira and Ahmed, Nisar

2018. Charged probes: turn-on selective fluorescence for RNA. Organic & Biomolecular Chemistry 2018 (16) , pp. 164-168. 10.1039/C7OB02423A

Silva, Filipa, Baker, Alastair, Stansall, James, Michalska, Weronika, Yusubov, Mehkman, Graz, Michael, Saunders, Robert, Evans, Gareth J. S. and Wirth, Thomas

2018. Selective oxidation of sulfides in flow chemistry. European Journal of Organic Chemistry 2018 (18) , pp. 2134-2137. 10.1002/ejoc.201800339

Silva, Filipa, Khokhar, Shaista S., Williams, Danielle M., Saunders, Robert, Evans, Gareth J. S., Graz, Michael and Wirth, Thomas

2018. Short total synthesis of ajoene. Angewandte Chemie International Edition 57 (38) , pp. 12290-12293. 10.1002/anie.201808605

Singh, Fateh V. and Wirth, Thomas

2018. Stereoselective reactions. PATAI's Chemistry of Functional Groups, John Wiley, (10.1002/9780470682531.pat0957)

Singha, Santanu, Patra, Tuhin, Daniliuc, Constantin G. and Glorius, Frank 2018. Highly enantioselective [5 + 2] annulations through cooperative N-heterocyclic carbene (NHC) organocatalysis and palladium catalysis. Journal of the American Chemical Society 140 (10) , pp. 3551-3554. 10.1021/jacs.8b00868

Smith, Keith, Al-Zuhairi, Ali J., Elliott, Mark C.

and El-Hiti, Gamal A. 2018. Regioselective synthesis of important chlorophenols in the presence of methylthioalkanes with remote SMe, OMe or OH substituents. Journal of Sulfur Chemistry 39 (6) , pp. 607-621. 10.1080/17415993.2018.1493111

Smith, Keith, Alshammari, Mohammed and El-Hiti, Gamal 2018. Unravelling factors affecting directed lithiation of acylaminoaromatics. Synthesis 50 (18) , pp. 3634-3652. 10.1055/s-0036-1591954

So, Wing Ho, Wong, Clarence T.T. and Xia, Jiang 2018. Peptide photocaging: A brief account of the chemistry and biological applications. Chinese Chemical Letters 29 (7) , pp. 1058-1062. 10.1016/j.cclet.2018.05.015

Soldatova, Natalia, Postnikov, Pavel, Kukurina, Olga, Zhdankin, Viktor V, Yoshimura, Akira, Wirth, Thomas

and Yusubov, Mekhman S 2018. One-pot synthesis of diaryliodonium salts from arenes and aryl iodides with Oxone-sulfuric acid. Beilstein Journal of Organic Chemistry 14 , pp. 849-855. 10.3762/bjoc.14.70

Soltani, Yashar, Adams, Samuel J., Boerger, Jennifer, Wilkins, Lewis C., Newman, Paul D.

2018. Synthesis and photophysical properties of imine borane adducts towards vapochromic materials. Dalton Transactions 47 (36) , pp. 12656-12660. 10.1039/C8DT03019G

Soltani, Yashar 2018. Novel main group Lewis acids for synthetic and catalytic transformations. PhD Thesis, Cardiff University.

Item availability restricted.

Spencer, Jacob, Folli, Andrea

2018. Applications of electron paramagnetic resonance spectroscopy for interrogating catalytic systems. Chechik, Victor and Murphy, Damien M, eds. Electron Paramagnetic Resonance, Vol. 26. Royal Society of Chemistry, pp. 130-170. (10.1039/9781788013888-00130)

Spencer, Jacob, Stevens, James, Perry, Christopher and Murphy, Damien M.

2018. An EPR investigation of binding environments by N-donor chelating exchange resins for Cu extraction from aqueous media. Inorganic Chemistry 57 (17) , pp. 10857-10866. 10.1021/acs.inorgchem.8b01519

Spreckelmeyer, Sarah, van der Zee, Margot, Bertrand, Benoît, Bodio, Ewen, Stürup, Stefan and Casini, Angela

2018. Relevance of copper and organic cation transporters in the activity and transport mechanisms of an anticancer cyclometallated gold(III) compound in comparison to cisplatin. Frontiers in Chemistry 6 , 377. 10.3389/fchem.2018.00377

Sprung, Christoph, Redekop, Evgeniy A., Armstrong, Robert and Tsakoumis, Nikolaos E. 2018. Midnight-sun-induced natural gas conversion. Catalysis Today 299 , pp. 2-9. 10.1016/j.cattod.2017.01.003

Srivastava, Prabhakar Lal

2018. Recent highlights of RNA sequencing approaches for in-depth understanding of plant metabolic engineering. Yadav, Sudesh Kumar, Kumar, Vinay and Singh, Sudhir P., eds. Recent Trends and Techniques in Plant Metabolic Engineering, Springer, Singapore, pp. 63-74. (10.1007/978-981-13-2251-8_4)

Srivastava, Prabhakar Lal

, Shukla, Anurag and Kalunke, Raviraj M. 2018. Comprehensive metabolic and transcriptomic profiling of various tissues provide insights for saponin biosynthesis in the medicinally important Asparagus racemosus. Scientific Reports 8 (1) , 9098. 10.1038/s41598-018-27440-y

Sun, Songmei, Watanabe, Motonori, Wu, Ji, An, Qi and Ishihara, Tatsumi 2018. Ultrathin WO3·0.33H2O nanotubes for CO2 photoreduction to acetate with high selectivity. Journal of the American Chemical Society 140 (20) , p. 6474. 10.1021/jacs.8b03316

Suzuki, Toru, Asami, Maki, Patel, Sanjay G., Luk, Louis Y. P.

, Tsai, Yu-Hsuan

and Perry, Anthony C. F. 2018. Switchable genome editing via genetic code expansion. Scientific Reports 8 (1) , 10051. 10.1038/s41598-018-28178-3

Świderek, Katarzyna, Nödling, Alexander, Tsai, Yu-Hsuan

, Luk, Louis

and Moliner, Vicent 2018. Reaction mechanism of organocatalytic Michael addition of nitromethane to cinnamaldehyde: a case study on catalyst regeneration and solvent effects. Journal of Physical Chemistry A 122 (1) , pp. 451-459. 10.1021/acs.jpca.7b11803

Szekrényes, Zsolt, Nagy, Péter R., Tarczay, György, Maggini, Laura, Bonifazi, Davide

and Kamarás, Katalin 2018. Direction-dependent secondary bonds and their stepwise melting in a uracil-based molecular crystal studied by infrared spectroscopy and theoretical modeling. Chemical Physics Letters 691 , pp. 163-168. 10.1016/j.cplett.2017.11.006

Takada, Akira, Glaser, Kathryn J., Bell, Robert G. and Catlow, C. Richard A.

2018. Molecular dynamics study of tridymite. IUCrJ 5 (3) , pp. 325-334. 10.1107/S2052252518004803

Tang, Yiji 2018. Improvement on Quasi-Variational Coupled Cluster(QVCC) method. MPhil Thesis, Cardiff University.

Item availability restricted.

Tarantino, Giulia 2018. Catalytic methodologies for C(sp3)-F bond formation with heterogeneous catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Tarantino, Giulia and Hammond, Ceri

2018. Catalytic formation of C(sp3)-F bonds via heterogeneous photocatalysis. ACS Catalysis 8 , pp. 10321-10330. 10.1021/acscatal.8b02844

Terranova, Umberto, Mitchell, Claire, Meenakshisundaram, Sankar

2018. Initial oxygen incorporation in the prismatic surfaces of troilite FeS. Journal of Physical Chemistry C 122 (24) , pp. 12810-12818. 10.1021/acs.jpcc.8b02774

Thomas, Franziska, Dawson, William M., Lang, Eric J. M., Burton, Antony J., Bartlett, Gail J., Rhys, Guto G., Mulholland, Adrian J. and Woolfson, Derek N. 2018. De novo-designed α-helical barrels as receptors for small molecules. ACS Synthetic Biology 7 (7) , pp. 1808-1816. 10.1021/acssynbio.8b00225

Tian, Mingjiao, He, Chi, Yu, Yanke, Pan, Hua, Smith, Louise, Jiang, Zeyu, Gao, Ningbo, Jian, Yanfei, Hao, Zhengping and Zhu, Qing 2018. Catalytic oxidation of 1,2-dichloroethane over three-dimensional ordered meso-macroporous Co 3 O 4 /La 0.7 Sr 0.3 Fe 0.5 Co 0.5 O 3 : destruction route and mechanism. Applied Catalysis A: General 553 (5) , pp. 1-14. 10.1016/j.apcata.2018.01.013

Tian, Mingjiao, Ma, Mudi, Xu, Bitao, Chen, Changwei, He, Chi, Hao, Zhengping and Albilali, Reem 2018. Catalytic removal of 1,2-dichloroethane over LaSrMnCoO6/H-ZSM-5 composite: insights into synergistic effect and pollutant-destruction mechanism. Catalysis Science and Technology 8 (17) , pp. 4503-4514. 10.1039/C8CY00950C

Timmins, Amy, Quesne, Matthew G., Borowski, Tomasz and de Visser, Sam P. 2018. Group transfer to an aliphatic bond: a biomimetic study inspired by nonheme iron halogenases. ACS Catalysis 8 (9) , pp. 8685-8698. 10.1021/acscatal.8b01673

Tomer, Ajay, Kusema, Bright T., Paul, Jean-François, Przybylski, Cédric, Monflier, Eric, Pera-Titus, Marc and Ponchel, Anne 2018. Cyclodextrin-assisted low-metal Ni-Pd/Al2O3 bimetallic catalysts for the direct amination of aliphatic alcohols. Journal of Catalysis 368 , pp. 172-189. 10.1016/j.jcat.2018.10.002

Turner, Matthew 2018. Modelling platinum(II) interactions with the Amyloid-b peptide. PhD Thesis, Cardiff University.

Item availability restricted.

Turner, Matthew, Mutter, Shaun, Deeth, Robert J. and Platts, James

2018. Ligand field molecular dynamics simulation of Pt(II)-phenanthroline binding to N-terminal fragment of amyloid-β peptide. PLoS ONE 13 (3) , -. 10.1371/journal.pone.0193668

Underhill, Ricci, Lewis, Richard J., Freakley, Simon J., Douthwaite, Mark, Miedziak, Peter J., Akdim, Ouardia, Edwards, Jennifer K.

2018. Oxidative degradation of phenol using in situ generated hydrogen peroxide combined with Fenton's process. Johnson Matthey Technology Review 62 (4) , pp. 417-425. 10.1595/205651318X15302623075041

Vakili, Reza, Xu, Shaojun, Al-Janabi, Nadeen, Gorgojo, Patricia, Holmes, Stuart M. and Fan, Xiaolei 2018. Microwave-assisted synthesis of zirconium-based metal organic frameworks (MOFs): Optimization and gas adsorption. Microporous and Mesoporous Materials 260 , pp. 45-53. 10.1016/j.micromeso.2017.10.028

Vakili, Reza, Gibson, Emma K., Chansai, Sarayute, Xu, Shaojun, Al-Janabi, Nadeen, Wells, Peter P., Hardacre, Christopher, Walton, Alex and Fan, Xiaolei 2018. Understanding the CO oxidation on Pt nanoparticles supported on MOFs by Operando XPS. ChemCatChem 10 (19) , pp. 4238-4242. 10.1002/cctc.201801067

Verhoog, Stefan, Kee, Choon Wee, Wang, Yanlan, Khotavivattana, Tanatorn, Wilson, Thomas C., Kersemans, Veerle, Smart, Sean, Tredwell, Matthew

, Davis, Benjamin G. and Gouverneur, Veronique 2018. 18F-trifluoromethylation of unmodified peptides with 5-18F-(trifluoromethyl)dibenzothiophenium trifluoromethanesulfonate. Journal of the American Chemical Society 140 (5) , pp. 1572-1575. 10.1021/jacs.7b10227

Verma, Anand Mohan, Agrawal, Kushagra, Kawale, Harshal D. and Kishore, Nanda 2018. Production of toluene by decomposition of 2-hydroxy-6-methylbenzaldehyde: a DFT study. ChemistrySelect 3 (1) , pp. 220-229. 10.1002/slct.201702339

Verma, Anand Mohan, Agrawal, Kushagra, Kawale, Harshal D. and Kishore, Nanda 2018. Quantum chemical study on gas phase decomposition of ferulic acid. Molecular Physics 116 (14) , pp. 1895-1907. 10.1080/00268976.2018.1464223

Verma, Anand Mohan, Agrawal, Kushagra and Kishore, Nanda 2018. Binding of phenolic model compounds with noble metal doped graphene sheets. Computational and Theoretical Chemistry 1134 , pp. 37-46. 10.1016/j.comptc.2018.05.001

Verma, Anand Mohan, Agrawal, Kushagra and Kishore, Nanda 2018. Elucidation of novel mechanisms to produce value-added chemicals from vapour phase conversion of ferulic acid. Theoretical Chemistry Accounts: Theory, Computation, and Modeling 137 (9) , 122. 10.1007/s00214-018-2311-3

Verma, Anand Mohan, Agrawal, Kushagra and Kishore, Nanda 2018. Computational study on ring saturation of 2-hydroxybenzaldehyde using density functional theory. ACS Omega 3 (8) , 8546–8552. 10.1021/acsomega.8b01003

Verma, Shalini, Mishra, Pawan K.

, Kumar, Manoj, Sur, Souvik and Verma, A.K. 2018. Transition-metal-free access to pyridocarbazoles from 2-alkynylindole-3-carbaldehydes via azomethine ylide. Journal of Organic Chemistry 83 (12) , pp. 6650-6663. 10.1021/acs.joc.8b00980

Villa, Alberto, Jouve, Andrea, Sanchez Trujillo, Felipe Juan, Motta, Davide, Prati, Laura and Dimitratos, Nikolaos

2018. Exploring the effect of Au/Pt ratio on glycerol oxidation in presence and absence of a base. Catalysts 8 (2) , 54. 10.3390/catal8020054

Vogt, Charlotte, Groeneveld, Esther, Kamsma, Gerda, Nachtegaal, Maarten, Lu, Li, Kiely, Christopher J.

, Berben, Peter H., Meirer, Florian and Weckhuysen, Bert M. 2018. Unravelling structure sensitivity in CO2 hydrogenation over nickel. Nature Catalysis 1 , pp. 127-134. 10.1038/s41929-017-0016-y

Vuts, József, Woodcock, Christine M, Caulfield, John C., Powers, Stephen J, Pickett, John A.

and Birkett, Michael A 2018. Isolation and identification of floral attractants from a nectar plant for the dried bean beetle, Acanthoscelides obtectus (Coleoptera: Chrysomelidae, Bruchinae). Pest Management Science 74 (9) , pp. 2069-2075. 10.1002/ps.4903

Walsh, Aron, Sokol, Alexey A., Buckeridge, John, Scanlon, David O. and Catlow, Charles Richard A.

2018. Oxidation states and ionicity. Nature Materials 17 , pp. 958-964. 10.1038/s41563-018-0165-7

Wang, Chao, Feng, Shanghua, Liu, Lei, He, Qian

and Dong, Jinxiang 2018. A facile route to encapsulate ultrasmall Ni clusters within the pore channels of AlPO-5. Materials Letters 210 , pp. 211-213. 10.1016/j.matlet.2017.09.037

Wang, Jian and Knowles, Peter J.

2018. Reply to comment on 'Nonuniqueness of algebraic first-order density-matrix functionals'. Physical Review A 97 (2) , -. 10.1103/PhysRevA.97.026502

Wang, Qian, He, Yuan, Lu, Rui, Wang, Wen-Ming, Yang, Ke-Wu, Fan, Hai Ming, Jin, Yi

and Blackburn, G. Michael 2018. Thermokinetic profile of NDM-1 and its inhibition by small carboxylic acids. Bioscience Reports 38 (2) , BSR20180244. 10.1042/BSR20180244

Wang, Tao, Yan, Zhen, Michel, Carine, Pera-Titus, Marc and Sautet, Philippe 2018. Trends and control in the nitridation of transition-metal surfaces. ACS Catalysis 8 (1) , pp. 63-68. 10.1021/acscatal.7b02096

Wang, Qian, Chen, Lifang, Guan, Shaoliang, Zhang, Xin, Wang, Bin, Cao, Xingzhong, Yu, Zhi, He, Yufei, Evans, David G., Feng, Junting and Li, Dianqing 2018. Ultrathin and vacancy-rich CoAl-layered double hydroxide/graphite oxide catalysts: promotional effect of cobalt vacancies and oxygen vacancies in alcohol oxidation. ACS Catalysis 8 , pp. 3104-3115. 10.1021/acscatal.7b03655

Wang, Yiou, Silveri, Fabrizio, Bayazit, Mustafa K., Ruan, Qiushi, Li, Yaomin, Xie, Jijia, Catlow, C. Richard A.

and Tang, Junwang 2018. Bandgap engineering of organic semiconductors for highly efficient photocatalytic water splitting. Advanced Energy Materials 8 (24) , -. 10.1002/aenm.201801084

Watanabe, Motonori, Sun, Songmei, Ishihara, Tatsumi, Kamimura, Takuya, Nishimura, Masato and Tani, Fumito 2018. Visible light-driven dye-sensitized photocatalytic hydrogen production by porphyrin and its cyclic dimer and trimer: effect of multi-pyridyl-anchoring groups on photocatalytic activity and stability. ACS Applied Energy Materials 1 (11) , pp. 6072-6081. 10.1021/acsaem.8b01113

Weng, Xiaole, Meng, Qingjie, Liu, Jiajia, Jiang, Weiyu, Pattisson, Samuel and Wu, Zhongbiao 2018. Catalytic oxidation of chlorinated organics over lanthanide perovskites: effects of phosphoric acid etching and water vapor on chlorine desorption behavior. Environmental Science & Technology 53 (2) , pp. 884-893. 10.1021/acs.est.8b04582

Wilkins, Lewis C., Soltani, Yashar, Lawson, James R., Slater, Ben and Melen, Rebecca L.

2018. Divergent elementoboration: 1,3-haloboration versus 1,1-carboboration of propargyl esters. Chemistry - A European Journal 24 (29) , pp. 7364-7368. 10.1002/chem.201801493

Williams, Christopher, Carter, James H., Dummer, Nicholas F.

, Chow, Ying Kit, Morgan, David J.

, Yacob, Sara, Serna, Pedro, Willock, David J.

, Meyer, Randall J., Taylor, Stuart H.

2018. Selective oxidation of methane to methanol using supported AuPd catalysts prepared by stabilizer-free sol-immobilization. ACS Catalysis , pp. 2567-2576. 10.1021/acscatal.7b04417

Williams, Christopher Paul 2018. Catalyst design for low temperature oxidation of methane to methanol. PhD Thesis, Cardiff University.

Item availability restricted.

Williams, Thomas L., Nodling, Alexander, Tsai, Yu-Hsuan

2018. Carbapenems as water soluble organocatalysts. Wellcome Open Research 2018 (3) , 107. 10.12688/wellcomeopenres.14721.1

Wirth, Thomas

2018. Organoselenium chemistry. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, (10.1002/9781119951438.eibc2727)

Wirth, Thomas

, Gao, Wen-Chao, Xiong, Zi-Yue and Pirhaghani, Shafigh 2018. Enantioselective electrochemical lactonization using chiral iodoarenes as mediators. Synthesis (Stuttgart) 10.1055/s-0037-1610373

Wirth, Thomas

, Hokamp, Tobias, Storm, Alena and Yusubov, Mekhman 2018. Iodine monoacetate for efficient oxyiodinations of alkenes and alkynes. Synlett 29 (4) , pp. 415-418. 10.1055/s-0036-1589119

Wragg, Darren, De Almeida, Andreia

, Bonsignore, Riccardo

, Kühn, Fritz E., Leoni, Stefano

and Casini, Angela

2018. On the mechanism of Gold/NHC compounds binding to DNA G-quadruplexes: combined metadynamics and biophysical methods. Angewandte Chemie International Edition 57 (44) , pp. 14524-14528. 10.1002/anie.201805727

Wu, Yi-Lin

, Bobbitt, N. Scott, Logsdon, Jenna L., Powers-Riggs, Natalia E., Nelson, Jordan N., Liu, Xiaolong, Wang, Timothy C., Snurr, Randall Q., Hupp, Joseph T., Farha, Omar K., Hersam, Mark C. and Wasielewski, Michael R. 2018. Tunable crystallinity and charge transfer in two-dimensional G-quadruplex organic frameworks. Angewandte Chemie International Edition 57 (15) , pp. 3985-3989. 10.1002/anie.201800230

Xu, Shaojun, Khalaf, Pericles I., Martin, Philip A. and Whitehead, J. Christopher 2018. CO2 dissociation in a packed-bed plasma reactor: effects of operating conditions. Plasma Sources Science and Technology 27 (7) , 075009. 10.1088/1361-6595/aacd6a

Yakabi Diosdado, Laura 2018. From plants to plastics: continuous catalytic routes for the production of renewable monomers. PhD Thesis, Cardiff University.

Item availability restricted.

Yakabi, Keiko, Jones, Alexandra, Buchard, Antoine, Roldan, Alberto and Hammond, Ceri

2018. Chemoselective lactonization of renewable succinic acid with heterogeneous nanoparticle catalysts. ACS Sustainable Chemistry and Engineering 6 (12) , p. 16341. 10.1021/acssuschemeng.8b03346

Yang, Pengfei, Moloney, Mark G., Zhang, Fei and Ji, Wei 2018. Surface hydrophobic modification of polymers with fluorodiazomethanes. Materials Letters 210 , pp. 295-297. 10.1016/j.matlet.2017.09.008

Yevglevskis, Maksims, Lee, Guat L., Nathubhai, Amit, Petrova, Yoana D., James, Tony D., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2018. Structure-activity relationships of rationally designed AMACR 1A inhibitors. Bioorganic Chemistry 79 , pp. 145-154. 10.1016/j.bioorg.2018.04.024

Yu, Yanke, Miao, Jifa, He, Chi, Chen, Jinsheng, Li, Can and Douthwaite, Mark 2018. The remarkable promotional effect of SO 2 on Pb-poisoned V 2 O 5 -WO 3 /TiO 2 catalysts: An in-depth experimental and theoretical study. Chemical Engineering Journal 338 , pp. 191-201. 10.1016/j.cej.2018.01.031

Yusubov, Mekhman, Soldatova, Natalia, Postnikov, Pavel, Valiev, Rashid, Svitich, Dmitry, Yusubova, Roza, Yoshimura, Akira, Wirth, Thomas

and Zhdankin, Viktor 2018. Reactions of 1-arylbenziodoxolones with azide anion: Experimental and computational study of substituent effects. European Journal of Organic Chemistry 2018 (5) , pp. 640-647. 10.1002/ejoc.201701595

Zakaria, Siti N. A., Hollingsworth, Nathan, Islam, Husn, Roffey, Anna, Santos Carballal, David

, Bras, Wim, Sankar, Gopinathan, Hogarth, Graeme, Holt, Katherine B. and de Leeuw, Nora

2018. Insight into nature of iron sulfide surfaces during the electrochemical hydrogen evolution and CO2 reduction reactions. ACS Applied Materials and Interfaces 10 (38) , pp. 32078-32085. 10.1021/acsami.8b08612

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, C. Richard A.

2018. Low-T Mechanisms of Ammonia Synthesis on Co3Mo3N. Journal of Physical Chemistry C 122 (11) , pp. 6078-6082. 10.1021/acs.jpcc.7b12364

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, C. Richard A.

2018. The integration of experiment and computational modelling in heterogeneously catalysed ammonia synthesis over metal nitrides. Physical Chemistry Chemical Physics 20 (34) , pp. 21803-21808. 10.1039/C8CP04216K

Zhang, Ye, Lei, Jin-E, He, Yuan, Yang, Jianhua, Wang, Wenjing, Wasey, Abdul, Xu, Jiru, Lin, Yue, Fan, Haiming, Jing, Guangyin, Zhang, Ce and Jin, Yi

2018. Label-free visualization of carbapenemase activity in living bacteria. Angewandte Chemie International Edition 57 (52) , pp. 17120-17124. 10.1002/anie.201810834

Zhang, Shi, Hong, Bing, Fan, Zhaoyu, Lu, Jingya, Xu, Yisheng and Pera-Titus, Marc 2018. Aquivion–carbon composites with tunable amphiphilicity for pickering interfacial catalysis. ACS Applied Materials and Interfaces 10 (31) , pp. 26795-26804. 10.1021/acsami.8b08649

Zhang, Bin, Chen, Bin, Douthwaite, Mark, Liu, Qiang, Zhang, Chao, Wu, Qifan, Shi, Ruhui, Wu, Peixuan, Zhao, Fengyu and Hutchings, Graham

2018. Macroporous-mesoporous carbon supported Ni catalysts for the conversion of cellulose to polyols. Green Chemistry 20 (15) , pp. 3634-3642. 10.1039/C8GC01624K

Zhao, Guolin, Li, Yao, Hong, Bing, Han, Xia, Zhao, Shuangliang, Pera-Titus, Marc and Liu, Honglai 2018. Nanomixing effects in glycerol/dodecanol pickering emulsions for interfacial catalysis. Langmuir 34 (50) , pp. 15587-15592. 10.1021/acs.langmuir.8b02892

Zhou, Yating 2018. Advancing fundamentals and applications of X-ray birefringence imaging. PhD Thesis, Cardiff University.

Item availability restricted.

Zhu, Wen, Reinhardt, Laurie A. and Richards, Nigel G. J.

2018. Second-shell hydrogen bond impacts transition-state structure in bacillus subtilis oxalate decarboxylase. Biochemistry 57 (24) , pp. 3425-3432. 10.1021/acs.biochem.8b00214

2017

Abis, Laura, Freakley, Simon J., Dodekatos, Georgios, Morgan, David

, Sankar, Meenakshisundaram

, Dimitratos, Nikolaos

, He, Qian

, Kiely, Christopher

2017. Highly active gold and gold-palladium catalysts prepared by colloidal methods in the absence of polymer stabilizers. ChemCatChem 9 (15) , pp. 2914-2918. 10.1002/cctc.201700483

Adedigba, Abdul-Lateef, Sankar, Gopinathan, Catlow, Charles Richard

, Du, Yonghua, Xi, Shibo and Borgna, Armando 2017. On the synthesis and performance of hierarchical nanoporous TS-1 catalysts. Microporous and Mesoporous Materials 244 , pp. 83-92. 10.1016/j.micromeso.2017.02.048

Adjimi, S., García-Vargas, J.M., Díaz, J.A., Retailleau, L., Gil, S., Pera-Titus, M., Guo, Y. and Giroir-Fendler, A. 2017. Highly efficient and stable Ru/K-OMS-2 catalyst for NO oxidation. Applied Catalysis B: Environmental 219 , pp. 459-466. 10.1016/j.apcatb.2017.07.044

Agarwal, Nishtha, Freakley, Simon J., McVicker, Rebecca U., Althahban, Sultan M., Dimitratos, Nikolaos

, He, Qian

, Jenkins, Robert L., Willock, David J.

, Kiely, Christopher J.

2017. Aqueous Au-Pd colloids catalyze selective CH4 oxidation to CH3OH with O2 under mild conditions. Science 358 (6360) , pp. 223-227. 10.1126/science.aan6515

Ahmed, Tarek, Nash, Anthony, Clark, Kristina, Ghibaudo, Marion, De Leeuw, Nora

, Potter, Anne, Stratton, Richard, Birch, Helen, Enea Casse, Ramona and Bozec, Laurent 2017. Combining nano-physical and computational investigations to understand the nature of “aging” in dermal collagen. International Journal of Nanomedicine 2017 (12) , pp. 3303-3314. 10.2147/IJN.S121400

Al-Azzawi, Ammar 2017. The interactions of optoelectronically active molecules and complexes with (bio) macromolecules for applications in biosensors and directed assembly. PhD Thesis, Cardiff University.

Item availability restricted.

Al-Nayili, Abbas 2017. Novel Lewis acidic zeolites as heterogeneous catalysts for liquid phase chemistry. PhD Thesis, Cardiff University.

Item availability restricted.

Al-Rifai, Noor, Miedziak, Peter John, Morad, Moataz, Meenakshisundaram, Sankar

, Waldron, Conor, Cattaneo, Stefano, Cao, Enhong, Pattisson, Samuel, Morgan, David

, Bethell, Donald, Hutchings, Graham John

and Gavriilidis, Asterios 2017. Deactivation behaviour of supported gold palladium nanoalloy catalysts during the selective oxidation of benzyl alcohol in a micro-packed bed reactor. Industrial & Engineering Chemistry Research 56 (45) , pp. 12984-12993. 10.1021/acs.iecr.7b01159

Alaboosh, Jamal 2017. Synthesis of nucleic acid-binding ligands. PhD Thesis, Cardiff University.

Item availability restricted.

Albilali, Reem K., Douthwaite, John Mark, He, Qian

2017. The selective hydrogenation of furfural over supported palladium nanoparticle catalysts prepared by sol-immobilisation: effect of catalyst support and reaction conditions. Catalysis Science and Technology 2018 (8) , pp. 252-267. 10.1039/C7CY02110K

Albilali, Reem and Dimitratos, Nikolaos

2017. Transfer dehydrogenation of 1-Phenylethanol over Pd/C under mild conditions: effect of reaction conditions and optimization of catalytic performance. Catalysis Letters 147 (9) , pp. 2372-2384. 10.1007/s10562-017-2140-3

Aldmairi, Abdu H., Griffiths-Jones, Charlotte, Dupauw, Alexis, Henderson, Laura and Knight, David 2017. Piperidines from acid-catalysed cyclisations: Pitfalls, solutions and a new ring contraction to pyrrolidines. Tetrahedron Letters 58 (38) , pp. 3690-3694. 10.1016/j.tetlet.2017.07.058

Aldmairi, Abdul Hadi, Knight, David and Wirth, Thomas

2017. Acid-catalyzed tandem process for the one-pot synthesis of oxazolidines. Synlett 28 (20) , pp. 2976-2978. 10.1055/s-0036-1591513

Alsaiari, Raiedhah, Perrott, Luke T., Nowicka, Ewa

, Engel, Rebecca V., Miedziak, Peter J., Kondrat, Simon A., Edwards, Jennifer K.

2017. The effect of ring size on the selective carboxylation of cycloalkene oxides. Catalysis Science & Technology 2017 (6) , pp. 1433-1439. 10.1039/C6CY02448C

Alsaiari, Raiedhah 2017. Effects of reaction conditions on the conversion of epoxides to cyclic carbonates through CO2 inclusion. PhD Thesis, Cardiff University.

Item availability restricted.

Alshammari, Mohammed B., Smith, Keith, Hegazy, Amany S., Kariuki, Benson

and El-Hiti, Gamal A.

2017. Crystal structure of 3-(2-(4-chlorophenyl)-3-hydroxy-3,3-diphenylpropyl)-1,1-dimethylurea, C24H25ClN2O2. Zeitschrift für Kristallographie - New Crystal Structures 232 (1) , pp. 101-104. 10.1515/ncrs-2016-0170

Amoroso, Angelo James

2017. Chelating agents for radiolanthanides: applications to imaging and therapy. Coordination Chemistry Reviews 340 , pp. 198-219. 10.1016/j.ccr.2017.01.010

Angelastro, Antonio

, Dawson, William M., Luk, Louis Y. P.

2017. A versatile disulfide-driven recycling system for NADP+ with high cofactor turnover number. ACS Catalysis 7 (2) , pp. 1025-1029. 10.1021/acscatal.6b03061

Angelastro, Antonio

, Dawson, William M., Luk, Louis Y. P.

, Loveridge, E. Joel and Allemann, Rudolf K.

2017. Chemoenzymatic assembly of isotopically labeled folates. Journal of the American Chemical Society 139 (37) , pp. 13047-13054. 10.1021/jacs.7b06358

Angelastro, Antonio

2017. Chemoenzymatic synthesis of isotopically labelled folates. PhD Thesis, Cardiff University.

Item availability restricted.

Antonangelo, A. R., Westrup, K. C. M., Burt, L. A., Bezzu, C. Grazia, Malewschik, T., Machado, G. S., Nunes, F. S., McKeown, N. B. and Nakagaki, S. 2017. Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins. RSC Advances 7 (80) , pp. 50610-50618. 10.1039/C7RA08734A

Antonangelo, Ariana R., Bezzu, Grazia, Mughal, Sabeeha S., Malewschik, Talita, McKeown, Neil B. and Nakagaki, Shirley 2017. A porphyrin-based microporous network polymer that acts as an efficient catalyst for cyclooctene and cyclohexane oxidation under mild conditions. Catalysis Communications 99 , p. 100. 10.1016/j.catcom.2017.05.024

Aparicio-Anglès, Xavier and De Leeuw, Nora H.

2017. Modeling of complex interfaces: Gadolinium-doped ceria in contact with yttria-stabilized zirconia. Journal of the American Ceramic Society 100 (7) , pp. 3329-3339. 10.1111/jace.14858

Aradottir, G.I., Martin, J.L., Clark, S.J., Pickett, John

and Smart, L.E. 2017. Searching for wheat resistance to aphids and wheat bulb fly in the historical Watkins and Gediflux wheat collections. Annals of Applied Biology 170 (2) , pp. 179-188. 10.1111/aab.12326

Armstrong, Robert, Kariuki, Benson

, Knight, David and Hutchings, Graham John

2017. How to synthesise high purity, crystalline D-glucaric acid selectively. European Journal of Organic Chemistry 2017 (45) , pp. 6811-6814. 10.1002/ejoc.201701343

Arora, Mallika, Pineda, Sergio, Williams, Philip, Harris, Kenneth

2017. Polymorphic adaptation. Presented at: 17th International Conference, CAAD Futures 2017, Istanbul, 12-14 July 2017. Published in: Çağdaş, Gülen, Özkar, Mine, Gül, Leman F. and Gürer, Ethem eds. Future Trajectories of Computation in Design. Istanbul: Istanbul Technical University, pp. 474-491.

Arvanitidis, Athanasios G., Vandaele, Eva R. J., Szopa, Marek and Ceulemans, Arnout 2017. The quantization of theE ⊗ e Jahn–Teller Hamiltonian. Journal of Physical Chemistry A 121 (38) , pp. 7246-7524. 10.1021/acs.jpca.7b06136

Athar, Mohd, Lone, Mohsin Y., Khedkar, Vijay M., Radadiya, Ashish

, Shah, Anamik and Jha, Prakash C. 2017. Structural investigation of Vinca Domain Tubulin Binders by pharmacophore, atom based QSAR, docking and molecular dynamics simulations. Combinatorial Chemistry and High Throughput Screening 20 (8) , pp. 682-695. 10.2174/1386207320666170509151253

Attard, Gary Anthony, Hunter, Katherine, Wright, Edward, Sharman, Jonathan, Martínez-Hincapié, Ricardo and Feliu, Juan M. 2017. The voltammetry of surfaces vicinal to Pt{110}: structural complexity simplified by CO cooling. Journal of Electroanalytical Chemistry 793 , pp. 137-146. 10.1016/j.jelechem.2016.10.005

Ayres, James, Ashford, Matthew, Stockl, Yannick, Prudhomme, Vassili, Ling, Kenneth B., Platts, James

and Morrill, Louis

2017. Deoxycyanamidation of alcohols with N-Cyano-N-phenyl-p-methylbenzenesulfonamide (NCTS). Organic Letters 19 (14) , pp. 3835-3838. 10.1021/acs.orglett.7b01710

Bahili, Mohammed 2017. Synthesis of polyesters by ring opening polymerization and copolymerization using aluminium and titanium complexes. PhD Thesis, Cardiff University.

Item availability restricted.

Bahruji, Hasliza, Guan, Shaoliang and Puthiyapura, Vinod Kumar 2017. Precious metal catalysts for sustainable energy and environmental remediation. Hutchings, Graham, Davidson, Matthew, Catlow, Ricahrd, Hardacre, Christopher, Turner, Nicholas and Collier, Paul, eds. Modern Developments in Catalysis, World Scientific Publishing, pp. 211-251. (10.1142/9781786341228_0007)

Bahruji, H., Bowker, M.

, Jones, W., Hayward, J., Ruiz Esquius, J., Morgan, D. J.

and Hutchings, G. J.

2017. PdZn catalysts for CO2 hydrogenation to methanol using chemical vapour impregnation (CVI). Faraday Discussions 197 , pp. 309-324. 10.1039/C6FD00189K

Balakit, A. A., Sert, Y., Çırak, Ç., Smith, Keith, Kariuki, Benson

and El-Hiti, G. A. 2017. Synthesis, vibrational spectra, and DFT simulations of 3-bromo-2-methyl-5-(4-nitrophenyl)thiophene. Journal of Applied Spectroscopy 84 (5) , pp. 888-899. 10.1007/s10812-017-0561-9

Belz, Tyson, Jin, Yi

, Coines, Joan, Rovira, Carme, Davies, Gideon J. and Williams, Spencer J. 2017. An atypical interaction explains the high-affinity of a non-hydrolyzable S-linked 1,6-α-mannanase inhibitor. Chemical Communications 53 , pp. 9238-9241. 10.1039/C7CC04977C

Bhatt, Jayesh S., Chutia, Arunabhiram, Catlow, Charles Richard A.

and Coppens, Marc-Olivier 2017. Quantum and statistical mechanical simulations for porous catalyst modelling. Hutchings, Graham John, Davidson, Matthew, Catlow, Charles Richard A., Hardacre, Christopher, Turner, Nicholas and Collier, Paul, eds. Modern Developments in Catalysis, World Scientific Publishing, pp. 253-288. (10.1142/9781786341228_0008)

Biggs, Caroline I., Packer, Christopher, Hindmarsh, Steven, Walker, Marc, Wilson, Neil R., Rourke, Jonathan P.

and Gibson, Matthew I. 2017. Impact of sequential surface-modification of graphene oxide on ice nucleation. Physical Chemistry Chemical Physics 19 (33) , pp. 21929-21932. 10.1039/C7CP03219F

Birchall, Christopher, Moxey, Graeme J., McMaster, Jonathan, Blake, Alexander J., Lewis, William and Kays, Deborah L.

2017. A monomeric, heterobimetallic complex with an unsupported Mg–Fe bond. Inorganica Chimica Acta 458 , pp. 97-100. 10.1016/j.ica.2016.12.029

Biswas, Saptarshi, Ma, Shuwen, Nuzzo, Stefano, Twamley, Brendan, Russell, Andrew T., Platts, James A.

, Hartl, František and Baker, Robert J. 2017. Structural variability of 4f and 5f thiocyanate complexes and dissociation of uranium(III)‒ thiocyanate bonds with increased ionicity. Inorganic Chemistry 56 (23) , pp. 14426-14437. 10.1021/acs.inorgchem.7b01560

Black, Joshua 2017. Development and applications of Quasi-Variational Coupled-Cluster theory. PhD Thesis, Cardiff University.

Item availability restricted.

Blackaby, William J. M., Sabater, Sara, Poulten, Rebecca C., Page, Michael J., Folli, Andrea

, Krewald, Vera, Mahon, Mary F., Murphy, Damien M.

and Whittlesey, Michael K. 2017. Mono- and dinuclear Ni(i) products formed upon bromide abstraction from the Ni(i) ring-expanded NHC complex [Ni(6-Mes)(PPh3)Br]. Dalton Transactions 47 (3) , pp. 769-782. 10.1039/C7DT04187J

Blackburn, George Michael, Jin, Yi

, Richards, Nigel G.J.

and Waltho, Jonathan P 2017. Metal fluorides as analogs for studies on phosphoryl transfer enzymes. Angewandte Chemie 129 (15) , pp. 4172-4192. 10.1002/ange.201606474

Blackburn, G. Michael, Cherfils, Jacqueline, Moss, Gerard P., Richards, Nigel G. J.

, Waltho, Jonathan P., Williams, Nicholas H. and Wittinghofer, Alfred 2017. How to name atoms in phosphates, polyphosphates, their derivatives and mimics, and transition state analogues for enzyme-catalysed phosphoryl transfer reactions (IUPAC Recommendations 2016). Pure and Applied Chemistry 89 (5) , pp. 653-675. 10.1515/pac-2016-0202

Boateng, Isaac Wiafe, Tia, Richard, Adei, Evans, Dzade, Nelson Yaw, Catlow, Charles Richard

2017. A DFT+U investigation of hydrogen adsorption on the LaFeO3 (010) surface. Physical Chemistry Chemical Physics 2017 (10) , pp. 7399-7409. 10.1039/C6CP08698E

Boggio-Pasqua, Martial, López Vidal, Marta and Garavelli, Marco 2017. Theoretical mechanistic study of self-sensitized photo-oxygenation and singlet oxygen thermal release in a dimethyldihydropyrene derivative. Journal of Photochemistry and Photobiology A: Chemistry 333 , pp. 156-164. 10.1016/j.jphotochem.2016.10.020

Bonello, R. Owen, Pitak, Mateusz B., Coles, Simon J., Hallett, Andrew J., Fallis, Ian Andrew

2017. Synthesis and characterisation of phosphorescent rhenium(I) complexes of hydroxy- and methoxy-substituted imidazo[4,5- f ]-1,10-phenanthroline ligands. Journal of Organometallic Chemistry 841 , pp. 39-47. 10.1016/j.jorganchem.2017.04.021

Bonifazi, Davide

2017. Versatile self-adapting boronic acids for H-bond recognition: from discrete to polymeric supramolecules. Journal of the American Chemical Society 139 (7) , pp. 2710-2727. 10.1021/jacs.6b11362

Boorsma, Carian E., van der Veen, T. Anienke, Putri, Kurnia S. S., De Almeida, Andreia

, Draijer, Christina, Mauad, Thais, Fejer, Gyorgy, Brandsma, Corry-Anke, van den Berge, Maarten, Bossé, Yohan, Sin, Don, Hao, Ke, Reithmeier, Anja, Andersson, Göran, Olinga, Peter, Timens, Wim, Casini, Angela

and Melgert, Barbro N. 2017. A potent tartrate resistant acid phosphatase inhibitor to study the function of TRAP in alveolar macrophages. Scientific Reports 7 (1) , 12570. 10.1038/s41598-017-12623-w

Bosch-Navarro, Concha, Laker, Zachary P.L., Marsden, Alexander J., Wilson, Neil R. and Rourke, Jonathan P.

2017. Non-covalent functionalization of graphene with a hydrophilic self-limiting monolayer for macro-molecule immobilization. FlatChem 1 , pp. 52-56. 10.1016/j.flatc.2016.11.001

Bosica, Giovanna and Polidano, Kurt 2017. Solvent-free Henry and Michael reactions with nitroalkanes promoted by potassium carbonate as a versatile heterogeneous catalyst. Journal of Chemistry 2017 , 6267036. 10.1155/2017/6267036

Bouleghlimat, Emir 2017. Materials for the photocatalytic treatment of recalcitrant organic waste. PhD Thesis, Cardiff University.

Item availability restricted.

Bouleghlimat, Azzedine, Othman, Mazin, Lagrave, Louis, Matsuzawa, Soichiro, Nakamura, Yoshinobu, Fujii, Syuji and Buurma, Niklaas

2017. Halide-enhanced catalytic activity of palladium nanoparticles comes at the expense of catalyst recovery. Catalysts 7 (9) , 280. 10.3390/catal7090280

Bradley, Mark A., Birchall, Chris, Blake, Alexander J., Lewis, William, Moxey, Graeme J. and Kays, Deborah L.

2017. 1,8-Bis(silylamido)naphthalene complexes of magnesium and zinc synthesised through alkane elimination reactions. Dalton Transactions 46 (12) , pp. 4101-4110. 10.1039/C7DT00471K

Brown, Kristen E., Singh, Arunoday P. N., Wu, Yi-Lin

, Mishra, Ashutosh Kumar, Zhou, Jiawang, Lewis, Frederick D., Young, Ryan M. and Wasielewski, Michael R. 2017. Tracking hole transport in DNA hairpins using a phenylethynylguanine nucleobase. Journal of the American Chemical Society 139 (34) , pp. 12084-12092. 10.1021/jacs.7b06998

Brown, Kristen E., Singh, Arunoday P. N., Wu, Yi-Lin

, Ma, Lin, Mishra, Ashutosh K., Phelan, Brian T., Young, Ryan M., Lewis, Frederick D. and Wasielewski, Michael R. 2017. Fluorescent excimers and exciplexes of the purine base derivative 8-phenylethynyl-guanine in DNA hairpins. Faraday Discussions 207 , pp. 217-232. 10.1039/C7FD00186J

Browne, Duncan L

, Howard, Joseph L and Schotten, Christiane 2017. Continuous flow processing as a tool for medicinal chemical synthesis. Comprehensive Medicinal Chemistry III, Elsevier, pp. 135-185. (10.1016/B978-0-12-409547-2.12288-7)

Bryant, M. J., Skelton, J. M., Hatcher, L. E.

, Stubbs, C., Madrid, E., Pallipurath, A. R., Thomas, L. H., Woodall, C. H., Christensen, J., Fuertes, S., Robinson, T. P., Beavers, C. M., Teat, S. J., Warren, M. R., Pradaux-Caggiano, F., Walsh, A., Marken, F., Carbery, D. R., Parker, S. C., McKeown, N. B., Malpass-Evans, R., Carta, M. and Raithby, P. R. 2017. A rapidly-reversible absorptive and emissive vapochromic Pt(II) pincer-based chemical sensor. Nature Communications 8 , 1800. 10.1038/s41467-017-01941-2

Bugler, Keith 2017. The catalytic oxidative dehydrogenation of n-octane over iron and other metal molybdates. PhD Thesis, Cardiff University.

Item availability restricted.

Burnett, T. L., Holroyd, N. J. H., Lewandowski, J. J., Ogurreck, M., Rau, C., Kelley, R., Pickering, E. J., Daly, M., Sherry, A. H., Pawar, S., Slater, T. J. A.

and Withers, P. J. 2017. Degradation of metallic materials studied by correlative tomography. IOP Conference Series: Materials Science and Engineering 219 (1) , 012001. 10.1088/1757-899X/219/1/012001

Buurma, Niklaas J.

2017. π-conjugated DNA binders. Stulz, Eugen and Clever, Guido H., eds. Supramolecular Chemistry and Nanotechnology, Wiley, ch1.2. (10.1002/9781118696880.ch1.2)

Buurma, Niklaas J.

2017. Aggregation and reactivity in aqueous solutions of cationic surfactants and aromatic anions across concentration scales. Current Opinion in Colloid & Interface Science 32 , pp. 69-75. 10.1016/j.cocis.2017.10.005

Cadi-Essadek, A., Roldan Martinez, Alberto

2017. Density functional theory study of Ni clusters supported on the ZrO2 (111) surface. Fuel Cells 17 (2) , pp. 125-131. 10.1002/fuce.201600044

Cao, Yueling, Iqbal, Sarwat, Miedziak, Peter John, Jones, Daniel R., Morgan, David John

, Liu, Xi, Wang, Junwei and Hutchings, Graham

2017. An investigation into bimetallic catalysts for base free oxidation of cellobiose and glucose. Journal of Chemical Technology and Biotechnology 92 (9) , pp. 2246-2253. 10.1002/jctb.5287

Cao, Tao, Wu, Mengjia, Ordomsky, Vitaly V., Xin, Xi, Wang, Hao, Métivier, Pascal and Pera-Titus, Marc 2017. Selective electrogenerative oxidation of 5-hydroxymethylfurfural to 2,5-furandialdehyde. ChemSusChem 10 (24) , pp. 4851-4854. 10.1002/cssc.201702119

Cao, Enhong, Brett, Gemma Louise, Miedziak, Peter John, Douthwaite, John, Barrass, Simon, McMillan, Paul F., Hutchings, Graham John

and Gavriilidis, Asterios 2017. A micropacked-bed multi-reactor system with in situ raman analysis for catalyst evaluation. Catalysis Today 283 , pp. 195-201. 10.1016/j.cattod.2016.06.007

Cao, Ting, Zhang, Fangting, Cai, Liangyuan, Zhou, Yinglin, Buurma, Niklaas J.

and Zhang, Xinxiang 2017. Investigation of the interactions between methylene blue and intramolecular G-quadruplexes: an explicit distinction in electrochemical behavior. Analyst 2017 (142) , pp. 987-993. 10.1039/C7AN00083A

Carpenter, Barry K.

, Ezra, Gregory S., Farantos, Stavros C., Kramer, Zeb C. and Wiggins, Stephen 2017. Empirical classification of trajectory data: An opportunity for the use of machine learning in molecular dynamics. Journal of Physical Chemistry B 122 (13) , p. 3230. 10.1021/acs.jpcb.7b08707

Carta, Mariolina

, Bezzu, C. Grazia, Vile, James, Kariuki, Benson M.

and McKeown, Neil B 2017. Polymers of Intrinsic Microporosity derived from a carbocyclic analogue of Tröger's base. Polymer 126 , pp. 324-329. 10.1016/j.polymer.2017.03.037

Carter, Korey P., Pope, Simon J. A.

, Kalaj, Mark, Holmberg, Rebecca J., Murugesu, Muralee and Cahill, Christopher L. 2017. Exploring the promotion of synthons of choice: halogen bonding in molecular lanthanide complexes characterized via X-ray diffraction, luminescence spectroscopy, and magnetic measurements. Zeitschrift für ganische und allgemeine Chemie 643 (23) , pp. 1948-1955. 10.1002/zaac.201700341

Casini, Angela

, Estrada-Ortiz, Natalia, Gabbiani, Chiara, Guarra, Federica, Groothuis, Geny, de Graaf, Inge, de Jager, Marina and Marchetti, Lorella 2017. Anticancer gold N-heterocyclic carbene complexes: a comparative in vitro and ex vivo study. ChemMedchem 12 (17) , pp. 1429-1435. 10.1002/cmdc.201700316

University of Groningen 2017. Gold(III) compounds as tartrate resistant acid phosphatase inhibitors, and therapeutic uses thereof. WO2017058012 (A1). [Patent].

Casini, Angela

, Miller, Jessica J., Gomes, Luiza M.F. and Storr, Tim 2017. The interaction of metal compounds with protein targets: new tools in medicinal chemistry and chemical biology. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, (10.1002/9781119951438)

Casini, Angela

, Orvig, Chris and Correia, João D. G. 2017. Frontiers in radionuclide imaging and therapy, a chemical journey from naturally radioactive elements to targeted theranostic agents. Dalton Transactions 46 , pp. 14433-14434. 10.1039/C7DT90181J

Casini, Angela

, Woods, Benjamin and Wenzel, Margot

2017. The promise of self-assembled 3D supramolecular coordination complexes for biomedical applications. Inorganic Chemistry 56 (24) , pp. 14715-14729. 10.1021/acs.inorgchem.7b02599

Caswell, Thomas 2017. Photocatalytic nitrate reduction under solar-simulated light using modified TiO2. PhD Thesis, Cardiff University.

Item availability restricted.

Catlow, C. Richard A.

, van Santen, Rutger A. and Van Speybroeck, Veronique 2017. Preface. Catlow, C. Richard A., Van Speybroeck, Veronique and Van Santen, Rutger A., eds. Modelling and Simulation in the Science of Micro- and Meso-Porous Materials, Elsevier, xiii. (10.1016/B978-0-12-805057-6.00013-2)

Catlow, C. Richard

2017. Modelling and simulation in the science of micro- and meso-porous materials. Elsevier.

Catlow, C. Richard

2017. Peer reviewers need more nurturing. Nature 552 (7685) , p. 293. 10.1038/d41586-017-08289-z

Catlow, Charles Richard

2017. Developments in the structural science of materials. IUCrJ 4 (3) , pp. 199-201. 10.1107/S2052252517006145

Celorrio, V., Morris, Louis J., Cattelan, M., Fox, N.A. and Fermin, D.J. 2017. Tellurium-doped lanthanum manganite as catalysts for the oxygen reduction reaction. MRS Communications 7 (2) , pp. 193-198. 10.1557/mrc.2017.22

Cerrato, Erik, Gionco, Chiara, Paganini, Maria Cristina and Giamello, Elio 2017. Photoactivity properties of ZnO doped with cerium ions: an EPR study. Journal of Physics: Condensed Matter 29 (44) , 444001. 10.1088/1361-648X/aa88f7

Chan-Thaw, Carine, Chinchilla, Lidia, Sanchez Trujillo, Felipe Juan, Dimitratos, Nikolaos

, Botton, Gianluigi, Prati, Laura and Villa, Alberto 2017. Enhanced activity of Au/NiO nanohybrids for the reductive amination of benzyl alcohol. Materials 10 (12) , 1435. 10.3390/ma10121435

Charalampopoulos, Vasileios G., Kariuki, Benson

2017. Complexes of Thiourea with alkali metal bromides and iodides: Structural properties, mixed-halide and mixed-metal materials, and halide exchange processes. Crystal Growth and Design 17 (2) , pp. 786-793. 10.1021/acs.cgd.6b01644

Chhantyal-Pun, Rabi, McGillen, Max R., Beames, Joseph

, Khan, M. Anwar H., Percival, Carl J., Shallcross, Dudley E. and Orr-Ewing, Andrew J. 2017. Temperature-dependence of the rates of reaction of trifluoroacetic acid with criegee intermediates. Angewandte Chemie - International Edition 56 (31) , pp. 9044-9047. 10.1002/anie.201703700

Christie, Jamieson K., Ainsworth, Richard I, Ruiz Hernandez, Sergio Ernesto

2017. Structures and properties of phosphate-based bioactive glasses from computer simulation: a review. Journal of Materials Chemistry B 5 (27) , pp. 5297-5306. 10.1039/C7TB01236E

Christie, J. K. and De Leeuw, Nora

2017. Effect of strontium inclusion on the bioactivity of phosphate-based glasses. Journal of Materials Science 52 (15) , pp. 9014-9022. 10.1007/s10853-017-1155-x

Chutia, Arunabhiram, Gibson, Emma K., Farrow, Matthew R., Wells, Peter P., Scanlon, David O., Dimitratos, Nikolaos

and Catlow, Charles Richard A.

2017. The adsorption of Cu on the CeO2(110) surface. Physical Chemistry Chemical Physics 19 (40) , pp. 27191-27203. 10.1039/C7CP04144F

Clark, Nicholas

, Shaw, Greg and Porch, Adrian

2017. Effect of surface stresses on microwave surface resistance and its impact for cavity perturbation measurements. IEEE Microwave and Wireless Components Letters 27 (10) , pp. 939-941. 10.1109/LMWC.2017.2745486

Coles, Nathan T.

, Mahon, Mary F. and Webster, Ruth L. 2017. Phosphine- and amine-borane dehydrocoupling using a three-coordinate iron(II) β-diketiminate precatalyst. Organometallics 36 (11) , 2262–2268. 10.1021/acs.organomet.7b00326

Coles, Nathan T.

and Webster, Ruth L. 2017. Iron catalyzed dehydrocoupling of amine- and phosphine-boranes. Israel Journal of Chemistry 57 (12) , pp. 1070-1081. 10.1002/ijch.201700018

Constantinides, Christos P., Carter, Emma

, Eisler, Dana, Beldjoudi, Yassine, Murphy, Damien Martin

and Rawson, Jeremy M. 2017. Effects of Halo-substitution on 2'-Chloro-5'-halo-phenyl-1,2,3,5-dithiadiazolyl Radicals: A Crystallographic, Magnetic and EPR Case Study. Crystal Growth and Design 17 (6) , pp. 3017-3029. 10.1021/acs.cgd.6b01700

Cooper, Bridgette, Girdlestone, Stephen, Burovskiy, Pavel, Gaydadjiev, Georgi, Averbukh, Vitali, Knowles, Peter J.

and Luk, Wayne 2017. Quantum chemistry in dataflow: Density-fitting MP2. Journal of Chemical Theory and Computation 13 (11) , pp. 5265-5272. 10.1021/acs.jctc.7b00649

Cortese, Remedios, Schimmenti, Roberto, Ferrante, Francesco, Prestianni, Antonio, Decarolis, Donato and Duca, Dario 2017. Graph-based analysis of ethylene glycol decomposition on a palladium cluster. Journal of Physical Chemistry C 121 (25) , pp. 13606-13616. 10.1021/acs.jpcc.7b00850

Craco, L., Faria, J. L. B. and Leoni, Stefano

2017. Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory. Materials Research Express 4 (3) , 036303. 10.1088/2053-1591/aa6296

Craco, L., Pereira, T. A. da Silva and Leoni, Stefano

2017. Electronic structure and thermoelectric transport of black phosphorus. Physical Review B 96 (7) , 075118. 10.1103/PhysRevB.96.075118

Craco, Luis, Laad, Mukul S. and Leoni, Stefano

2017. Microscopic description of insulator-metal transition in high-pressure oxygen. Scientific Reports 7 , 2632. 10.1038/s41598-017-02730-z

Craco, Luis and Leoni, Stefano

2017. Selective orbital reconstruction in tetragonal FeS: A density functional dynamical mean-field theory study. Scientific Reports 7 , 46439. 10.1038/srep46439

Crole, David Alexander 2017. The direct synthesis of hydrogen peroxide in water at ambient temperature: A study of reaction conditions, catalyst design and implementation. PhD Thesis, Cardiff University.

Item availability restricted.

Cudré, Yanouk, Franco de Carvalho, Felipe, Burgess, Gregory R., Male, Louise, Pope, Simon J. A.

, Tavernelli, Ivano and Baranoff, Etienne 2017. Tris-heteroleptic iridium complexes based on cyclometalated ligands with different cores. Inorganic Chemistry -American Chemical Society- 56 (19) , pp. 11565-11576. 10.1021/acs.inorgchem.7b01307

Curran, Christopher D., Lu, Li, Jia, Yue, Kiely, Christopher J.

, Berger, Bryan W. and McIntosh, Steven 2017. Direct single-enzyme biomineralization of catalytically active ceria and ceria-zirconia nanocrystals. ACS Nano 11 (3) , pp. 3337-3346. 10.1021/acsnano.7b00696

D'Agostino, Carmine, Brett, Gemma Louise, Divitini, Giorgio, Ducati, Caterina, Hutchings, Graham John

, Mantle, Michael D. and Gladden, Lynn F. 2017. Increased affinity of small gold particles for glycerol oxidation over Au/TiO2 probed by NMR relaxation methods. ACS Catalysis 7 (7) , pp. 4235-4241. 10.1021/acscatal.7b01255

Da Vià, Luigi, Recchi, Carlo, Gonzalez-Yañez, Edgar O., Davies, Thomas E. and Lopez-Sanchez, Jose A. 2017. Visible light selective photocatalytic conversion of glucose by TiO2. Applied Catalysis B: Environmental 202 , pp. 281-288. 10.1016/j.apcatb.2016.08.035

Damoyi, N.E., Friedrich, H.B., Kruger, H.G. and Willock, David J.

2017. Density functional theory studies of the uncatalysed gas-phase oxidative dehydrogenation conversion of n -hexane to hexenes. Computational and Theoretical Chemistry 1114 , pp. 153-164. 10.1016/j.comptc.2017.05.026

Dann, Ellie K., Gibson, Emma K., Catlow, Richard A.

, Collier, Paul, Eralp Erden, Tugce, Gianolio, Diego, Hardacre, Christopher, Kroner, Anna, Raj, Agnes, Goguet, Alexandre and Wells, Peter P. 2017. Combined in situ XAFS/DRIFTS studies of the evolution of nanoparticle structures from molecular precursors. Chemistry of Materials 29 (17) , pp. 7515-7523. 10.1021/acs.chemmater.7b02552

Davies, Catherine, Kondrat, Simon A. and Miedziak, Peter J. 2017. Precious metals for environmental catalysis: Gold. Hutchings, Graham, Davidson, Matthew, Catlow, Charles Richard A., Hardacre, Christopher, Turner, Nicholas and Collier, Paul, eds. Modern Developments in Catalysis, World Scientific Publishing, pp. 181-209. (10.1142/9781786341228_0006)

Davies, Scott 2017. Catalysis by gold. PhD Thesis, Cardiff University.

Item availability restricted.

De Almeida, Andreia

, Mosca, Andreia F., Wragg, Darren, Wenzel, Margot

, Kavanagh, Paul, Barone, Giampaolo, Leoni, Stefano

, Soveral, Graca and Casini, Angela

2017. The mechanism of aquaporin inhibition by gold compounds elucidated by biophysical and computational methods. Chemical Communications 53 (27) , pp. 3830-3833. 10.1039/C7CC00318H

de Boer, Jetske G., Robinson, Ailie, Powers, Stephen J., Burgers, Saskia L. G. E., Caulfield, John C., Birkett, Michael A., Smallegange, Renate C., van Genderen, Perry J. J., Bousema, Teun, Sauerwein, Robert W., Pickett, John

, Takken, Willem and Logan, James G. 2017. Odours of Plasmodium falciparum-infected participants influence mosquito-host interactions. Scientific Reports 7 , 9283. 10.1038/s41598-017-08978-9

De Keyser, Rien, Cassidy, Clare, Laban, Swathi, Gopal, Prakash, Pickett, John

, Reddy, Yarabolu K., Prasad, Minakshi, Prasad, Gaya, Chirukandoth, Sreekumar, Senthilven, Kandasamy, Carpenter, Simon and Logan, James G. 2017. Insecticidal effects of deltamethrin in laboratory and field populations of Culicoides species: how effective are host-contact reduction methods in India? Parasites & Vectors 10 , 54. 10.1186/s13071-017-1992-0

De Leo, Federica, Marega, Riccardo, Corvaglia, Valentina, Tondo, Rodolfo, Lo Cicero, Matteo, Silvestrini, Simone and Bonifazi, Davide

2017. Unfolding IGDQ peptides for engineering motogenic interfaces. Langmuir 33 (30) , pp. 7512-7528. 10.1021/acs.langmuir.6b04381

de Oliveira Filho, Jaires Gomes, Ferreira, Lorena Lopes, Sarria, André Lucio Franceschini, Pickett, John

, Birkett, Michael A., Mascarin, Gabriel Moura, de León, Adalberto A. Pérez and Borges, Lígia Miranda Ferreira 2017. Brown dog tick, Rhipicephalus sanguineus sensu lato, infestation of susceptible dog hosts is reduced by slow release of semiochemicals from a less susceptible host. Ticks and Tick-borne Diseases 8 (1) , pp. 139-145. 10.1016/j.ttbdis.2016.10.010

Delarmelina, Maicon

, Greco, Sandro J. and Carneiro, José W. de M. 2017. Single step mechanism for nucleophilic substitution of 2,3-dichloro naphthoquinone using nitrogen, oxygen and sulfur nucleophiles: A DFT approach. Tetrahedron 73 (30) , 4363 - 4370. 10.1016/j.tet.2017.05.095

Delarmelina, Maicon

, Marelli, Enrico, de M.Carneiro, José Walkimar, Nolan, Steven P. and Bühl, Michael 2017. Mechanism of the catalytic Carboxylation of alkylboronates with CO2 using Ni−NHC complexes: a DFT study. Chemistry - A European Journal 23 (59) , pp. 14954-14961. 10.1002/chem.201703567

Demiray, Melodi, Tang, Xiaoping, Wirth, Thomas

, Faraldos, Juan A. and Allemann, Rudolf K.

2017. An efficient chemoenzymatic synthesis of dihydroartemisinic aldehyde. Angewandte Chemie International Edition 56 (15) , pp. 4347-4350. 10.1002/anie.201609557

Demiray, Melodi, Tang, Xiaoping, Wirth, Thomas

, Faraldos, Juan A. and Allemann, Rudolf K.

2017. Effiziente chemoenzymatische Synthese von dhydroartemisinaldehyd. Angewandte Chemie 129 (15) , pp. 4411-4415. 10.1002/ange.201609557

Di Tommaso, Devis, Prakash, Muthuramalingam, Lemaire, Thibault, Lewerenz, Marius, De Leeuw, Nora

and Naili, Salah 2017. Molecular dynamics simulations of hydroxyapatite nanopores in contact with electrolyte solutions: the effect of nanoconfinement and solvated ions on the surface reactivity and the structural, dynamical, and vibrational properties of water. Crystals 7 (2) , 57. 10.3390/cryst7020057

Diwate, Kiran, Mohite, Kakasaheb, Shinde, Manish, Rondiya, Sachin, Pawbake, Amit, Date, Abhijit, Pathan, Habib and Jadkar, Sandesh 2017. Synthesis and characterization of chemical spray [yrolysed CZTS thin films for solar cell applications. Energy Procedia 110 , pp. 180-187. 10.1016/j.egypro.2017.03.125

Dosso, Jacopo

, Tasseroul, Jonathan, Fasano, Francesco, Marinelli, Davide, Biot, Nicolas, Fermi, Andrea and Bonifazi, Davide

2017. Synthesis and optoelectronic properties of hexa-peri -hexabenzoborazinocoronene. Angewandte Chemie 129 (16) , pp. 4554-4558. 10.1002/ange.201700907

Dosso, Jacopo

, Tasseroul, Jonathan, Fasano, Francesco, Marinelli, Davide, Biot, Nicolas, Fermi, Andrea and Bonifazi, Davide

2017. Synthesis and optoelectronic properties of hexa-peri -hexabenzoborazinocoronene. Angewandte Chemie International Edition 56 (16) , pp. 4483-4487. 10.1002/anie.201700907

Douthwaite, Mark, Huang, Xiaoyang, Iqbal, Sarwat, Miedziak, Peter, Brett, Gemma, Kondrat, Simon, Edwards, Jennifer

, Meenkshisundaram, Sankar

, Knight, David, Bethell, Donald and Hutchings, Graham

2017. The controlled catalytic oxidation of furfural to furoic acid using AuPd/Mg(OH)2. Catalysis Science & Technology 7 (22) , pp. 5284-5293. 10.1039/C7CY01025G

Duro-Castano, Aroa, Nebot, Vicent J., Niño-Pariente, Amaya, Armiñán, Ana, Arroyo-Crespo, Juan J., Paul, Alison

, Feiner-Gracia, Natalia, Albertazzi, Lorenzo and Vicent, María J. 2017. Capturing "extraordinary" soft-assembled charge-like polypeptides as a strategy for nanocarrier design. Advanced Materials 29 (39) , 1702888. 10.1002/adma.201702888

Dürüst, Yasar, Yıldız, Elif, Karakus, Hamza and Kariuki, Benson

2017. Novel sydnone derivatives carrying azidomethyl-1,2, 4-oxadiazole unit and their 1,3-dipolar cycloadditions. Synthetic Communications 47 (7) , pp. 660-670. 10.1080/00397911.2017.1279630

Dzade, Nelson Y.

2017. Periodic DFT+U investigation of the bulk and surface properties of marcasite (FeS2). Physical Chemistry Chemical Physics 19 (40) , pp. 27478-27488. 10.1039/C7CP04413E

Dzade, Nelson Y.

2017. Structures and properties of As(OH)3 adsorption complexes on hydrated mackinawite (FeS) surfaces: A DFT-D2 study. Environmental Science & Technology 51 (6) , pp. 3461-3470. 10.1021/acs.est.7b00107

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Alamri, Mesfer and Kariuki, Benson M.

2017. Crystal structure of 2-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1H-indene-1,3(2H)-dione, C28H19N5O2. Zeitschrift für Kristallographie - New Crystal Structures 232 (1) , pp. 19-20. 10.1515/ncrs-2016-0108

El-Hiti, Gamal A., Smith, Keith, Alamri, Mesfer, Morris, Ceri A., Kariuki, Benson

and Kille, Peter

2017. Crystal structure of 2-(bis(4-methoxyphenyl)amino)-2-oxoacetic acid, C16H15NO5. Zeitschrift für Kristallographie - New Crystal Structures 232 (2) 10.1515/ncrs-2016-0325

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2017. 1-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethanone. IUCrData 2 (12) 10.1107/S2414314617017825

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2017. Methyl 5-(1-benzofuran-2-yl)isoxazole-3-carboxylate. IUCrData 2 (12) 10.1107/S241431461701820X

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alshammari, Mohammed B., Hegazy, Amany S. and Kariuki, Benson M.

2017. Crystal structure of (E)-3-methyl-4-((3-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazol-4-yl)methylene)-1-phenyl-1H-pyrazol-5(4H)-one, C29H23N7O. Zeitschrift für Kristallographie - New Crystal Structures 232 (2) , pp. 291-293. 10.1515/ncrs-2016-0243

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Baashen, Mohammed, Hegazy, Amany S. and Kariuki, Benson M.

2017. Crystal structure of (E)-5-((4-chlorophenyl)diazenyl)-2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole, C23H17ClFN5S2. Zeitschrift für Kristallographie - New Crystal Structures 232 (1) 10.1515/ncrs-2016-0208

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Baashen, Mohammed, Hegazy, Amany S. and Kariuki, Benson M.

2017. Crystal structure of 3-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde, a rare Z' = 3 structure, C20H17N5O. Zeitschrift für Kristallographie - New Crystal Structures 232 (2) , pp. 313-315. 10.1515/ncrs-2016-0258

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Hegazy, Amany S. and Kariuki, Benson M.

2017. Crystal structure of (E)-2-(5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-5-((4-fluorophenyl)diazenyl)-4-methylthiazole, C23H17F2N5OS. Zeitschrift für Kristallographie - New Crystal Structures 232 (3) , pp. 413-415. 10.1515/ncrs-2016-0293

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Hegazy, Amany S and Kariuki, Benson

2017. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-1,3,4-thiadiazol-2-amine, C23H16ClN5S. Zeitschrift für Kristallographie - New Crystal Structures 232 (2) , pp. 317-319. 10.1515/ncrs-2016-0259

El-Hiti, Gamal A., Smith, Keith, Alshammari, Mohammed B., Hegazy, Amany S. and Kariuki, Benson M.

2017. Crystal structure of 1,1-dimethyl-3-(4-methoxyphenyl)urea, C10H14N2O2. Zeitschrift für Kristallographie - New Crystal Structures 232 (2) , pp. 279-281. 10.1515/ncrs-2016-0238

El-Hiti, Gamal A., Smith, Keith, Alshammari, Mohammed B., Hegazy, Amany S. and Kariuki, Benson

2017. Crystal structure of 3-(4-chlorophenyl)-1,1-dimethylthiourea, C9H11ClN2S. Zeitschrift für Kristallographie - New Crystal Structures 232 (1) , pp. 105-108. 10.1515/ncrs-2016-0171

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Hayal Alotaibi, Mohammad and Kariuki, Benson M.

2017. Crystal structure of 3-(2-bromophenyl)-1,1-dimethylthiourea, C9H11BrN2S. Zeitschrift für Kristallographie - New Crystal Structures 232 (1) , pp. 31-32. 10.1515/ncrs-2016-0116

El-Hiti, Gamal A, Smith, Keith, Hegazy, Amany s. and Kariuki, Benson

2017. Crystal structure of 1,1-dimethyl-3-(4-methylphenyl)urea, C10H14N2O. Zeitschrift für Kristallographie - New Crystal Structures 232 (2) , pp. 329-330. 10.1515/ncrs-2016-0290

Engel, Rebecca, Kaluza, Stefan, Oezaslan, Mehtap and Peitz, Stephan 2017. German catalysis meeting - 50 years and as young as ever. ChemCatChem 9 (11) , pp. 2018-2020. 10.1002/cctc.201700683

Evans, Christopher Dean 2017. Glycerol oxidation: An investigation into the control of product distribution and mechanistic pathways using novel supports. PhD Thesis, Cardiff University.

Item availability restricted.

Everett, M. and Wass, D. F.

2017. Highly productive CO2 hydrogenation to methanol – a tandem catalytic approach via amide intermediates. Chemical Communications 53 (68) , pp. 9502-9504. 10.1039/C7CC04613H

Fancello, Francesco, Zara, Severino, Petretto, Giacomo Luigi, Chessa, Mario, Addis, Roberta, Rourke, Jonathan P

and Pintore, Giorgio 2017. Essential oils from three species of Mentha harvested in Sardinia: chemical characterization and evaluation of their biological activity. International Journal of Food Properties 20 (S2) , pp. 1751-1761. 10.1080/10942912.2017.1354020

Fang, Huihuang, Zheng, Jianwei, Luo, Xiaolin, Du, Junmou, Roldan Martinez, Alberto

, Leoni, Stefano

and Yuan, Youzhu 2017. Product tunable behavior of carbon nanotubes-supported Ni?Fe catalysts for guaiacol hydrodeoxygenation. Applied Catalysis A: General 529 , pp. 20-31. 10.1016/j.apcata.2016.10.011

Fang, Lin, Jing, Fangli, Lu, Jingya, Hu, Bingwen and Pera-Titus, Marc 2017. Nano-flowered Ce@MOR hybrids with modulated acid properties for the vapor-phase dehydration of 1,3-butanediol into butadiene. Green Chemistry 19 (19) , pp. 4610-4621. 10.1039/C7GC02223A

Farrell, David, Kingston, Samuel, Tungulin, Dmitri, Nuzzo, Stefano, Twamley, Brendan, Platts, James A.

and Baker, Robert J. 2017. N-Aryl-9,10-phenanthreneimines as scaffolds for exploring non-covalent interactions: a structural and computational study. European Journal of Organic Chemistry 2017 (37) , pp. 5597-5609. 10.1002/ejoc.201700884

Farrow, Matthew R., Buckeridge, John, Lazauskas, Tomas, Mora-Fonz, David, Scanlon, David O., Catlow, C. Richard A.

, Woodley, Scott M. and Sokol, Alexey A. 2017. Heterostructures of GaN with SiC and ZnO enhance carrier stability and separation in framework semiconductors. Physica Status Solidi a Applications and Materials Science 214 (4) , 1600440. 10.1002/pssa.201600440

Fasano, Francesco 2017. Synthesis of Boron-Nitrogen-Carbon (BNC) hybrid materials: From 2D doped polyphenylenes to 3D porous architectures. PhD Thesis, Cardiff University.

Item availability restricted.

Fechete, Ioana, Idriss, Hicham, Hutchings, Graham

, Bond, Geoffrey and Garin, François 2017. Catalytic reactivity of surfaces: in recognition of François Gault. Catalysis Science & Technology 7 (22) , p. 5181. 10.1039/C7CY90088K

Folgueiras Amador, Ana Alicia 2017. Design and manufacture of an electrochemical flow reactor, and its application in organic electrosynthesis. PhD Thesis, Cardiff University.

Item availability restricted.

Folgueiras-Amador, Ana A., Philipps, Kai, Guilbaud, Sebastien, Poelakker, Jarno and Wirth, Thomas

2017. An easy-to-machine electrochemical flow microreactor: efficient synthesis of isoindolinone and flow functionalization. Angewandte Chemie International Edition 56 (48) , pp. 15446-15450. 10.1002/anie.201709717

Folgueiras-Amador, Ana and Wirth, Thomas

2017. Perspectives in flow electrochemistry. Journal of Flow Chemistry 7 (3-4) , pp. 94-95. 10.1556/1846.2017.00020

Freakley, Simon J., Ruiz Esquius, Jonathan and Morgan, David John

2017. The X-ray photoelectron spectra of Ir, IrO2 and IrCl3 revisited. Surface and Interface Analysis 49 (8) , pp. 794-799. 10.1002/sia.6225

Fu, Jile, He, Qian

, Miedziak, Peter J., Brett, Gemma Louise, Huang, Xiaoyang, Pattisson, Samuel, Douthwaite, Mark and Hutchings, Graham John

2017. The role of Mg(OH)2 in the so-called 'base-free' oxidation of glycerol with AuPd catalysts. Chemistry - A European Journal 24 (10) , pp. 2396-2402. 10.1002/chem.201704151

Gabano, Elisabetta, Perin, Elena, Fielden, Catherine, Platts, James Alexis

, Gallina, Andrea, Rangone, Beatrice and Ravera, Mauro 2017. How to obtain Pt(IV) complexes suitable for the conjugation to nanovectors from the oxidation of [PtCl(terpyridine)]+. Dalton Transactions 46 (31) , pp. 10246-10254. 10.1039/C7DT01706E

Gardner, Diane

, Herbert, Daniel, Jayaprakash, Monica, Jefferson, Anthony

and Paul, Alison

2017. Capillary flow characteristics of an autogenic and autonomic healing agent for self-healing concrete. Journal of Materials in Civil Engineering 29 (11) , pp. 171-184. 10.1061/(ASCE)MT.1943-5533.0002092

Gaur, Ruchi, Choubey, Diksha Kumari, Usman, Mohammad, Ward, Benjamin

, Roy, Jagat Kumar and Mishra, Lallan 2017. Synthesis, structures, nuclease activity, cytotoxicity, DFT and molecular docking studies of two nitrato bridged homodinuclear (Cu-Cu, Zn-Zn) complexes containing 2,2?-bipyridine and a chalcone derivative. Journal of Photochemistry and Photobiology B: Biology 173 , pp. 650-660. 10.1016/j.jphotobiol.2017.07.005

Gentile, Carla, Martorana, Annamaria, Lauria, Antonino and Bonsignore, Riccardo

2017. Kinase inhibitors in multitargeted cancer therapy. Current Medicinal Chemistry 24 (16) , pp. 1671-1686. 10.2174/0929867324666170112112734

Ghabbour, Hazem A., Abdel-Wahab, Bakr F., Alamri, Mesfer, Al-Omar, Mohamed A. and El-Hiti, Gamal A. 2017. Crystal structure of 2-(5-(4-fluorophenyl)-3-p-tolyl-4,5-dihydro-1H-pyrazol-1-yl)-4-(5-methyl-1-p-tolyl-1H-1,2,3-triazol-4-yl)thiazole, C29H25FN6S. Zeitschrift für Kristallographie - New Crystal Structures 232 (1) , pp. 21-23. 10.1515/ncrs-2016-0110

Ghanim, Amany, Knight, David William, Rutkowski, Piotr, Osman, Nermine A., Abdel-Fattah, Hanan A. and Kadry, Azza M. 2017. A novel method for the synthesis of 1-aryltetrahydroisoquinolines. Tetrahedron Letters 58 (4) , pp. 294-297. 10.1016/j.tetlet.2016.11.115

Ghosh, S., Xie, M., Bowen, C.R., Davies, P.R.

, Morgan, D.J.

and Mandal, D. 2017. A hybrid strain and thermal energy harvester based on an infra-red sensitive Er3+ modified poly(vinylidene fluoride) ferroelectret structure. Scientific Reports 7 (1) , 16703. 10.1038/s41598-017-16822-3

Gibson, Emma K., Stere, Cristina E., Curran-McAteer, Bronagh, Jones, Wilm, Cibin, Giannantonio, Gianolio, Diego, Goguet, Alexandre, Wells, Peter P., Catlow, C. Richard A.

, Collier, Paul, Hinde, Peter and Hardacre, Christopher 2017. Probing the role of a non-thermal plasma (NTP) in the hybrid NTP catalytic oxidation of methane. Angewandte Chemie International Edition 56 (32) , pp. 9351-9355. 10.1002/anie.201703550

Giorgi, Pascal D., Miedziak, Peter J., Edwards, Jennifer K.

and Antoniotti, Sylvain 2017. Bicatalytic multistep reactions en route to the one-pot total synthesis of complex molecules: easy access to chromene and 1,2-dihydroquinoline derivatives from simple substrates. ChemCatChem 9 (1) , pp. 70-75. 10.1002/cctc.201600925

Girasolo, Maria Assunta, Tesoriere, Luisa, Casella, Girolamo, Attanzio, Alessandro, Capobianco, Massimo L., Sabatino, Piera, Barone, Giampaolo, Rubino, Simona and Bonsignore, Riccardo

2017. A novel compound of triphenyltin(IV) with N-tert-butoxycarbonyl-L-ornithine causes cancer cell death by inducing a p53-dependent activation of the mitochondrial pathway of apoptosis. Inorganica Chimica Acta 456 , pp. 1-8. 10.1016/j.ica.2016.11.012

Goswami, Subhadip, Miller, Claire E., Logsdon, Jenna L., Buru, Cassandra T., Wu, Yi-Lin

, Bowman, David N., Islamoglu, Timur, Asiri, Abdullah M., Cramer, Christopher J., Wasielewski, Michael R., Hupp, Joseph T. and Farha, Omar K. 2017. Atomistic approach toward selective photocatalytic oxidation of a mustard-gas simulant: A case study with heavy-chalcogen-containing PCN-57 analogues. ACS Applied Materials and Interfaces 9 (23) , pp. 19535-19540. 10.1021/acsami.7b07055

Graziani, Valentina, Marrone, Alessandro, Re, Nazzareno, Coletti, Cecilia, Platts, James A.

and Casini, Angela

2017. A multilevel theoretical study to disclose the binding mechanisms of gold(III) bipyridyl compounds as selective aquaglyceroporin inhibitors. Chemistry - a European Journal 23 (55) , pp. 13802-13813. 10.1002/chem.201703092

Gregory, Daniel G., Guo, Qianying, Lu, Li, Kiely, Christopher J.

and Snyder, Mark A. 2017. Template-induced structuring and tunable polymorphism of three-dimensionally ordered mesoporous (3DOm) metal oxides. Langmuir 33 (26) , pp. 6601-6610. 10.1021/acs.langmuir.7b01112

Gregory, Daniel G., Lu, Li, Kiely, Christopher J.

and Snyder, Mark A. 2017. Interfacial stabilization of metastable TiO2 films. Journal of Physical Chemistry C 121 (8) , pp. 4434-4442. 10.1021/acs.jpcc.6b12943

Groves, Lara M., Schotten, Christiane, Beames, Joseph

, Coles, Simon J., Horton, Peter N., Browne, Duncan L.

2017. From ligand to phosphor: rapid, machine-assisted synthesis of substituted iridium(III) pyrazolate complexes with tuneable luminescence. Chemistry - A European Journal 23 (39) , pp. 9407-9418. 10.1002/chem.201701551

Groves, Lara 2017. Luminescent and electrochemical probes based on Au(I), Ir(III) and Fe(II) coordination complexes for bioimaging, diagnostics and therapeutics. PhD Thesis, Cardiff University.

Item availability restricted.

Guadix Montero, Susana, Alshammari, Hamed, Dalebout, Remco, Nowicka, Ewa

, Shaw, Greg, He, Qian

2017. Deactivation studies of bimetallic AuPd nanoparticles supported on MgO during selective aerobic oxidation of alcohols. Applied Catalysis A: General 546 , pp. 58-66. 10.1016/j.apcata.2017.07.045

Hahn, Eva, Estrada-Ortiz, Natalia, Han, Jiaying, Ferreira, Vera F. C., Kapp, Tobias, Correia, Joao D. G., Casini, Angela

and Kühn, Fritz E. 2017. Functionalization of Ruthenium(II) terpyridine complexes with cyclic RGD peptides to target integrin receptors in cancer cells. European Journal of Inorganic Chemistry 2017 (12) , pp. 1667-1672. 10.1002/ejic.201601094

Hamilton, Hugh and Wass, Duncan F.

2017. How important are radical mechanisms in frustrated Lewis Pair chemistry? Chem 3 (2) , pp. 198-199. 10.1016/j.chempr.2017.07.003
Item availability restricted.

Hammond, Ceri

2017. Sn-substituted zeolites as heterogeneous catalysts for liquid-phase catalytic technologies. Fornasiero, Paolo and Cargnello, Matteo, eds. Studies in Surface Science and Catalysis, Vol. 177. Elsevier, pp. 567-611. (10.1016/B978-0-12-805090-3.00015-2)

Hammond, Ceri

2017. Green chemistry emerging investigators 2017 themed issue. Green Chemistry 19 (12) , pp. 2707-2710. 10.1039/c7gc90063e

Hammond, Ceri

2017. Intensification studies of heterogeneous catalysts: probing and overcoming catalyst deactivation during liquid phase operation. Green Chemistry 19 (12) , pp. 2711-2728. 10.1039/C7GC00163K

Han, J., Schmidt, A., Zhang, T., Permentier, H., Groothuis, G. M. M., Bischoff, R., Kühn, F. E., Horvatovich, P. and Casini, A.

2017. Bioconjugation strategies to couple supramolecular exo-functionalized palladium cages to peptides for biomedical applications. Chemical Communications 53 (8) , pp. 1405-1408. 10.1039/C6CC08937B

Harrhy, Jonathan 2017. Using hydrogen peroxide derived in-situ for oxidation reactions: applications in greywater sterilisation and the development of new Pd-SnO2 catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Harris, Kenneth D.M.

, Hughes, Colan, Williams, Philip Andrew and Edwards-Gau, Gregory R. 2017. `NMR Crystallization': in-situ NMR techniques for time-resolved monitoring of crystallization processes. Acta Crystallographica Section C Structural Chemistry C73 (3) , pp. 137-148. 10.1107/S2053229616019811

Harris, Kenneth David Maclean

2017. Explorations in the dynamics of crystalline solids and the evolution of crystal formation processes. Israel Journal of Chemistry 57 , pp. 154-170. 10.1002/ijch.201600088

Hartnett, Patrick E., Mauck, Catherine M., Harris, Michelle A., Young, Ryan M., Wu, Yi-Lin

, Marks, Tobin J. and Wasielewski, Michael R. 2017. Influence of anion delocalization on electron transfer in a covalent porphyrin donor-perylenediimide dimer acceptor system. Journal of the American Chemical Society 139 (2) , pp. 749-756. 10.1021/jacs.6b10140

Hatcher, Lauren E.

and Raithby, Paul R. 2017. The impact of hydrogen bonding on 100% photo-switching in solid-state nitro-nitrito linkage isomers. CrystEngComm 19 (42) 10.1039/C7CE01366C

Hayward, James S., Smith, Paul J., Kondrat, Simon A., Bowker, Michael

2017. The effects of secondary oxides on copper-based catalysts for green methanol synthesis. ChemCatChem 9 (9) , pp. 1655-1662. 10.1002/cctc.201601692

He, Qian

, Sun, Mingzi, Kuang, Xiao-jun, Huang, Bolong, Ye, Shi and Zhang, Qin-yuan 2017. Unraveling the correlation between oxide-ion motion and upconversion luminescence in bLa2Mo2O9:Yb3+,Er3+ derivatives. Journal of Materials Chemistry C 5 (42) , pp. 10965-10970. 10.1039/C7TC03695G

Hellier, Pip, Wells, Peter P, Gianolio, Diego and Bowker, Michael

2017. VOx/Fe2O3 Shell-Core Catalysts for the selective oxidation of methanol to formaldehyde. Topics in Catalysis 10.1007/s11244-017-0873-2

Hernandez-Tamargo, Carlos E., Roldan Martinez, Alberto

, Ngoepe, Phuti E. and De Leeuw, Nora

2017. Periodic modeling of zeolite Ti-LTA. Journal of Chemical Physics 147 (7) , 074701. 10.1063/1.4998296

Hernandez-Tamargo, Carlos E, Roldan Martinez, Alberto

2017. Density functional theory study of the zeolite-mediated tautomerization of phenol and catechol. Molecular Catalysis 433 , pp. 334-345. 10.1016/j.mcat.2016.12.020

Hernandez, Naiara, Iniesta, Jesus, Leguey, Vicente Montiel, Armstrong, Robert, Taylor, Stuart H.

, Madrid, Elena, Rong, Yuanyang, Castaing, Rémi, Malpass-Evans, Richard, Carta, Mariolino, McKeown, Neil B. and Marken, Frank 2017. Carbonization of polymers of intrinsic microporosity to microporous heterocarbon: Capacitive pH measurements. Applied Materials Today 9 , pp. 136-144. 10.1016/j.apmt.2017.06.003

Hirata, So, Doran, Alexander E., Knowles, Peter J.

and Ortiz, J. V. 2017. One-particle many-body Green's function theory: Algebraic recursive definitions, linked-diagram theorem, irreducible-diagram theorem, and general-order algorithms. Journal of Chemical Physics 147 (4) , 044108. 10.1063/1.4994837

Hokamp, Tobias, Dewanji, Abhishek, Lübbesmeyer, Maximilian, Mück-Lichtenfeld, Christian, Würthwein, Ernst-Ulrich and Studer, Armido 2017. Radical hydrodehalogenation of aryl bromides and chlorides with sodium hydride and 1,4-Dioxane. Angewandte Chemie - International Edition 56 (43) , pp. 13275-13278. 10.1002/anie.201706534

Hossain, M.R., Wray, D., Paul, Alison

and Griffiths, P.C. 2017. Probing the surfaces of core-shell and hollow nanoparticles by solvent relaxation NMR. Magnetic Resonance in Chemistry 56 (4) , pp. 251-256. 10.1002/mrc.4707

Howard, Joseph L., Sagatov, Yerbol, Repusseau, Laura, Schotten, Christiane and Browne, Duncan L.

2017. Controlling reactivity through liquid assisted grinding: the curious case of mechanochemical fluorination. Green Chemistry 12 , pp. 2798-2802. 10.1039/C6GC03139K

Howard, Joseph L., Nicholson, William, Sagatov, Yerbol and Browne, Duncan L.

2017. One-pot multistep mechanochemical synthesis of fluorinated pyrazolones. Beilstein Journal of Organic Chemistry 13 , pp. 1950-1956. 10.3762/bjoc.13.189

Howard, Joseph L., Schotten, Christiane and Browne, Duncan L.

2017. Continuous flow synthesis of antimalarials: opportunities for distributed autonomous chemical manufacturing. Reaction Chemistry and Engineering 2 (3) , pp. 281-287. 10.1039/C7RE00034K

Hughes, Robert L., Johnson, Luke A.

, Behiry, Enas M., Loveridge, Edric Joel and Allemann, Rudolf Konrad

2017. A rapid analysis of variations in conformational behavior during dihydrofolate reductase catalysis. Biochemistry 56 (15) , pp. 2126-2133. 10.1021/acs.biochem.7b00045

Hughes, Colan E., Reddy, G. N. Manjunatha, Masiero, Stefano, Brown, Steven P., Williams, P. Andrew and Harris, Kenneth D. M.

2017. Determination of a complex crystal structure in the absence of single crystals: analysis of powder X-ray diffraction data, guided by solid-state NMR and periodic DFT calculations, reveals a new 2'-deoxyguanosine structural motif. Chemical Science 8 (5) , pp. 3971-3979. 10.1039/C7SC00587C

Hutchings, Graham John

, Carter, James, Liu, Xi, He, Qian

, Althahban, Sultan, Nowicka, Ewa

, Freakley, Simon, Niu, Liwei, Morgan, David

, Li, Yongwang, Niemantsverdriet, Hans

, Golunski, Stanislaw

and Kiely, Christopher

2017. New insights into the activation and deactivation of Au/CeZrO4 in the low-temperature water-gas shift reaction. Angewandte Chemie International Edition 56 (50) , pp. 16037-16041. 10.1002/anie.201709708

Iqbal, Sarwat, Shozi, M. L. and Morgan, David John

2017. X-ray induced reduction of rhenium salts and supported oxide catalysts. Surface and Interface Analysis 49 (3) , pp. 223-226. 10.1002/sia.6076

Irrera, Simona, Ruiz-Hernandez, Sergio E.

, Reggente, Melania, Passeri, Daniele, Natali, Marco, Gala, Fabrizio, Zollo, Giuseppe, Rossi, Marco and Portalone, Gustavo 2017. Self-assembling of calcium salt of the new DNA base 5-carboxylcytosine. Applied Surface Science 407 , pp. 297-306. 10.1016/j.apsusc.2017.02.171

Ishikawa, Satoshi, Jones, Daniel R., Iqbal, Sarwat, Reece, Christian, Morgan, David J.

, Miedziak, Peter J., Bartley, Jonathan K.

, Murayama, Toru, Ueda, Wataru and Hutchings, Graham J.

2017. Identification of the catalytically active component of Cu–Zr–O catalyst for the hydrogenation of levulinic acid to γ-valerolactone. Green Chemistry 19 (1) , pp. 225-236. 10.1039/C6GC02598F

Ishikawa, Satoshi, Goto, Yoshinori, Kawahara, Yoshito, Inukai, Shoma, Hiyoshi, Norihito, Dummer, Nicholas

, Murayama, Toru, Yoshida, Akihiro, Sadakane, Masahiro and Ueda, Wataru 2017. Synthesis of crystalline microporous Mo−V−Bi oxide for selective (Amm)oxidation of light alkanes. Chemistry of Materials 29 (7) , pp. 2939-2950. 10.1021/acs.chemmater.6b05224

Ivars-Barceló, Francisco, Hutchings, Graham j.

, Bartley, Jonathan K.

, Sutter, Peter, Amorós, Pedro, Sanchis, Rut and Solsona, Benjamín 2017. Relationship between bulk phase, near surface and outermost atomic layer of VPO catalysts and their catalytic performance in the oxidative dehydrogenation of ethane. Journal of Catalysis 354 , pp. 236-249. 10.1016/j.jcat.2017.08.020

Jadhavar, Ashok, Pawbake, Amit, Waykar, Ravindra, Jadkar, Vijaya, Kulkarni, Rupali, Bhorde, Ajinkya, Rondiya, Sachin, Funde, Adinath, Patil, Dinkar, Date, Abhijit, Pathan, Habib and Jadkar, Sandesh 2017. Growth of hydrogenated nano-crystalline silicon (nc-Si:H) films by plasma enhanced chemical vapor deposition (PE-CVD). Energy Procedia 110 , pp. 45-52. 10.1016/j.egypro.2017.03.104

James Martin, David, Decarolis, Donato, Odarchenko, Yaroslav I., Herbert, Jennifer J., Arnold, Thomas, Rawle, Jonathan, Nicklin, Chris, Boyen, Hans-Gerd and Beale, Andrew M. 2017. Reversible restructuring of supported Au nanoparticles during butadiene hydrogenation revealed by operando GISAXS/GIWAXS. Chemical Communications 53 (37) , p. 5159. 10.1039/C7CC01887H

Jana, Atanu, Pope, Simon

and Ward, Michael D. 2017. D → f energy transfer in heteronuclear Ir(III)/Ln(III) near-infrared luminescent complexes. Polyhedron 127 , pp. 390-395. 10.1016/j.poly.2017.02.016

Jang, Jae Hyuck, Kim, Young-Min, He, Qian

, Mishra, Rohan, Qiao, Liang, Biegalski, Michael D., Lupini, Andrew R., Pantelides, Sokrates T., Pennycook, Stephen J., Kalinin, Sergei V. and Borisevich, Albina Y. 2017. In situ observation of oxygen vacancy dynamics and ordering in the epitaxial LaCoO3 system. ACS Nano 11 (7) , pp. 6942-6949. 10.1021/acsnano.7b02188

Jiao, Yilai, Fan, Xiaolei, Perdjon, Michal

, Yang, Zhenming and Zhang, Jinsong 2017. Vapor-phase transport (VPT) modification of ZSM-5/SiC foam catalyst using TPAOH vapor to improve the methanol-to-propylene (MTP) reaction. Applied Catalysis A: General 545 , pp. 104-112. 10.1016/j.apcata.2017.07.036

Jin, Yi

, Molt, Robert W. and Blackburn, G. . Michael 2017. Metal fluorides: tools for structural and computational analysis of phosphoryl transfer enzymes. Topics in Current Chemistry 375 (2) , 36. 10.1007/s41061-017-0130-y

Jin, Yi

, Molt Jr., Robert W., Pellegrini, Erika, Cliff, Matthew J., Bowler, Matthew W., Richards, Nigel G. J.

, Blackburn, G. Michael and Waltho, Jonathan P. 2017. Assessing the influence of mutation on GTPase transition states by using x-ray crystallography, 19F NMR, and DFT approaches. Angewandte Chemie International Edition 56 (33) , pp. 9732-9735. 10.1002/anie.201703074

Jin, Yi

, Richards, Nigel G. J.

, Waltho, Jonathan P. and Blackburn, G. Michael 2017. Metal fluorides as analogues for studies on phosphoryl transfer enzymes. Angewandte Chemie - International Edition 56 (15) , pp. 4110-4128. 10.1002/anie.201606474

Jing, Fangli, Katryniok, Benjamin, Paul, Sébastien, Fang, Lin, Liebens, Armin, Shen, Ming, Hu, Bingwen, Dumeignil, Franck and Pera-Titus, Marc 2017. Al-doped SBA-15 catalysts for low-temperature dehydration of 1,3-butanediol into butadiene. ChemCatChem 9 (2) , pp. 258-262. 10.1002/cctc.201601202

Jobbins, Samuel A. 2017. On the use and development of advanced computational techniques to determine the properties and behaviour of metastable materials. PhD Thesis, Cardiff University.

Item availability restricted.

Jones, Wilm Vincent, Martin, David James, Caravaca, Angel, Beale, Andrew M., Bowker, Michael

, Maschmeyer, Thomas, Hartley, Gareth and Masters, Anthony 2017. A comparison of photocatalytic reforming reactions of methanol and triethanolamine with Pd supported on titania and graphitic carbon nitride. Applied Catalysis B: Environmental 10.1016/j.apcatb.2017.01.042

Jones, Corey L., Marsden, Elizabeth A., Nevin, Adam C., Kariuki, Benson M.

, Bhadbhade, Mohan M., Martin, Adam D. and Easun, Timothy L.

2017. Investigating the geometrical preferences of a flexible benzimidazolone-based linker in the synthesis of coordination polymers. Royal Society Open Science 4 (12) , 171064. 10.1098/rsos.171064

Jürgens, Sophie, Scalcon, Valeria, Estrada-Ortiz, Natalia, Folda, Alessandra, Tonolo, Federica, Jandl, Christian, Browne, Duncan L.

, Rigobello, Maria Pia, Kühn, Fritz E. and Casini, Angela

2017. Exploring the C^N^C theme: Synthesis and biological properties of tridentate cyclometalated gold(III) complexes. Bioorganic & Medicinal Chemistry 10.1016/j.bmc.2017.08.001

Jürgens, Sophie and Casini, Angela

2017. Mechanistic insights into gold organometallic compounds and their biomedical applications. Chimia 71 (3) , pp. 92-101. 10.2533/chimia.2017.92

Jürgens, Sophie and Casini, Angela

2017. Mechanistic insights into gold organometallic compounds and their biomedical application [Correction]. Chimia 71 (5) , p. 308. 10.2533/chimia.2017.308

Karaca, Özden, Meier-Menches, Samuel, Casini, Angela

and Kühn, Fritz E. 2017. On the binding modes of metal NHC complexes with DNA secondary structures: implications for therapy and imaging. Chemical Communications 59 , pp. 8249-8260. 10.1039/C7CC03074F

Karaca, Özden, Scalcon, Valeria, Meier-Menches, Samuel M., Bonsignore, Riccardo

, Brouwer, Jurriaan M. J. L., Tonolo, Federica, Folda, Alessandra, Rigobello, Maria Pia, Kühn, Fritz E. and Casini, Angela

2017. Characterization of hydrophilic gold(I) N-Heterocyclic Carbene (NHC) complexes as potent TrxR inhibitors using biochemical and mass spectrometric approaches. Inorganic Chemistry 10.1021/acs.inorgchem.7b02345

Kariuki, Benson

and El-Hiti, Gamal 2017. A reversible single-crystal to single-crystal thermal phase transformation of 3-(2-Bromo-4-(1-methylethyl)phenyl)-1,1-dimethyl urea. Crystals 7 (3) , 75. 10.3390/cryst7030075

Kellici, Suela, Acord, John, Power, Nicholas P., Morgan, David John

, Coppo, Paolo, Heil, Tobias and Saha, Basudeb 2017. Rapid synthesis of graphene quantum dots using a continuous hydrothermal flow synthesis approach. RSC Advances 7 (24) , pp. 14716-14720. 10.1039/C7RA00127D

Khan, Zainab, Dummer, Nicholas F.

and Edwards, Jennifer K.

2017. Silver palladium catalysts for the direct synthesis of hydrogen peroxide. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 376 (2110) 10.1098/rsta.2017.0058

Khan, Imtiaz, Manzotti, Mattia

, Tizzard, Graham J., Coles, Simon J., Melen, Rebecca L.

2017. Frustrated Lewis pair (FLP)-catalyzed hydrogenation of aza-Morita–Baylis–Hillman adducts and sequential organo-FLP catalysis. ACS Catalysis 7 (11) , pp. 7748-7752. 10.1021/acscatal.7b03077

Khasu, Motlokoa, Nyathi, Thulani, Morgan, David

, Claeys, Michael and Fischer, Nico 2017. Co3O4 morphology in the preferential oxidation of CO. Catalysis Science & Technology 7 (20) , pp. 4806-4817. 10.1039/C7CY01194F

Khoj, Manal A, Hughes, Colan Evan, Harris, Kenneth David Maclean

2017. Structural diversity of solid solutions formed between 3-chloro-trans-cinnamic acid and 3-bromo-trans-cinnamic acid. Crystal Growth and Design 17 (3) , pp. 1276-1284. 10.1021/acs.cgd.6b01675

Kondrat, Simon A., Smith, Paul J., Carter, James H., Hayward, James S., Pudge, Geoffrey J., Shaw, Greg, Spencer, Michael S., Bartley, Jonathan K.

2017. The effect of sodium species on methanol synthesis and water-gas shift Cu/ZnO catalysts: utilising high purity zincian georgeite. Faraday Discussions 197 , pp. 287-307. 10.1039/C6FD00202A

Korobeishchikov, N. G., Stishenko, P. V., Popenko, Y. A., Roenko, M. A. and Nikolaev, I. V. 2017. Interaction of accelerated argon cluster ions with a silicon dioxide surface. Presented at: 2017 International Scientific Conference on Oil and Gas Engineering (OGE), Omsk, Russian Federation, 24-28 April 2017. AIP Conference Proceedings. , vol.1876 American Institute of Physics, 020064. 10.1063/1.4998884

Kremleva, A., Aparicio Sanchez, Pablo

, Genest, A. and Rosch, N. 2017. Quantum chemical modeling of tri-Mn-substituted W-based Keggin polyoxoanions. Electrochimica Acta 231 , pp. 659-669.

Kubiak, Marco and Tinsley, Matthew C. 2017. Sex-specific Rroutes to immune senescence In Drosophila melanogaster. Scientific Reports 7 (1) , 10417. 10.1038/s41598-017-11021-6

Kulkarni, Rupali, Rondiya, Sachin, Pawbake, Amit, Waykar, Ravindra, Jadhavar, Ashok, Jadkar, Vijaya, Bhorde, Ajinkya, Date, Abhijit, Pathan, Habib and Jadkar, Sandesh 2017. Structural and optical properties of CdTe thin films deposited using RF Magnetron sputtering. Energy Procedia 110 , pp. 188-195. 10.1016/j.egypro.2017.03.126

Kwawu, Caroline R., Tia, Richard, Adei, Evans, Dzade, Nelson Y.

, Catlow, Charles Richard A.

2017. CO2 activation and dissociation on the low miller index surfaces of pure and Ni-coated iron metal: a DFT study. Physical Chemistry Chemical Physics 19 (29) , pp. 19478-19486. 10.1039/C7CP03466K

Kwawu, Caroline R., Tia, Richard, Adei, Evans, Dzade, Nelson Y., Catlow, Charles Richard

2017. Effect of nickel monolayer deposition on the structural and electronic properties of the low miller indices of (bcc) iron: A DFT study. Applied Surface Science 400 , pp. 293-303. 10.1016/j.apsusc.2016.12.187

Laassiri, Said, Zeinalipour-Yazdi, Constantinos D., Catlow, Charles Richard A.

and Hargreaves, Justin S. J. 2017. Nitrogen transfer properties in tantalum nitride based materials. Catalysis Today 286 , pp. 147-154. 10.1016/j.cattod.2016.06.035

Lai, Shu-Jung, Tu, I-Fan, Wu, Wan-Ling, Yang, Jhih-Tian, Luk, Louis Y. P.

, Lai, Mei-Chin, Tsai, Yu-Hsuan

and Wu, Shih-Hsiung 2017. Site-specific His/Asp phosphoproteomic analysis of prokaryotes reveals putative targets for drug resistance. BMC Microbiology 17 (1) , 123. 10.1186/s12866-017-1034-2

Langdon-Jones, Emily E., Williams, Catrin

, Hayes, Anthony, Lloyd, David

, Coles, Simon J., Horton, Peter N., Groves, Lara and Pope, Simon

2017. Luminescent 1,8-Naphthalimide-Derived ReI Complexes: syntheses, spectroscopy, X-ray structure and preliminary bioimaging in fission yeast cells. European Journal of Inorganic Chemistry 2017 (44) , pp. 5279-5287. 10.1002/ejic.201700549

Lawson, James R. and Melen, Rebecca L.

2017. Recent developments and applications of Lewis acidic boron reagents. Fairlamb, Ian, Lynam, Jason M, Patmore, Nathan J and Elliott, Paul, eds. Organometallic Chemistry, Vol. 41. Royal Society of Chemistry, pp. 1-27. (10.1039/9781782626923-00001)

Lawson, James R. and Melen, Rebecca

2017. Tris(pentafluorophenyl)borane and beyond: modern advances in borylation chemistry. Inorganic Chemistry 56 (15) , pp. 8627-8643. 10.1021/acs.inorgchem.6b02911

Lawson, James, Wilkins, Lewis and Melen, Rebecca

2017. Tris(2,4,6-trifluorophenyl)borane: an efficient hydroboration catalyst. Chemistry - a European Journal 23 (46) , pp. 10997-11000. 10.1002/chem.201703109

Laybourn, Andrea, Katrib, Juliano, Ferrari-John, Rebecca S., Morris, Christopher G., Yang, Sihai, Udoudo, Ofonime, Easun, Timothy

, Dodds, Chris, Champness, Neil R., Kingman, Samuel W. and Schröder, Martin 2017. Metal-organic frameworks in seconds via selective microwave heating. Journal of Materials Chemistry A 16 , pp. 7333-7338. 10.1039/C7TA01493G

Lewis, Richard, Edwards, Jennifer

, Freakley, Simon and Hutchings, Graham

2017. Solid acid additives as recoverable promoters for the direct synthesis of hydrogen peroxide. Industrial & Engineering Chemistry Research 56 (45) , pp. 13287-13293. 10.1021/acs.iecr.7b01800

Li, S., Li, Z., Burnett, T.L., Slater, T.J.A.

, Hashimoto, T. and Young, R.J. 2017. Nanocomposites of graphene nanoplatelets in natural rubber: microstructure and mechanisms of reinforcement. Journal of Materials Science 52 (16) , pp. 9558-9572. 10.1007/s10853-017-1144-0

Li, Weiwei, He, Qian

, Wang, Le, Zeng, Huizhong, Bowlan, John, Ling, Langsheng, Yarotski, Dmitry A., Zhang, Wenrui, Zhao, Run, Dai, Jiahong, Gu, Junxing, Shen, Shipeng, Guo, Haizhong, Pi, Li, Wang, Haiyan, Wang, Yongqiang, Velasco-Davalos, Ivan A., Wu, Yangjiang, Hu, Zhijun, Chen, Bin, Li, Run-Wei, Sun, Young, Jin, Kuijuan, Zhang, Yuheng, Chen, Hou-Tong, Ju, Sheng, Ruediger, Andreas, Shi, Daning, Borisevich, Albina Y. and Yang, Hao 2017. Manipulating multiple order parameters via oxygen vacancies: The case of Eu0.5Ba0.5TiO3−δ. Physical Review B 96 (11) , 115105. 10.1103/PhysRevB.96.115105

Li, Yan, Chan, Yuk-Chi, Leong, Bi-Xiang, Li, Yongxin, Richards, Emma

, Purushothaman, Indu, De, Susmita, Parameswaran, Pattiyil and So, Cheuk-Wai 2017. Trapping a silicon(I) radical with carbenes: a cationic cAAC-silicon(I) radical and an NHC-parent-silyliumylidene cation. Angewandte Chemie International Edition 56 (26) , pp. 7573-7578. 10.1002/anie.201702760

Liao, Jiahn-Haur, Tsai, Cheng-Han, Patel, Sanjay G., Yang, Jhih-Tian, Tu, I-Fan, Lo Cicero, Matteo, Lipka-Lloyd, Magdalena, Wu, Wan-Ling, Shen, Wen-Jie, Ho, Meng-Ru, Chou, Chi-Chi, Sharma, Garima R., Okanishi, Hiroki, Luk, Louis Y. P.

, Tsai, Yu-Hsuan

and Wu, Shih-Hsiung 2017. Acetylome of acinetobacter baumannii SK17 reveals a highly-conserved modification of histone-like protein HU. Frontiers in Molecular Biosciences 4 , 77. 10.3389/fmolb.2017.00077

Liddle, Emma, Scott, Alan, Han, Li-Chen, Ivison, David, Simpson, Thomas J., Willis, Christine L. and Cox, Russell J. 2017. In vitro kinetic study of the squalestatin tetraketide synthase dehydratase reveals the stereochemical course of a fungal highly reducing polyketide synthase. Chemical Communications 53 (10) , pp. 1727-1730. 10.1039/C6CC10172K

Lied, Fabian, Patra, Tuhin and Glorius, Frank 2017. Group 9 Transition metal‐catalyzed C−H halogenations. Israel Journal of Chemistry 57 (10-11) , pp. 945-952. 10.1002/ijch.201700053

Liu, Xi, Conte, Marco, He, Qian

, Knight, David W., Murphy, Damien M.

, Whiston, Keith, Kiely, Christopher J.

2017. Catalytic partial oxidation of cyclohexane by bimetallic Ag/Pd nanoparticles on magnesium oxide. Chemistry - A European Journal 23 (49) 10.1002/chem.201605941

Liu, Kaituo, Pritchard, James, Lu, Li, van Putten, Robbert, Verhoeven, M. W. G. M., Schmitkamp, Mike, Huang, Xiaoming, Lefort, Laurent, Kiely, Christopher J.

, Hensen, Emiel J. M. and Pidko, Evgeny A. 2017. Supported nickel-rhenium catalysts for selective hydrogenation of methyl esters to alcohols. Chemical Communications 53 (70) , pp. 9761-9764. 10.1039/C7CC04759B

Liu, Shenghua, Zhang, Chunfeng, Zhu, Mengya, He, Qian

, Chakhalian, Jak, Liu, Xiaoran, Borisevich, Albina, Wang, Xiaoyong and Xiao, Min 2017. Polar phase transitions in heteroepitaxial stabilized La0.5Y0.5AlO3 thin films. Journal of Physics: Condensed Matter 29 (40) , 405401. 10.1088/1361-648X/aa81ea

Logsdail, Andrew J.

, Downing, Christopher A., Catlow, C. Richard A.

and Sokol, Alexey A. 2017. Magnetic coupling constants for MnO as calculated using hybrid density functional theory. Chemical Physics Letters 690 , pp. 47-53. 10.1016/j.cplett.2017.10.027

Loizzi, Marianna 2017. Investigation of the function of delta-cadinene synthase with aza-analogues and site directedmutagenesis. PhD Thesis, Cardiff University.

Item availability restricted.

Lord, Alex M., Ramasse, Quentin M., Kepaptsoglou, Despoina M., Evans, Jonathan E., Davies, Philip R.

, Ward, Michael B. and Wilks, Steve P. 2017. Modifying the interface edge to control the electrical transport properties of nanocontacts to nanowires. Nano Letters 17 (2) , pp. 687-694. 10.1021/acs.nanolett.6b03699

Lorenzo Garcia, Maria Mercedes and Bonifazi, Davide

2017. Renaissance of an old topic: from borazines to BN-doped nanographenes. Chimia 71 (9) , pp. 550-557. 10.2533/chimia.2017.550

Loveridge, Edric Joel, Hroch, Lukas, Hughes, Robert L., Williams, Thomas, Davies, Rhidian L., Angelastro, Antonio

, Luk, Louis Yu Pan

, Maglia, Giovanni and Allemann, Rudolf Konrad

2017. Reduction of folate by dihydrofolate reductase from thermotoga maritima. Biochemistry 56 (13) , pp. 1879-1886. 10.1021/acs.biochem.6b01268

Loveridge, Edric Joel, Jones, Cerith

, Bull, Matthew J., Moody, Suzy C., Kahl, Malgorzata W, Khan, Zainab, Neilson, Louis, Tomeva, Marina, Adams, Sarah Elizabeth, Wood, Andrew C., Daniel, Rodriguez-Martin, Pinel, Ingrid, Julian, Parkhill, Mahenthiralingam, Eshwar

and Crosby, John 2017. Reclassification of the specialized metabolite producer pseudomonas mesoacidophila ATCC 31433 as a member of the burkholderia cepacia complex. Journal of Bacteriology 199 (13) , e00125-17. 10.1128/JB.00125-17

Lozano, Héctor J., Busto, Natalia, Espino, Gustavo, Carbayo, Arancha, Leal, José M., Platts, James

and García, Begoña 2017. Interstrand DNA covalent binding of two dinuclear Ru(ii) complexes. Influence of the extra ring of the bridging ligand on the DNA interaction and cytotoxic activity. Dalton Transactions 11 , pp. 3611-3622. 10.1039/C6DT04888A

Lu, Zhenzhong, Godfrey, Harry G. W., da Silva, Ivan, Cheng, Yongqiang, Savage, Mathew, Tuna, Floriana, McInnes, Eric J. L., Teat, Simon J., Gagnon, Kevin J., Frogley, Mark D., Manuel, Pascal, Rudic, Svemir, Ramirez-Cuesta, Anibal J., Easun, Timothy L.

, Yang, Sihai and Schröder, Martin 2017. Modulating supramolecular binding of carbon dioxide in a redox-active porous metal-organic framework. Nature Communications 8 , 14212. 10.1038/ncomms14212

Lupan, O., Postica, V, Gröttrup, J, Mishra, A K, de Leeuw, Nora H

, Carreira, J F C, Rodrigues, J, Sedrine, N Ben, Correia, Maria R, Monteiro, Teresa, Cretu, V, Tiginyanu, I, Smazna, Daria, Mishra, Y K and Adelung, R 2017. Hybridization of zinc oxide tetrapods for selective gas sensing applications. ACS Applied Materials & Interfaces 9 (4) , pp. 4084-4099. 10.1021/acsami.6b11337

Lupan, Oleg, Postica, Vasile, Gröttrup, Jorit, Mishra, Abhishek K., De Leeuw, Nora

and Adelung, Rainer 2017. Enhanced UV and ethanol vapour sensing of a single 3-D ZnO tetrapod alloyed with Fe2O3 nanoparticles. Sensors and Actuators B: Chemical 245 , pp. 448-461. 10.1016/j.snb.2017.01.107

Maldini, Mariateresa, Foddai, Marzia, Natella, Fausta, Petretto, Giacomo L., Rourke, Jonathan P.

, Chessa, Mario and Pintore, Giorgio 2017. Identification and quantification of glucosinolates in different tissues of Raphanus raphanistrum by liquid chromatography tandem-mass spectrometry. Journal of Food Composition and Analysis 61 , pp. 20-27. 10.1016/j.jfca.2016.06.002

Malhotra, Shashwat, Singh, Seema, Rana, Neha, Tomar, Shilpi, Bhatnagar, Priyanka, Gupta, Mohit, Singh, Suraj K., Singh, Brajendra K., Chhillar, Anil K., Prasad, Ashok K., Len, Christophe, Kumar, Pradeep, Gupta, Kailash C., Varma, Anjani J., Kuhad, Ramesh C., Sharma, Gainda L., Parmar, Virinder S. and Richards, Nigel

2017. Chemoenzymatic synthesis, nanotization and anti- aspergillus activity of optically enriched fluconazole analogues. Antimicrobial Agents and Chemotherapy 61 (8) , e00273-17. 10.1128/AAC.00273-17

Malmedy, Florence and Wirth, Thomas

2017. Cyclization of malonate derivatives with iodine(III) reagents. European Journal of Organic Chemistry 10.1002/ejoc.201601587

Maloney, Vincent, Szczepanski, Zach and Smith, Keith 2017. Introduction of a simple experiment for the undergraduate organic chemistry laboratory demonstrating the Lewis acid and shape-selective properties of zeolite Na-Y. Journal of Chemical Education 94 (9) , pp. 1343-1346. 10.1021/acs.jchemed.6b00662

Malta, Grazia, Freakley, Simon, Kondrat, Simon and Hutchings, Graham John

2017. Acetylene hydrochlorination using Au / Carbon: a journey towards single site catalysis. Chemical Communications 10.1039/C7CC05986H

Malta, Grazia, Kondrat, Simon A., Freakley, Simon J., Davies, Catherine J., Lu, Li, Dawson, Simon, Thetford, Adam, Gibson, Emma K., Morgan, David J., Jones, Wilm, Wells, Peter P., Johnston, Peter, Catlow, C. Richard A.

, Kiely, Christopher J.

2017. Identification of single-site gold catalysis in acetylene hydrochlorination. Science 355 (6332) , pp. 1399-1403. 10.1126/science.aal3439

Mancardi, Giulia, Hernandez Tamargo, Carlos Ernesto, Di Tommaso, Devis and De Leeuw, Nora H.

2017. Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study. Journal of Materials Chemistry B 10.1039/C7TB01199G

Margulies, Eric A., Kerisit, Nicolas, Gawel, Przemyslaw, Mauck, Catherine M., Ma, Lin, Miller, Claire E., Young, Ryan M., Trapp, Nils, Wu, Yi-Lin

, Diederich, François and Wasielewski, Michael R. 2017. Substituent effects on singlet exciton fission in polycrystalline thin films of cyano-substituted diaryltetracenes. Journal of Physical Chemistry C 121 (39) , pp. 21262-21271. 10.1021/acs.jpcc.7b07870

Marinelli, Davide, Fasano, Francesco, Najjari, Btissam, Demitri, Nicola and Bonifazi, Davide

2017. Borazino-doped polyphenylenes. Journal of the American Chemical Society 139 (15) , pp. 5503-5519. 10.1021/jacs.7b01477

Marinelli, Davide 2017. Synthesis and characterization of borazine-doped polyphenylenes: towards the construction of boron-nitrogencarbon hybrid polycyclic aromatic hydrocarbons. PhD Thesis, Cardiff University.

Item availability restricted.

Martin, Adam D., Easun, Timothy

, Argent, Stephen P., Lewis, William, Blake, Alexander J. and Schröder, Martin 2017. The effect of carboxylate position on the structure of a metal organic framework derived from cyclotriveratrylene. Crystengcomm 19 (4) , pp. 603-607. 10.1039/C6CE01965J

Martin, David James, Decarolis, Donato, Tucoulou, Remi, Martínez-Criado, Gema and Beale, Andrew 2017. Towards the interrogation of the behaviour of a single nanoparticle under realistic catalytic reaction conditions. Catalysis, Structure & Reactivity 3 (1-2) , pp. 63-70. 10.1080/2055074X.2016.1277655

Maruyoshi, Keisuke, Iuga, Dinu, Watts, Abigail E., Hughes, Colan E., Harris, Kenneth D.M.

and Brown, Steven P. 2017. Assessing the detection limit of a minority solid-state Form of a pharmaceutical by 1 H double-quantum magic-angle spinning nuclear magnetic resonance spectroscopy. Journal of Pharmaceutical Sciences 106 (11) , pp. 3372-3377. 10.1016/j.xphs.2017.07.014

Mauck, Catherine M., Hartnett, Patrick E., Wu, Yi-Lin

, Miller, Claire E., Marks, Tobin J. and Wasielewski, Michael R. 2017. Singlet fission within diketopyrrolopyrrole nanoparticles in water. Chemistry of Materials 29 (16) , pp. 6810-6817. 10.1021/acs.chemmater.7b01845

Mauguière, Frédéric A.L., Collins, Peter, Kramer, Zeb C., Carpenter, Barry

, Ezra, Gregory S., Farantos, Stavros C. and Wiggins, Stephen 2017. Roaming: a phase space perspective. Annual Review of Physical Chemistry 68 (1) , pp. 499-524. 10.1146/annurev-physchem-052516-050613

Mayabadi, Azam, Mirabbaszadeh, Kavoos, Pawbake, Amit, Rondiya, Sachin, Rokade, Avinash, Waykar, Ravindra, Kulkarni, Rupali, Pathan, Habib and Jadkar, Sandesh 2017. Electrochemical deposition of p-CdTe nanoparticle thin films for solar cell applications. Journal of Materials Science: Materials in Electronics 28 (24) , pp. 18745-18754. 10.1007/s10854-017-7823-4

Mayabadi, Azam, Pawbake, Amit, Rondiya, Sachin, Rokade, Avinash, Waykar, Ravindra, Jadhavar, Ashok, Date, Abhijit, Sharma, Vidhika, Prasad, Mohit, Pathan, Habib and Jadkar, Sandesh 2017. Synthesis, characterization, and photovoltaic properties of TiO2/CdTe core-shell heterostructure for semiconductor-sensitized solar cells (SSSCs). Journal of Solid State Electrochemistry 21 (9) , pp. 2665-2676. 10.1007/s10008-016-3473-3

Mazza, Mercedes M. A., Yamazaki, Shiori, Mai, Dieu X., Padgaonkar, Suyog, Peurifoy, Samuel, Goncalves, Ariane, Wu, Yi-Lin

, Hu, Qiaoyu and Scott, Amy M. 2017. Photoinduced charge recombination in dipolar D-A-A photonic liquid crystal polymorphs. Physical Chemistry Chemical Physics 19 (6) , pp. 4588-4596. 10.1039/C6CP08631D

McGillen, Max R., Curchod, Basile F.E., Chhantyal-Pun, Rabi, Beames, Joseph

, Watson, Nathan, Khan, M. Anwar H., McMahon, Laura, Shallcross, Dudley E. and Orr-Ewing, Andrew J. 2017. Criegee intermediate-alcohol reactions, a potential source of functionalized hydroperoxides in the atmosphere. ACS Earth and Space Chemistry 1 (10) , pp. 664-672. 10.1021/acsearthspacechem.7b00108

Medrano, M. Angeles, Morais, Mauricio D.S., Ferreira, Vera, Correia, João D. G., Paulo, Antonio Rocha, Do Santos, Isabel, Navarro-Ranninger, Carmen, Alvarez-Valdes, Amparo, Casini, Angela

, Mendes, Filipa and Gomez Quiroga, Adoracion 2017. Non-conventional trans-platinum complexes functionalized with RDG peptides: chemical and cytototoxicity studies. European Journal of Inorganic Chemistry 12 , pp. 1835-1840. 10.1002/ejic.201700072

Melen, Rebecca

, Soltani, Yashar and Wilkins, Lewis 2017. A comparative assessment of modern cyclization methods of substituted alkynyl esters, ethers, and acids. Synlett 29 (01) , 01-07. 10.1055/s-0036-1591862

Meredith, Owain 2017. Passive catalytic soot oxidation. PhD Thesis, Cardiff University.

Item availability restricted.

Midega, Charles A.O., Wasonga, Charles J., Hooper, Antony M., Pickett, John

and Khan, Zeyaur R. 2017. Drought-tolerant Desmodium species effectively suppress parasitic striga weed and improve cereal grain yields in western Kenya. Crop Protection 98 , pp. 94-101. 10.1016/j.cropro.2017.03.018

Miletic, Tanja, Fermi, Andrea, Orfanos, Ioannis, Avramopoulos, Aggelos, De Leo, Federica, Demitri, Nicola, Bergamini, Giacomo, Ceroni, Paola, Papadopoulos, Manthos G., Couris, Stelios and Bonifazi, Davide

2017. Tailoring colors by O-annulation of polycyclic aromatic hydrocarbons. Chemistry - a European Journal 23 (10) , pp. 2363-2378. 10.1002/chem.201604866

Miletiić, Tanja, Fermi, Andrea, Papadakis, Ioannis, Orfanos, Ioannis, Karampitsos, Nikolaos, Avramopoulos, Aggelos, Demitri, Nicola, De Leo, Federica, Pope, Simon J. A.

, Papadopoulos, Manthos G., Couris, Stelios and Bonifazi, Davide

2017. A twisted bay-substituted quaterrylene phosphorescing in the NIR spectral region. Helvetica Chimica Acta 100 (11) , e1700192. 10.1002/hlca.201700192

Modak, Atanu, Patra, Tuhin, Chowdhury, Rajdip, Raul, Suman and Maiti, Debabrata 2017. Palladium-catalyzed remote meta-selective C–H bond silylation and germanylation. Organometallics 36 (13) , pp. 2418-2423. 10.1021/acs.organomet.7b00309

Molt, Robert, Georgiadis, Millie M. and Richards, Nigel G. J.

2017. Consecutive non-natural PZ nucleobase pairs in DNA impact helical structure as seen in 50 μs molecular dynamics simulations. Nucleic Acids Research 45 (7) , pp. 3643-3653. 10.1093/nar/gkx144

Moon, E. J., He, Qian

, Ghosh, S., Kirby, B. J., Pantelides, S. T., Borisevich, A. Y. and May, S. J. 2017. Structural “δ doping” to control local magnetization in isovalent oxide heterostructures. Physical Review Letters 119 (19) , 197204. 10.1103/PhysRevLett.119.197204

Moonen, Roel, Alles, Jeroen, Ras, Erik-jan, Harvey, Clare and Moulijn, Jacob A. 2017. Performance testing of hydrodesulfurization catalysts using a single-pellet-string reactor. Chemical Engineering & Technology 40 (11) , pp. 2025-2034. 10.1002/ceat.201700098

Mora-Fonz, David, Lazauskas, Tomas, Farrow, Matthew R., Catlow, C. Richard A.

, Woodley, Scott M. and Sokol, Alexey A. 2017. Why are Polar surfaces of ZnO stable? Chemistry of Materials 29 (12) , pp. 5306-5320. 10.1021/acs.chemmater.7b01487

Mora-Fonz, David, Lazauskas, Tomas, Woodley, Scott M., Bromley, Stefan T., Catlow, Charles Richard A.

and Sokol, Alexey A. 2017. Development of interatomic potentials for supported nanoparticles: the Cu/ZnO case. Journal of Physical Chemistry C 121 (31) , pp. 16831-16844. 10.1021/acs.jpcc.7b04502

Morad, Moataz, Nowicka, Ewa

, Douthwaite, John, Iqbal, Sarwat, Miedziak, Peter, Edwards, Jennifer

, Brett, Gemma, He, Qian

, Knight, David, Morgan, David

, Alshammari, Hammed, Bethell, Donald, Sankar, Meenakshisundaram

2017. Multifunctional supported bimetallic catalysts for a cascade reaction with hydrogen auto transfer: synthesis of 4-phenylbutan-2-ones from 4-methoxybenzyl alcohols. Catalysis Science & Technology 7 (9) , pp. 1928-1936. 10.1039/C7CY00184C

Moreau, Florian, Kolokolov, Daniil I., Stepanov, Alexander G., Easun, Timothy L.

, Dailly, Anne, Lewis, William, Blake, Alexander J., Nowell, Harriott, Lennox, Matthew J., Besley, Elena, Yang, Sihai and Schröder, Martin 2017. Tailoring porosity and rotational dynamics in a series of octacarboxylate metal-organic frameworks. Proceedings of the National Academy of Sciences 114 (12) , pp. 3056-3061. 10.1073/pnas.1615172114

Moreau, Florian, da Silva, Ivan, Al Smail, Nada H., Easun, Timothy L.

, Savage, Mathew, Godfrey, Harry G. W., Parker, Stewart F., Manuel, Pascal, Yang, Sihai and Schröder, Martin 2017. Unravelling exceptional acetylene and carbon dioxide adsorption within a tetra-amide functionalized metal-organic framework. Nature Communications 8 , 14085. 10.1038/ncomms14085

Morgan, David

2017. Cluster cleaned HOPG by XPS. Surface Science Spectra 24 (2) , 024003. 10.1116/1.4993771

Morgan, David

2017. Metallic antimony (Sb) by XPS. Surface Science Spectra 24 (2) , 024004. 10.1116/1.4994636

Morris, Ceri A., El-Hiti, Gamal A., Weeks, Ian

, Woodhead, Stuart, Smith, Keith and Kille, Peter

2017. Quantitative analysis of gene expression changes in response to genotoxic compounds. Toxicology in Vitro 39 , pp. 15-28. 10.1016/j.tiv.2016.11.004

Mosca, Dario, Stopin, Antoine, Demitri, Nicola, Wouters, Johan and Bonifazi, Davide

2017. Stereospecific winding of polycyclic aromatic hydrocarbons into Trinacria propellers. Chemistry: A European Journal 23 (61) , pp. 15348-15354. 10.1002/chem.201702032

Mutter, Shaun, Deeth, Robert J., Turner, Matthew and Platts, James Alexis

2017. Benchmarking of copper(II) LFMM parameters for studying amyloid-β peptides. Journal of Biomolecular Structure and Dynamics 36 (5) , pp. 1145-1153. 10.1080/07391102.2017.1313780

Myshlyavtsev, Alexander V., Stishenko, Pavel V. and Svalova, Anna I. 2017. A systematic computational study of the structure crossover and coordination number distribution of metallic nanoparticles. Physical Chemistry Chemical Physics 19 (27) , pp. 17895-17903. 10.1039/C6CP07571A

Nash, Anthony, Birch, Helen L. and de Leeuw, Nora

2017. Mapping intermolecular interactions and active site conformations: from human MMP-1 crystal structure to molecular dynamics free energy calculations. Journal of Biomolecular Structure and Dynamics 35 (3) , pp. 564-573. 10.1080/07391102.2016.1153521

Newland, R. J., Wyatt, M. F., Wingad, R. L. and Mansell, S. M. 2017. A ruthenium(ii) bis(phosphinophosphinine) complex as a precatalyst for transfer-hydrogenation and hydrogen-borrowing reactions. Dalton Transactions 46 (19) , pp. 6172-6176. 10.1039/C7DT01022B

Niemantsverdriet, Hans, van Helden, Pieter, Hensen, Emiel, Lennon, David, Holt, Katherine, Hutchings, Graham

, Catlow, Richard, Shozi, Mzamo, Jewell, Linda, Claeys, Michael, Hayward, James, Coville, Neil, Fischer, Nico, Roldan Martinez, Alberto

, Redekop, Evjeniy, Gambu, Thobani, Deeplal, Letisha, Mkhwanazi, Thabiso Perfect Oscar, Weststrate, Kees-Jan, Bahnemann, Detlef, Neurock, Matthew, Schulz, Hans, Ma, Ding, Kondrat, Simon, Collier, Paul, Gupta, Abhishek Kumar, Corma, Avelino, Akomeah, Paul, Iglesia, Enrique, van Steen, Eric, De Leeuw, Nora

, Wolf, Moritz and van Heerden, Tracey 2017. Catalysis for fuels: general discussion. Faraday Discussions 197 , pp. 165-205. 10.1039/C7FD90010D

Niemeier, Johannes, Engel, Rebecca and Rose, Marcus 2017. Is water a suitable solvent for the catalytic amination of alcohols? Green Chemistry 19 (12) , pp. 2839-2845. 10.1039/C7GC00422B

Nieva De La Hidalga, Abraham

, Magagna, Barbara, Stocker, Markus, Hardisty, Alex

, Martin, Paul, Zhao, Zhiming, Atkinson, Malcolm and Jeffery, Keith 2017. The ENVRI Reference Model (ENVRI RM) version 2.2, 30th October 2017. [Documentation]. Zenodo. Available at: https://doi.org/10.5281/zenodo.1050349

O'Malley, Alexander J. and Catlow, C. Richard A.

2017. Sorbate dynamics in zeolite catalysts. Fernandez-Alonso, F. and Price, D.L., eds. Neutron Scattering - Applications in Biology, Chemistry, and Materials Science, Vol. 49. Experimental Methods in the Physical Sciences, Elsevier, pp. 349-401. (10.1016/B978-0-12-805324-9.00006-6)

O'Malley, Alexander, Parker, Stewart F. and Catlow, C. Richard A.

2017. Neutron spectroscopy as a tool in catalytic science. Chemical Communications 53 (90) , pp. 12164-12176. 10.1039/C7CC05982E

O'Shea, B, Wadsworth, S, Pino Marambio, J, Birkett, M A, Pickett, John

and Mordue Luntz, A J 2017. Disruption of host-seeking behaviour by the salmon louse,Lepeophtheirus salmonis,using botanically derived repellents. Journal of Fish Diseases 40 (4) , pp. 495-505. 10.1111/jfd.12526

Ogah, Emmanuel O., Smart, Lesley E., Woodcock, Christine M., Caulfield, John C., Birkett, Michael A., Pickett, John

, Nwilene, Francis E. and Bruce, Toby J. 2017. Electrophysiological and behavioral responses of female African rice gall midge, Orseolia oryzivora Harris and Gagné, to host plant volatiles. Journal of Chemical Ecology 43 (1) , pp. 13-16. 10.1007/s10886-016-0788-6

Olsson, Emilia, Aparicio-Anglès, Xavier and De Leeuw, Nora

2017. A computational study of the electronic properties, ionic conduction, and thermal expansion of Sm1−xAxCoO3 and Sm1−xAxCoO3−x/2 (A = Ba2+, Ca2+, Sr2+, and x = 0.25, 0.5) as intermediate temperature SOFC cathodes. Physical Chemistry Chemical Physics 19 (21) , pp. 13960-13969. 10.1039/C7CP01555K

Omer, Elasyed A., Hendawy, Saber F., Ismail, Rasha F., Petretto, Giacomo L., Rourke, Jonathan P.

and Pintore, Giorgio 2017. Acclimatization study of Tagetes lucida L. in Egypt and the chemical characterization of its essential oils. Natural Product Research 31 (13) , pp. 1509-1517. 10.1080/14786419.2017.1278594

Omorodion, Harrison, Palenzuela, Miguel, Ruether, Manuel, Twamley, Brendan, Platts, James

and Baker, Robert J. 2017. A rationally designed perfluorinated host for the extraction of PFOA from water utilising non-covalent interactions. New Journal of Chemistry 42 , pp. 7956-7968. 10.1039/C7NJ03026F

Onoabedje, Efeturi A., Okoro, Uchechukwu C. and Knight, David William 2017. Rapid access to new angular phenothiazine and henoxazine dyes. Journal of Heterocyclic chemistry 54 (1) , pp. 206-214. 10.1002/jhet.2569

Ou, Xiaoxia, Xu, Shaojun, Warnett, Jason M., Holmes, Stuart M., Zaheer, Amber, Garforth, Arthur A., Williams, Mark A., Jiao, Yilai and Fan, Xiaolei 2017. Creating hierarchies promptly: microwave-accelerated synthesis of ZSM-5 zeolites on macrocellular silicon carbide (SiC) foams. Chemical Engineering Journal 312 , pp. 1-9. 10.1016/j.cej.2016.11.116

Ould, Darren M. C., Rigby, Alex C., Wilkins, Lewis C., Adams, Samuel J., Platts, James A.

2017. Investigations into the photophysical and electronic properties of pnictoles and Their pnictenium counterparts. Organometallics 37 (5) , pp. 712-719. 10.1021/acs.organomet.7b00564

Padovan, D., Al-Nayili, A. and Hammond, C.

2017. Bifunctional Lewis and Brønsted acidic zeolites permit the continuous production of bio-renewable furanic ethers. Green Chemistry 19 (12) , pp. 2846-2854. 10.1039/C7GC00160F

Padovan, Daniele, Tolborg, Søren, Botti, Luca, Taarning, Esben, Sádaba, Irantzu and Hammond, Ceri

2017. Overcoming catalyst deactivation during the continuous conversion of sugars to chemicals: maximising the performance of Sn-Beta with a little drop of water. Reaction Chemistry and Engineering 3 (2) , pp. 155-163. 10.1039/C7RE00180K

Palma, L., Scott, D. J., Harris, G., Din, Salah-Ud, Williams, Thomas, Roberts, Oliver, Young, Mark

, Caballero, P. and Berry, Colin

2017. The Vip3Ag4 insecticidal protoxin from Bacillus thuringiensis adopts a tetrameric configuration that is maintained on proteolysis. Toxins 9 (5) , p. 165. 10.3390/toxins9050165

Pan, Hua, Jian, Yanfei, Chen, Changwei, He, Chi, Hao, Zhengping, Shen, Zhenxing and Liu, Hongxia 2017. Sphere-shaped Mn3O4 catalyst with remarkable low-temperature activity for Methyl-Ethyl-Ketone combustion. Environmental Science & Technology 51 (11) , pp. 6288-6297. 10.1021/acs.est.7b00136

Patel, Shanaya, Shaikh, Faraz, Devaraji, Vinod, Radadiya, Ashish

, Shah, Kanisha, Shah, Anamik and Rawal, Rakesh 2017. Insights into the structural perturbations of spliced variants of CD44: a modeling and simulation approach. Journal of Biomolecular Structure and Dynamics 35 (2) , pp. 354-367. 10.1080/07391102.2016.1142476

Patra, Tuhin and Maiti, Debabrata 2017. Decarboxylation as the key step in C−C bond‐forming reactions. Chemistry - A European Journal 23 (31) , pp. 7382-7401. 10.1002/chem.201604496

Patzsch, Julia, Folli, Andrea

, Macphee, Donald E. and Bloh, Jonathan Z. 2017. On the underlying mechanisms of the low observed nitrate selectivity in photocatalytic NOx abatement and the importance of the oxygen reduction reaction. Physical Chemistry Chemical Physics 19 , 32678. 10.1039/C7CP05960D

Paul, Alison

, Clark, J. N., Salama, I. E., Jenkins, B. J., Goodwin, N., Wilkes, A. R., Mahoney, P. F. and Hall, Judith Elizabeth

2017. Laboratory evaluation of a novel anaesthesia delivery device. Anaesthesia 72 (1) , pp. 63-72. 10.1111/anae.13625

Pawar, S., Slater, T.J.A.

, Burnett, T.L., Zhou, X., Scamans, G.M., Fan, Z., Thompson, G.E. and Withers, P.J. 2017. Crystallographic effects on the corrosion of twin roll cast AZ31 Mg alloy sheet. Acta Materialia 133 , pp. 90-99. 10.1016/j.actamat.2017.05.027

Pegg, James T., Aparicio-Anglès, Xavier, Storr, Mark and De Leeuw, Nora

2017. DFT+U study of the structures and properties of the actinide dioxides. Journal of Nuclear Materials 492 , pp. 269-278. 10.1016/j.jnucmat.2017.05.025

Pellow, Katy J., Wingad, Richard L. and Wass, Duncan F.

2017. Towards the upgrading of fermentation broths to advanced biofuels: a water tolerant catalyst for the conversion of ethanol to isobutanol. Catalysis Science & Technology 7 (21) , pp. 5128-5134. 10.1039/C7CY01553D

Peneau, Virginie, Armstrong, Robert, Shaw, Greg, Xu, Jun, Jenkins, Robert, Morgan, David John

, Dimitratos, Nikolaos

, Zanthoff, Horst, Pietz, Stefan, Stochniol, Guido, He, Qian

, Kiely, Christopher

2017. The low temperature oxidation of propane using H2O2 and Fe/ZSM-5 catalysts; insights into the active site and enhancement of catalytic turnover frequencies. ChemCatChem 9 (4) , pp. 642-650. 10.1002/cctc.201601241

Pereira, Jorge F., Sarria, André L. F., Powers, Stephen J., Aradottir, Gudbjorg I., Caulfield, John C., Martin, Janet, Smart, Lesley E., Pickett, John

, Birkett, Michael A. and Pereira, Paulo R. V. S. 2017. DIMBOA levels in hexaploid Brazilian wheat are not associated with antibiosis against the cereal aphids Rhopalosiphum padi and Sitobion avenae. Theoretical and Experimental Plant Physiology 29 (2) , pp. 61-75. 10.1007/s40626-017-0084-z

Petretto, Giacomo L., Urgeghe, P. Paolo, Mascia, Ilaria, Fadda, Costantino, Rourke, Jonathan P.

and Pintore, Giorgio 2017. Stir bar sorptive extraction coupled with GC/MS applied to honey: optimization of method and comparative study with headspace extraction techniques. European Food Research and Technology 243 (5) , pp. 735-741. 10.1007/s00217-016-2787-9

Petretto, Giacomo Luigi, Tuberoso, Carlo Ignazio Giovanni, Fenu, Maurizio Antonio, Rourke, Jonathan P.

, Belhaj, Omar and Pintore, Giorgio 2017. Antioxidant activity, color chromaticity coordinates, and chemical characterization of monofloral honeys from Morocco. International Journal of Food Properties 20 (9) , pp. 2016-2027. 10.1080/10942912.2016.1230745

Pflueger, Jason J., Morrill, Louis C.

, deGruyter, Justine N., Perea, Melecio A. and Sarpong, Richmond 2017. Magnesiate addition/ring-expansion strategy to access the 6-7-6 tricyclic core of hetisine-type C20-diterpenoid alkaloids. Organic Letters 19 (17) , pp. 4632-4635. 10.1021/acs.orglett.7b02260

Phaahlamohlaka, Tumelo N., Kumi, David O., Dlamini, Mbongiseni W., Forbes, Roy, Jewell, Linda L., Billing, David G. and Coville, Neil J. 2017. Effects of Co and Ru Intimacy in Fischer-Tropsch catalysts using hollow carbon sphere supports: assessment of the hydrogen spillover processes. ACS Catalysis 7 (3) , pp. 1568-1578. 10.1021/acscatal.6b03102

Pichaandi, Kothanda Rama, Kabalan, Lara, Amini, Hashem, Zhang, Guanghui, Zhu, Hanyu, Kenttämaa, Hilkka I., Fanwick, Phillip E., Miller, Jeffrey T., Kais, Sabre, Nabavizadeh, S. Masoud, Rashdi, Mehdi and Abu-Omar, Mahdi M. 2017. Mechanism of Me–Re bond addition to Platinum(II) and dioxygen activation by the resulting Pt–Re bimetallic center. Inorganic Chemistry 56 (4) , pp. 2145-2152. 10.1021/acs.inorgchem.6b02801

Pichaandi, Kothanda Rama, Kabalan, Lara, Kais, Sabre and Abu-Omar, Mahdi M. 2017. Ring flipping in heterobimetallic Re-Ir complexes and its effect on structural isomerism: Dynamic NMR and DFT study. Journal of Organometallic Chemistry 843 , pp. 62-65. 10.1016/j.jorganchem.2017.05.030

Pizzutilo, Enrico, Geiger, Simon, Freakley, Simon J., Mingers, Andrea, Cherevko, Serhiy, Hutchings, Graham John

and Mayrhofer, Karl J.J. 2017. Palladium electrodissolution from model surfaces and nanoparticles. Electrochimica Acta 229 , pp. 467-477. 10.1016/j.electacta.2017.01.127

Pizzutilo, Enrico, Freakley, Simon J., Cherevko, Serhiy, Venkatesan, Sriram, Hutchings, Graham John

, Liebscher, Christian H., Dehm, Gerhard and Mayrhofer, Karl J. J. 2017. Gold-palladium bimetallic catalyst stability: consequences for hydrogen peroxide selectivity. ACS Catalysis 7 , pp. 5699-5705. 10.1021/acscatal.7b01447

Pizzutilo, Enrico, Freakley, Simon J., Geiger, Simon, Baldizzone, Claudio, Mingers, Andrea, Hutchings, Graham John

, Mayrhofer, Karl J. J. and Cherevko, Serhiy 2017. Addressing stability challenges of using bimetallic electrocatalysts: the case of gold?palladium nanoalloys. Catalysis Science & Technology 7 (9) , pp. 1848-1856. 10.1039/C7CY00291B

Pizzutilo, Enrico, Kasian, Olga, Choi, Chang Hyuck, Cherevko, Serhiy, Hutchings, Graham

, Mayrhofer, Karl J.J. and Freakley, Simon 2017. Electrocatalytic synthesis of hydrogen peroxide on Au-Pd nanoparticles: from fundamentals to continuous production. Chemical Physics Letters 683 , pp. 436-442. 10.1016/j.cplett.2017.01.071

Polidano, Kurt, Reed-Berendt, Benjamin, Basset, Anais, Watson, Andrew, Williams, Jonathan M. J. and Morrill, Louis

2017. Exploring tandem ruthenium-catalyzed hydrogen transfer and SNAr chemistry. Organic Letters 19 (24) , pp. 6716-6719. 10.1021/acs.orglett.7b03441

Polyak, Iakov

, Bearpark, Michael J. and Robb, Michael A. 2017. Application of the unitary group approach to evaluate spin density for configuration interaction calculations in a basis of S2 eigenfunctions 2 eigenfunctions. International Journal of Quantum Chemistry 2017 , e25559. 10.1002/qua.25559

Pope, Simon J. A.

, Langdon-Jones, Emily, Jones, Ariana, Williams, Catrin Ffion

, Hayes, Anthony Joseph, Lloyd, David

and Mottram, Huw James 2017. Anticancer, azonafide-inspired fluorescent ligands and their rhenium(I) complexes for cellular imaging. European Journal of Inorganic Chemistry 2017 (3) , pp. 759-766. 10.1002/ejic.201601271
Item availability restricted.

Postica, Vasile, Gröttrup, Jorit, Adelung, Rainer, Lupan, Oleg, Mishra, Abhishek Kumar, De Leeuw, Nora

, Ababii, Nicolai, Carreira, José F. C., Rodrigues, Joana, Sedrine, Nebiha Ben, Correia, Maria Rosário, Monteiro, Teresa, Sontea, Victor and Mishra, Yogendra Kumar 2017. Multifunctional materials: A case study of the effects of metal doping on ZnO Tetrapods with bismuth and tin oxides. Advanced Functional Materials 27 (6) , 1604676. 10.1002/adfm.201604676

Potter, Matthew E., Chapman, Stephanie, O'Malley, Alexander, Levy, Alan, Carravetta, Marina, Mezza, Thomas M., Parker, Stewart F. and Raja, Robert 2017. Understanding the role of designed solid acid sites in the low-temperature production of ϵ-Caprolactam. ChemCatChem 9 (11) , pp. 1897-1900. 10.1002/cctc.201700516

Potter, Matthew E., O'Malley, Alexander J., Chapman, Stephanie, Kezina, Julija, Newland, Stephanie H., Silverwood, Ian P., Mukhopadhyay, Sanghamitra, Carravetta, Marina, Mezza, Thomas M., Parker, Stewart F., Catlow, C. Richard A

and Raja, Robert 2017. Understanding the role of molecular diffusion and catalytic selectivity in liquid-phase Beckmann rearrangement. ACS Catalysis 7 (4) , pp. 2926-2934. 10.1021/acscatal.6b03641

Powell, Alison, Caterson, Bruce

, Hughes, Clare

, Paul, Alison

, James, Craig

, Hopkins, Stephen, Mansour, Omar and Griffiths, Peter 2017. Do model polymer therapeutics sufficiently diffuse through articular cartilage to be a viable therapeutic route? Journal of Drug Targeting 25 (9-10) , pp. 919-926. 10.1080/1061186X.2017.1378660

Prakash, Muthuramalingam, Lemaire, Thibault, Caruel, Matthieu, Lewerenz, Marius, de Leeuw, Nora H.

, Di Tommaso, Devis and Naili, Salah 2017. Anisotropic diffusion of water molecules in hydroxyapatite nanopores. Physics and Chemistry of Minerals 44 (7) , pp. 509-519. 10.1007/s00269-017-0878-1

Prakash, Muthuramalingam, Lemaire, Thibault, Di Tommaso, Devis, De Leeuw, Nora

, Lewerenz, Marius, Caruel, Matthieu and Naili, Salah 2017. Transport properties of water molecules confined between hydroxyapaptite surfaces: A Molecular dynamics simulation approach. Applied Surface Science 418 (A) , pp. 296-301. 10.1016/j.apsusc.2017.02.029

Prasad, Mohit, Sharma, Vidhika, Mayabadi, Azam, Rokade, Avinash, Pawbake, Amit, Rondiya, Sachin, Waykar, Ravindra, Jadhavar, Ashok, Pathan, Habib and Jadkar, Sandesh 2017. Chlorophyll-a/ZnO nanorod based hybrid photoanodes for enhanced photoelectrochemical splitting of water. ChemistrySelect 2 (5) , pp. 1911-1916. 10.1002/slct.201601814

Pritchard, Manon F.

, Powell, Lydia C.

, Khan, Saira, Griffiths, Peter C., Mansour, Omar T., Schweins, Ralf, Beck, Konrad

, Buurma, Niklaas J.

, Dempsey, Christopher E., Wright, Chris J., Rye, Philip D., Hill, Katja E.

, Thomas, David W.

and Ferguson, Elaine L.

2017. The antimicrobial effects of the alginate oligomer OligoG CF-5/20 are independent of direct bacterial cell membrane disruption. Scientific Reports 7 , 44731. 10.1038/srep44731

Pudge, Geoffrey 2017. Iron molybdate synthesis using dicarboxylate decomposition methods for methanol partial oxidation to formaldehyde. PhD Thesis, Cardiff University.

Item availability restricted.

Pullin, H., Crane, Richard, Morgan, David

and Scott, T.B. 2017. The effect of common groundwater anions on the aqueous corrosion of zero-valent iron nanoparticles and associated removal of aqueous copper and zinc. Journal of Environmental Chemical Engineering 5 (1) , pp. 1166-1173. 10.1016/j.jece.2017.01.038

Qurban, Jihan, Elsherbini, Mohamed and Wirth, Thomas

2017. Electron-deficient chiral lactic acid-based hypervalent iodine reagents. Journal of Organic Chemistry 82 (22) , pp. 11872-11876. 10.1021/acs.joc.7b01571

Rabizadeh, Taher, Stawski, Tomasz M., Morgan, David John

, Peacock, Caroline L. and Benning, Liane G. 2017. The effects of inorganic additives on the nucleation and growth kinetics of calcium sulfate dihydrate crystals. Crystal Growth and Design 17 (2) , pp. 582-589. 10.1021/acs.cgd.6b01441

Rapf, Rebecca J., Perkins, Russell J., Yang, Haishen, Miyake, Garret M., Carpenter, Barry K.

and Vaida, Veronica 2017. Photochemical synthesis of oligomeric amphiphiles from alkyl oxoacids in aqueous environments. Journal of the American Chemical Society 139 (20) , pp. 6946-6959. 10.1021/jacs.7b01707

Rapf, Rebecca J., Perkins, Russell J., Carpenter, Barry K.

and Vaida, Veronica 2017. Mechanistic description of photochemical oligomer formation from aqueous pyruvic acid. Journal of Physical Chemistry A 121 (22) , pp. 4272-4282. 10.1021/acs.jpca.7b03310

Reece, Christian 2017. Kinetic analysis and modelling in heterogeneous catalysis. PhD Thesis, Cardiff University.

Item availability restricted.

Reguera, Leslie, López, Noeldris L., Rodríguez-Hernández, Joelis, González, Marlene, Hernandez-Tamargo, Carlos E., Santos Carballal, David

, De Leeuw, Nora

and Reguera, Edilso 2017. Synthesis, crystal structures, and properties of Zeolite-Like T3 (H3 O)2 [M(CN)6 ]2 ·u H2 O (T = Co, Zn; M = Ru, Os). European Journal of Inorganic Chemistry 2017 (23) , pp. 2980-2989. 10.1002/ejic.201700278

Richards, Nigel G. J.

and Georgiadis, Millie M. 2017. Toward an expanded genome: structural and computational characterization of an artificially expanded genetic information system. Accounts of Chemical Research 50 (6) , pp. 1375-1382. 10.1021/acs.accounts.6b00655

Ritterskamp, Nadine, Sharples, Katherine, Richards, Emma

, Chiesa, Mario, Platts, James A.

2017. Understanding the coordination modes of [Cu(acac)2(imidazole)n=1,2] adducts by EPR, ENDOR, HYSCORE, and DFT analysis. Inorganic Chemistry 56 (19) , pp. 11862-11875. 10.1021/acs.inorgchem.7b01874

Rogers, Scott M., Catlow, Charles Richard

, Chan-Thaw, Carine E., Chutia, Arunabhiram, Jian, Nan, Palmer, Richard E., Perdjon, Michal

, Thetford, Adam, Dimitratos, Nikolaos

, Villa, Alberto and Wells, Peter P. 2017. Tandem site and size controlled Pd nanoparticles for the directed hydrogenation of furfural. ACS Catalysis 7 , pp. 2266-2274. 10.1021/acscatal.6b03190

Rokade, Avinash, Rondiya, Sachin, Date, Abhijit, Sharma, Vidhika, Prasad, Mohit, Pathan, Habib and Jadkar, Sandesh 2017. Electrochemical synthesis of core-shell ZnO/CdS nanostructure for photocatalytic water splitting application. Energy Procedia 110 , pp. 121-127. 10.1016/j.egypro.2017.03.116

Rokade, Avinash, Rondiya, Sachin, Sharma, Vidhika, Prasad, Mohit, Pathan, Habib and Jadkar, Sandesh 2017. Electrochemical synthesis of 1D ZnO nanoarchitectures and their role in efficient photoelectrochemical splitting of water. Journal of Solid State Electrochemistry 21 (9) , pp. 2639-2648. 10.1007/s10008-016-3427-9

Roldan Martinez, Alberto

2017. Selective hydrogenation of CO on Fe3S4{111}: a computational study. Faraday Discussions 197 , pp. 325-336. 10.1039/C6FD00224B

Roldan Martinez, Alberto

2017. A kinetic model of water adsorption, clustering and dissociation on the Fe3S4{001} surface. Physical Chemistry Chemical Physics 19 , pp. 12045-12055. 10.1039/C6CP07371A

Rondiya, Sachin, Rokade, Avinash, Funde, Adinath, Kartha, Moses, Pathan, Habib and Jadkar, Sandesh 2017. Synthesis of CdS thin films at room temperature by RF-magnetron sputtering and study of its structural, electrical, optical and morphology properties. Thin Solid Films 631 , pp. 41-49. 10.1016/j.tsf.2017.04.006

Rondiya, Sachin, Rokade, Avinash, Gabhale, Bharat, Pandharkar, Subhash, Chaudhari, Madhavi, Date, Abhijit, Chaudhary, Minakshi, Pathan, Habib and Jadkar, Sandesh 2017. Effect of bath temperature on optical and morphology properties of CdS thin films grown by chemical bath deposition. Energy Procedia 110 , pp. 202-209. 10.1016/j.egypro.2017.03.128

Rondiya, Sachin, Rokade, Avinash, Jadhavar, Ashok, Nair, Shruthi, Chaudhari, Madhavi, Kulkarni, Rupali, Mayabadi, Azam, Funde, Adinath, Pathan, Habib and Jadkar, Sandesh 2017. Effect of calcination temperature on the properties of CZTS absorber layer prepared by RF sputtering for solar cell applications. Materials for Renewable and Sustainable Energy 6 (2) , p. 8. 10.1007/s40243-017-0092-6

Rondiya, Sachin, Wadnerkar, Nitin, Jadhav, Yogesh, Jadkar, Sandesh, Haram, Santosh and Kabir, Mukul 2017. Structural, electronic, and optical properties of Cu2NiSnS4: a combined experimental and theoretical study toward photovoltaic applications. Chemistry of Materials 29 (7) , pp. 3133-3142. 10.1021/acs.chemmater.7b00149

Rose, Ian, Bezzu, C. Grazia, Carta, Mariolino

, Comesaña-Gándara, Bibiana, Lasseuguette, Elsa, Ferrari, M. Chiara, Bernardo, Paola, Clarizia, Gabriele, Fuoco, Alessio, Jansen, Johannes C., Hart, Kyle E., Liyana-Arachchi, Thilanga P., Colina, Coray M. and McKeown, Neil B. 2017. Polymer ultrapermeability from the inefficient packing of 2D chains. Nature Materials 16 (9) , pp. 932-937. 10.1038/nmat4939

Royer, Jacques, Berezin, Andrey and Marinelli, Davide 2017. Tert-butylation of naphthalene-2,6-diol and 6-methoxynaphthalen-2-ol. ARKIVOC 2017 (3) , pp. 287-292. 10.24820/ark.5550190.p010.242

Sadeghnejad, Abdolhamid, Lu, Li, Kiely, Christopher J.

, Berger, Bryan W. and McIntosh, Steven 2017. Single enzyme direct biomineralization of ZnS, ZnxCd1�xS and ZnxCd1�xS–ZnS quantum confined nanocrystals. RSC Advances 7 (61) , pp. 38490-38497. 10.1039/C7RA05586B

Saeed, Hiwa K., Jarman, Paul J., Archer, Stuart, Sreedharan, Sreejesh, Saeed, Ibrahim Q., Mckenzie, Luke K., Weinstein, Julia A., Buurma, Niklaas J.

, Smythe, Carl G. W. and Thomas, Jim A. 2017. Homo- and heteroleptic phototoxic dinuclear metallo-intercalators based on RuII(dppn) intercalating moieties: synthesis, optical, and biological studies. Angewandte Chemie International Edition 56 (41) , pp. 12628-12633. 10.1002/anie.201707350

Saeed, Hiwa, Saeed, Ibrahim, Buurma, Niklaas

and Thomas, Jim Antony 2017. The structure of linkers affects the DNA binding properties of tethered dinuclear ruthenium (II) metallo-intercalators. Chemistry - A European Journal 23 (23) , 5467 -5477. 10.1002/chem.201605750

Sagatov, Yerbol 2017. Exploring the use of enabling technologies for synthetic organic chemistry. MPhil Thesis, Cardiff University.

Item availability restricted.

Santi, Micol, Müller, Simon T. R., Folgueiras-Amador, Ana, Uttry, Alexander, Hellier, Paul and Wirth, Thomas

2017. Enantioselective synthesis of trans-2,3-Dihydro-1H-indoles through C-H Insertion of a-Diazocarbonyl compounds. European Journal of Organic Chemistry 2017 (14) , pp. 1889-1893. 10.1002/ejoc.201700412

Sathiyajith, CuhaWijay, Hallett, Andrew J., Amoroso, Angelo J.

and Edwards, Peter G.

2017. Dual modal imaging agents based on chromophore-bearing DTPA analogues. RSC Advances 7 (61) , pp. 38463-38470. 10.1039/C7RA06946D

Savva, Anastasia C., Mirallai, Styliana I., Zissimou, Georgia A., Berezin, Andrey A., Demetriades, Marina, Kourtellaris, Andreas, Constantinides, Christos P., Nicolaides, Constantinos, Trypiniotis, Theodossis and Koutentis, Panayiotis A. 2017. Preparation of Blatter radicals via aza-Wittig chemistry: The reaction of N-aryliminophosphoranes with 1-(het)aroyl-2-aryldiazenes. Journal of Organic Chemistry 82 (14) , pp. 7564-7575. 10.1021/acs.joc.7b01297

Scott, Alan F., Luk, Louis Yu Pan

2017. Chemical ligation and isotope labeling to locate dynamic effects. Imperiali, Barbara, ed. Methods in Enzymology, Vol. 596. Elsevier, pp. 23-41. (10.1016/bs.mie.2017.06.040)

Seema, Humaira, Shirinfar, Bahareh, Shi, Genggongwo, Youn, Il Seung and Ahmed, Nisar

2017. Facile synthesis of selective biomolecule chemosensor and fabrication of its highly fluorescent graphene complex. Journal of Physical Chemistry B 121 (19) , pp. 5007-5016. 10.1021/acs.jpcb.7b02888

Sharpe, Helen R., Geer, Ana M., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2017. Iron(II)‐catalyzed hydrophosphination of isocyanates. Angewandte Chemie International Edition 56 (17) , pp. 4845-4848. 10.1002/anie.201701051

Sharpe, Helen R., Geer, Ana M., Williams, Huw E. L., Blundell, Toby J., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2017. Cyclotrimerisation of isocyanates catalysed by low-coordinate Mn(ii) and Fe(ii) m-terphenyl complexes. Chemical Communications 53 (5) , pp. 937-940. 10.1039/C6CC07243G

Sharpe, Ryan, Counsell, Jonathan David and Bowker, Michael

2017. Pd segregation to the surface of Au on Pd(111) and on Pd/TiO2(110). Surface Science 656 , pp. 60-65. 10.1016/j.susc.2016.10.005

Shaw, Paul A., Clarkson, Guy J. and Rourke, Jonathan P.

2017. Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre. Chemical Science 8 (8) , pp. 5547-5558. 10.1039/C7SC01361B

Shaw, Paul A., Clarkson, Guy J. and Rourke, Jonathan P.

2017. Oxidation of an o -tolyl phosphine complex of platinum: C-H activation and transcyclometallation. Journal of Organometallic Chemistry 851 , pp. 115-121. 10.1016/j.jorganchem.2017.09.026

Shaw, Paul A. and Rourke, Jonathan P.

2017. Selective C-C coupling at a Pt(IV) centre: 100% preference for sp2-sp3 over sp3-sp3. Dalton Transactions 46 (14) , pp. 4768-4776. 10.1039/C7DT00328E

Sheng, Xiang, Zhu, Wen, Huddleston, Jamison, Xiang, Dao Fen, Raushel, Frank M., Richards, Nigel G. J.

and Himo, Fahmi 2017. A combined experimental-theoretical study of the ligW-catalyzed decarboxylation of 5-carboxyvanillate in the metabolic pathway for lignin degradation. ACS Catalysis 7 (8) , pp. 4968-4974. 10.1021/acscatal.7b01166

Shi, Hui, Fan, Zhaoyu, Hong, Bing and Pera-Titus, Marc 2017. Aquivion perfluorosulfonic superacid as an efficient pickering interfacial catalyst for the hydrolysis of triglycerides. ChemSusChem 10 (17) , pp. 3363-3367. 10.1002/cssc.201700663

Slater, T. J. A.

, Bradley, R. S., Bertali, G., Geurts, R., Northover, S. M., Burke, M. G., Haigh, S. J., Burnett, T. L. and Withers, P. J. 2017. Multiscale correlative tomography: an investigation of creep cavitation in 316 stainless steel. Scientific Reports 7 (1) , 7332. 10.1038/s41598-017-06976-5

Smith, Daniel

, Newbury, Lucy, Drago, Guido, Bowen, Timothy

and Redman, James Edward

2017. Electrochemical detection of urinary microRNAs via sulfonamide-bound antisense hybridisation. Sensors and Actuators B: Chemical 253 , pp. 335-341. 10.1016/j.snb.2017.06.069

Smith, Daniel

2017. Electrochemical detection of microRNA. PhD Thesis, Cardiff University.

Item availability restricted.

Smith, Paul J., Kondrat, Simon A., Carter, James H., Chater, Philip A., Bartley, Jonathan K.

, Spencer, Michael S. and Hutchings, Graham J.

2017. Supercritical antisolvent precipitation of amorphous copper–zinc georgeite and acetate precursors for the preparation of ambient‐pressure water‐gas‐shift copper/zinc oxide catalysts. ChemCatChem 9 (9) , pp. 1621-1631. 10.1002/cctc.201601603

Smith, Paul J., Kondrat, Simon A., Chater, Philip A., Yeo, Benjamin R., Shaw, Greg M., Lu, Li, Bartley, Jonathan K.

, Spencer, Michael S., Kiely, Christopher J.

, Kelly, Gordon J., Park, Colin W. and Hutchings, Graham J.

2017. A new class of Cu/ZnO catalysts derived from zincian georgeite precursors prepared by co-precipitation. Chemical Science 8 (3) , pp. 2436-2447. 10.1039/C6SC04130B

So, Wing Ho, Zhang, Yu, Kang, Wei, Wong, Clarence T.T., Sun, Hongyan and Xia, Jiang 2017. Site-selective covalent reactions on proteinogenic amino acids. Current Opinion in Biotechnology 48 , pp. 220-227. 10.1016/j.copbio.2017.06.003

Sobhy, Islam S., Woodcock, Christine M., Powers, Stephen J., Caulfield, John C., Pickett, John

and Birkett, Michael A. 2017. cis-Jasmone elicits aphid-induced stress signalling in potatoes. Journal of Chemical Ecology 43 (1) , pp. 39-52. 10.1007/s10886-016-0805-9

Solano, Philippe, Saini, Rajinder K., Orindi, Benedict O., Mbahin, Norber, Andoke, John A., Muasa, Peter N., Mbuvi, David M., Muya, Caroline M., Pickett, John A.

and Borgemeister, Christian W. 2017. Protecting cows in small holder farms in East Africa from tsetse flies by mimicking the odor profile of a non-host bovid. PLoS Neglected Tropical Diseases 11 (10) , e0005977. 10.1371/journal.pntd.0005977

Solomek, Tomas, Powers-Riggs, Natalia E., Wu, Yi-Lin

, Young, Ryan M., Krzyaniak, Matthew D., Horwitz, Noah E. and Wasielewski, Michael R. 2017. Electron hopping and charge separation within a naphthalene-1,4:5,8-bis(dicarboximide) chiral covalent organic cage. Journal of the American Chemical Society 139 (9) , pp. 3348-3351. 10.1021/jacs.7b00233

Soltani, Yashar, Wilkins, Lewis C. and Melen, Rebecca L.

2017. Stöchiometrische und katalytische C-C- und C-H-Bindungsbildung mit B(C6 F5 )3 über kationische Zwischenstufen. Angewandte Chemie 129 (39) , pp. 12157-12161. 10.1002/ange.201704789

Soltani, Yashar, Wilkins, Lewis C. and Melen, Rebecca L.

2017. Stoichiometric and catalytic C-C and C-H bond formation with B(C6F5)3 via cationic intermediates. Angewandte Chemie International Edition 56 (39) , pp. 11995-11999. 10.1002/anie.201704789

Soveral, Graça and Casini, Angela

2017. Aquaporin modulators: a patent review (2010-2015). Expert Opinion on Therapeutic Patents 27 (1) , pp. 49-62. 10.1080/13543776.2017.1236085

Spangler, Leah, C., Chu, Roxanne, Lu, Li, Kiely, Christopher J.

, Berger, Bryan W. and McIntosh, Steven 2017. Enzymatic biomineralization of biocompatible CuInS2, (CuInZn)S2 and CuInS2/ZnS core/shell nanocrystals for bioimaging. Nanoscale 9 (27) , pp. 9340-9351. 10.1039/C7NR02852K

Spreckelmeyer, Sarah, Estrada-Ortiz, Natalia, Prins, Gerian G. H., van der Zee, Margot, Gammelgaard, Bente, Stürup, Stefan, de Graaf, Inge A. M., Groothuis, Geny M. M. and Casini, Angela

2017. On the toxicity and transport mechanisms of cisplatin in kidney tissues in comparison to a gold-based cytotoxic agent. Metallomics 2017 (9) , pp. 1786-1795. 10.1039/C7MT00271H

Springer, Sergej, Heidenreich, Niclas, Stock, Norbert, van Wüllen, Leo, Huber, Klaus, Leoni, Stefano

and Wiebcke, Michael 2017. The ZIF system zinc(II) 4,5-dichoroimidazolate: theoretical and experimental investigations of the polymorphism and crystallization mechanisms. Zeitschrift für Kristallographie - Crystalline Materials 232 (1-3) , pp. 77-90. 10.1515/zkri-2016-1968

Stishenko, P. and Svalova, A. 2017. Computer simulation of formation and decomposition of Au13 nanoparticles. Presented at: 2017 International Scientific Conference on Oil and Gas Engineering (OGE), Omsk, Russian Federation, 24-28 April 2017. AIP Conference Proceedings. , vol.1876 American Institute of Physics, 020002. 10.1063/1.4998822

Stokes, Emily C. 2017. Amphiphilic ligand architectures for s-, d- and f-block metallosurfactants towards micellar systems and microemulsions. PhD Thesis, Cardiff University.

Item availability restricted.

Subaihi, Abdu, Muhamadali, Howbeer, Mutter, Shaun T, Blanch, Ewan, Ellis, David I. and Goodacre, Royston 2017. Quantitative detection of codeine in human plasma using surface-enhanced Raman scattering via adaptation of the isotopic labelling principle. Analyst 142 (7) , pp. 1099-1105. 10.1039/C7AN00193B

Subaihi, Abdu, Xu, Yun, Muhamadali, Howbeer, Mutter, Shaun, Blanch, Ewan W., Ellis, David I. and Goodacre, Royston 2017. Towards improved quantitative analysis using surface-enhanced Raman scattering incorporating internal isotope labelling. Analytical Methods 9 (47) , pp. 6636-6644. 10.1039/C7AY02527K

Subramanian, Nachal, Caravaca, Angel, García-García, Francisco R. and Bowker, Michael

2017. Sustainable hydrogen and/or syngas production: new approaches to reforming. Hutchings, Graham John, Davidson, Matthew, Catlow, Charles Richard A., Hardacre, Christopher, Turner, Nicholas and Collier, Paul, eds. Modern Developments in Catalysis, World Scientific Publishing, pp. 1-39. (10.1142/9781786341228_0001)

Sun, Songmei, An, Qi, Wang, Wenzhong, Zhang, Ling, Liu, Jianjun and III, William A. Goddard 2017. Efficient photocatalytic reduction of dinitrogen to ammonia on bismuth monoxide quantum dots. Journal of Materials Chemistry A 5 (1) , pp. 201-209. 10.1039/c6ta09275f

Sun, Songmei, Li, Xiaoman, Wang, Wenzhong, Zhang, Ling and Sun, Xiang 2017. Photocatalytic robust solar energy reduction of dinitrogen to ammonia on ultrathin MoS 2. Applied Catalysis B: Environmental 200 , p. 323. 10.1016/j.apcatb.2016.07.025

Sun, Xiang, Jiang, Dong, Zhang, Ling, Sun, Songmei and Wang, Wenzhong 2017. Enhanced nitrogen photofixation over LaFeO3 via acid treatment. ACS Sustainable Chemistry and Engineering 5 (11) , pp. 9965-9971. 10.1021/acssuschemeng.7b01912

Susner, Michael A., Chyasnavichyus, Marius, Puretzky, Alexander A., He, Qian

, Conner, Benjamin S., Ren, Yang, Cullen, David A., Ganesh, Panchapakesan, Shin, Dongwon, Demir, Hakan, McMurray, Jacob W., Borisevich, Albina Y., Maksymovych, Petro and McGuire, Michael A. 2017. Cation-eutectic transition via sublattice melting in CuInP2S6/In4/3P2S6 van der Waals layered crystals. ACS Nano 11 (7) , pp. 7060-7073. 10.1021/acsnano.7b02695

Suwardiyanto, Suwardiyanto, Howe, Russell F., Gibson, Emma K., Catlow, Charles Richard

, Hameed, Ali, McGregor, James, Collier, Paul, Parker, Stewart F. and Lennon, David 2017. An assessment of hydrocarbon species in the methanol-to-hydrocarbon reaction over a ZSM-5 catalyst. Faraday Discussions 197 , pp. 447-471. 10.1039/C6FD00195E

Tafreshi, Saeedeh S., Roldan Martinez, Alberto

2017. Micro-kinetic simulations of the catalytic decomposition of hydrazine on the Cu(111) surface. Faraday Discussions 197 , pp. 41-57. 10.1039/C6FD00186F

Tamiru, Amanuel, Bruce, Toby J. A., Richter, Annett, Woodcock, Christine M., Midega, Charles A. O., Degenhardt, Jörg, Kelemu, Segenet, Pickett, John

and Khan, Zeyaur R. 2017. A maize landrace that emits defense volatiles in response to herbivore eggs possesses a strongly inducible terpene synthase gene. Ecology and Evolution 7 (8) , pp. 2835-2845. 10.1002/ece3.2893

Tang, Xiaoping, Allemann, Rudolf Konrad

and Wirth, Thomas

2017. Optimising terpene synthesis with flow biocatalysis. European Journal of Organic Chemistry 2017 (2) , pp. 414-418. 10.1002/ejoc.201601388

Tang, Xiaoping, Demiray, Melodi, Wirth, Thomas

2017. Concise synthesis of artemisinin from a farnesyl diphosphate analogue. Bioorganic & Medicinal Chemistry 26 (7) , pp. 1314-1319. 10.1016/j.bmc.2017.03.068

Tansell, Alexander J., Jones, Corey L. and Easun, Timothy L.

2017. MOF the beaten track: unusual structures and uncommon applications of metal-organic frameworks. Chemistry Central Journal 11 , 100. 10.1186/s13065-017-0330-0

Tarantino, Giulia, Botti, L., Dimitratos, Nikolaos

and Hammond, Ceri

2017. Catalytic formation of C(sp3 )–F bonds via decarboxylative fluorination with mechanochemically-prepared Ag2O/TiO2 heterogeneous catalysts. RSC Advances 7 (48) , pp. 30185-30190. 10.1039/C7RA06180C

Taylor, Nicholas J., Emer, Enrico, Preshlock, Sean, Schedler, Michael, Tredwell, Matthew

, Verhoog, Stefan, Mercier, Joel, Genicot, Christophe and Gouverneur, Veronique 2017. Derisking the Cu-mediated 18F-fluorination of heterocyclic positron emission tomography radioligands. Journal of the American Chemical Society 139 (24) , pp. 8267-8276. 10.1021/jacs.7b03131

Taylor, Stuart H.

, Clarke, Tomos, Sankar, Meenakshisundaram, Jenkins, Robert, Knight, David, Golunski, Stanislaw

and Francisco, Manuel 2017. Oxidation of polynuclear aromatic hydrocarbons using ruthenium ion catalyzed oxidation: The role of aromatic ring number in reaction kinetics and product distribution. Chemistry - a European Journal 10.1002/chem.201704133

Taylor, Felicity H., Buckeridge, John and Catlow, Charles Richard A.

2017. Screening divalent metals for A- and B-site dopants in LaFeO3. Chemistry of Materials 29 (19) , pp. 8147-8157. 10.1021/acs.chemmater.7b01993

Taylor, Stuart H.

2017. Reflections on catalytic selective oxidation: opportunities and challenges [Editorial]. Catalysts 7 (1) , 34. 10.3390/catal7010034

Terranova, Umberto and De Leeuw, Nora H.

2017. Phase stability and thermodynamic properties of FeS polymorphs. Journal of Physics and Chemistry of Solids 111 , pp. 317-323. 10.1016/j.jpcs.2017.07.033

Thomas, Matthew Gareth 2017. Improving the performance of magnetic steel coatings. PhD Thesis, Cardiff University.

Item availability restricted.

Thomas, John Meurig Harris, Kenneth

, ed. 2017. The selected papers of Sir John Meurig Thomas. World Scientific Publishing Europe Ltd. 10.1142/q0055

Tomer, A., Yan, Z., Ponchel, A. and Pera-Titus, M. 2017. Mixed oxides supported low-nickel formulations for the direct amination of aliphatic alcohols with ammonia. Journal of Catalysis 356 , pp. 133-146. 10.1016/j.jcat.2017.08.015

Tomer, Ajay, Wyrwalski, Frédéric, Przybylski, Cédric, Paul, Jean-François, Monflier, Eric, Pera-Titus, Marc and Ponchel, Anne 2017. Facile preparation of Ni/Al2O3 catalytic formulations with the aid of cyclodextrin complexes: Towards highly active and robust catalysts for the direct amination of alcohols. Journal of Catalysis 356 , pp. 111-124. 10.1016/j.jcat.2017.10.006

Toth, P.S., Velicky, M., Slater, T.J.A.

, Worrall, S.D. and Haigh, S.J. 2017. Hydrogen evolution and capacitance behavior of Au/Pd nanoparticle-decorated graphene heterostructures. Applied Materials Today 8 , pp. 125-131. 10.1016/j.apmt.2017.07.008

Tran, Thao T. P., Ould, Darren M. C., Wilkins, Lewis C., Wright, Dominic S., Melen, Rebecca

and Rawson, Jeremy M. 2017. Supramolecular aggregation in dithia-arsoles: chlorides, cations and N-centred paddlewheels. Crystengcomm 19 (32) , pp. 4696-4699. 10.1039/C7CE01117B

Turner, Matthew, Deeth, Robert J. and Platts, James Alexis

2017. Prediction of ligand effects in platinum-amyloid-β coordination. Journal of Inorganic Biochemistry 173 , pp. 44-51. 10.1016/j.jinorgbio.2017.05.003

Ullah, Hussain, Twamley, Brendan, Waseem, Amir, Khawar Rauf, Muhammed, Tahir, Muhammad Nawaz, Platts, James A

and Baker, Robert J. 2017. Tin…oxygen tetrel bonding: a combined structural, spectroscopic and computational study. Crystal Growth and Design 17 (7) , pp. 4021-4027. 10.1021/acs.cgd.7b00678

Underhill, Ricci 2017. The in situ generation of H2O2 from H2 and O2 for use in oxidation reactions. PhD Thesis, Cardiff University.

Item availability restricted.

Vaida, Veronica, Reed Harris, Allison E., Rapf, Rebecca J., Perkins, Russell J. and Carpenter, Barry

2017. Comment on “reactivity of ketyl and acetyl radicals from direct solar actinic photolysis of aqueous pyruvic acid”. Journal of Physical Chemistry A 121 (45) , pp. 8738-8740. 10.1021/acs.jpca.7b06018

Vallotto, C., Williams, H. E., Murphy, Damien M.

, Ayres, Z.J., Edge, R., Newton, M.E. and Wedge, C.J. 2017. An Electron Paramagnetic Resonance (EPR) spectroscopy study on the γ-irradiation sterilization of the pharmaceutical excipient l-histidine: Regeneration of the radicals in solution. International Journal of Pharmaceutics 533 (1) , pp. 315-319. 10.1016/j.ijpharm.2017.09.068

Vandaele, Eva R. J., Arvanitidis, Athanasios and Ceulemans, Arnout 2017. The quantization of the Rabi Hamiltonian. Journal of Physics A: Mathematical and Theoretical 50 (11) , 114002. 10.1088/1751-8121/aa5bc2

Vaughn, Arni, Ball, Jeremy, Heil, Tobias, Morgan, David

, Lampronti, Giulio, Mar?alkait?, Gabija, Raston, Colin L, Power, Nicholas P and Kellici, Suela 2017. Selective calixarene directed synthesis of MXene plates, crumpled sheets, spheres and scrolls. Chemistry - a European Journal 23 (34) , pp. 8128-8133. 10.1002/chem.201701702

Vulcano, Rosaria, Pengo, Paolo, Velari, Simone, Wouters, Johan, De Vita, Alessandro, Tecilla, Paolo and Bonifazi, Davide

2017. Toward fractioning of isomers through binding-induced acceleration of azobenzene switching. Journal of the American Chemical Society 139 (50) , pp. 18271-18280. 10.1021/jacs.7b09568

Wang, Y. C., Slater, T. J. A.

, Rodrigues, T. S., Camargo, P. H. C. and Haigh, S. J. 2017. Automated quantification of morphology and chemistry from STEM data of individual nanoparticles. Journal of Physics: Conference Series 902 (1) , 012018. 10.1088/1742-6596/902/1/012018

Wenzel, Margot

and Casini, Angela

2017. Mass spectrometry as a powerful tool to study therapeutic metallodrugs speciation mechanisms: current frontiers and perspectives. Coordination Chemistry Reviews 352 , pp. 432-460. 10.1016/j.ccr.2017.02.012

Wenzel, Margot

, Meier-Menches, Samuel, Williams, Thomas, Rämisch, Eberhard, Barone, Giampaolo and Casini, Angela

2017. Selective targeting of PARP-1 zinc finger recognition domains with Au(III) organometallics. Chemical Communications 54 (6) , pp. 611-614. 10.1039/C7CC08406D

Werrell, Jessica, Mandal, Soumen

, Thomas, Evan L. H., Brousseau, Emmanuel Bruno Jean Paul

, Lewis, Ryan, Borri, Paola

and Williams, Oliver Aneurin

2017. Effect of slurry composition on the chemical mechanical polishing of thin diamond films. Science and Technology of Advanced Materials 18 (1) , pp. 654-663. 10.1080/14686996.2017.1366815.

Wilkins, Lewis 2017. Hard versus soft reactivity of Lewis acidic boranes. PhD Thesis, Cardiff University.

Item availability restricted.

Wilkins, Lewis C., Howard, Joseph L., Burger, Stefan, Frentzel-Beyme, Louis, Browne, Duncan L.

2017. Exploring multistep continuous-flow hydrosilylation reactions catalyzed by tris(pentafluorophenyl)borane. Advanced Synthesis and Catalysis 359 (15) , pp. 2580-2584. 10.1002/adsc.201700349

Wilkins, Lewis C. and Melen, Rebecca L.

2017. Small molecule activation with frustrated Lewis pairs. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, pp. 1-24. (10.1002/9781119951438.eibc2520)

Wilkins, Lewis C., Melen, Rebecca L.

2017. Amidine functionalized phosphines: tuneable ligands for transition metals. Dalton Transactions 46 (41) , pp. 14234-14243. 10.1039/C7DT03343E

Wilkins, Lewis C., Santi, Nicolo

, Luk, Louis Y. P.

2017. Reactions of biologically inspired hydride sources with B(C6F5)3. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 375 (2101) , 20170009. 10.1098/rsta.2017.0009

Willcox, Darren, Nouch, Ryan, Kingsbury, Alexander, Robinson, David, Carey, Joe V., Brough, Steve and Woodward, Simon 2017. Kinetic Analysis of Copper(I)/Feringa-Phosphoramidite Catalyzed AlEt3 1,4-Addition to Cyclohex-2-en-1-one. ACS Catalysis 7 (10) , pp. 6901-6908. 10.1021/acscatal.7b02198

Wirth, Thomas

2017. Neue organische synthesen durch ultraschnelle chemie. Angewandte Chemie 129 (3) , pp. 698-700. 10.1002/ange.201609595

Wirth, Thomas

2017. Integration of flow chemistry in multistep syntheses. European Journal of Organic Chemistry 2017 (44) , p. 6464. 10.1002/ejoc.201701543

Wirth, Thomas

2017. 35.1.5.1.12 Synthesis of 1-Chloro-n-Heteroatom-Functionalized Alkanes (n ≥2) by Addition across C=C Bonds. Science of Synthesis Knowledge Updates 2017/1, Georg Thieme Verlag KG, pp. 403-442. (10.1055/sos-SD-135-00173)

Wirth, Thomas

2017. 4.4.19.4 Silyl Sulfides and Selenides. Science of Synthesis Knowledge Updates 2017/1, Vol. 1. Georg Thieme Verlag KG, pp. 189-202. (10.1055/sos-SD-104-00365)

Wirth, Thomas

2017. Novel organic synthesis through ultrafast chemistry. Angewandte Chemie - International Edition 56 (3) , pp. 682-684. 10.1002/anie.201609595

Wirth, Thomas

2017. Organic synthesis in flow for medicinal chemistry. Bioorganic & Medicinal Chemistry 25 (23) , p. 6179. 10.1016/j.bmc.2017.11.013

Wirth, Thomas

2017. Thomas Wirth. European Journal of Organic Chemistry 2017 (44) , pp. 6465-6464. 10.1002/ejoc.201701545

Wirth, Thomas

and Mizar, Pushpak 2017. Iodoaminations of alkenes. Synthesis 49 (5) , pp. 981-986. 10.1055/s-0036-1588630

Wirth, Thomas

and Singh, F. V. 2017. 2.2 Catalytic oxidations with hypervalent iodine. Muniz, Kilian, ed. Science of Synthesis: Catalytic Oxidation in Organic Synthesis, Thieme, pp. 29-62.

Wotton, Daniel 2017. Functionalisation of graphite surfaces with varying concentrations of nitric acid and aqua regia, and their effect on the deposition of gold nanoparticles. MPhil Thesis, Cardiff University.

Item availability restricted.

Wu, Liang, Jiang, Jianbing, Jin, Yi

, Kallemeijn, Wouter W., Kuo, Chi-Lin, Artola, Marta, Dai, Wei, van Elk, Cas, van Eijk, Marco, van der Marel, Gijsbert A., Codée, Jeroen D. C., Florea, Bogdan I., Aerts, Johannes M. F. G., Overkleeft, Herman S. and Davies, Gideon J. 2017. Activity-based probes for functional interrogation of retaining β-glucuronidases. Nature Chemical Biology 13 , pp. 867-873. 10.1038/nchembio.2395

Wu, Zuliang, Wang, Jiaxing, Han, Jingyi, Yao, Shuiliang, Xu, Shaojun and Martin, Philip 2017. Naphthalene decomposition by dielectric barrier discharges at atmospheric pressure. IEEE Transactions on Plasma Science 45 (1) , pp. 154-161. 10.1109/TPS.2016.2632154

Wu, Yi-Lin

, Horwitz, Noah E., Chen, Kan-Sheng, Gomez-Gualdron, Diego A., Luu, Norman S., Ma, Lin, Wang, Timothy C., Hersam, Mark C., Hupp, Joseph T., Farha, Omar K., Snurr, Randall Q. and Wasielewski, Michael R. 2017. G-quadruplex organic frameworks. Nature Chemistry 9 , 466–472. 10.1038/nchem.2689

Xu, Shaojun, Whitehead, J. Christopher and Martin, Philip A. 2017. CO2 conversion in a non-thermal, barium titanate packed bed plasma reactor: the effect of dilution by Ar and N2l, barium titanate packed bed plasma reactor: the effect of dilution by Ar and N 2. Chemical Engineering Journal 327 , pp. 764-773. 10.1016/j.cej.2017.06.090

Yakabi, Keiko, Mathieux, Thibault, Milne, Kirstie, López-Vidal, Eva M., Buchard, Antoine and Hammond, Ceri

2017. Continuous production of biorenewable, polymer-grade lactone monomers through Sn-β-catalyzed baeyer-villiger oxidation with H2 O2. Chemsuschem 10 (18) , pp. 3652-3659. 10.1002/cssc.201701298

Yang, Zhou, Lu, Li, Kiely, Christopher J.

, Berger, Bryan W. and McIntosh, Steven 2017. Single enzyme direct biomineralization of CdSe and CdSe-CdS core-shell quantum dots. ACS Applied Materials and Interfaces 9 (15) , pp. 13430-13439. 10.1021/acsami.7b00133

Yannakakis, Mary-Patricia, Simal, Carmen, Tzoupis, Haralambos, Rodi, Maria, Dargahi, Narges, Prakash, Monica, Mouzaki, Athanasia, Platts, James Alexis

, Apostolopoulos, Vasso and Tselios, Theodore 2017. Design and synthesis of non-peptide mimetics mapping the immunodominant myelin basic protein (MBP83-96) epitope to function as T-Cell receptor antagonists. International Journal of Molecular Sciences 18 (6) , 1215. 10.3390/ijms18061215

Yao, Siyu, Zhang, Xiao, Zhou, Wu, Gao, Rui, Xu, Wenqian, Ye, Yifan, Lin, Lili, Wen, Xiaodong, Liu, Ping, Chen, Bingbing, Crumlin, Ethan, Guo, Jinghua, Zuo, Zhijun, Li, Weizhen, Xie, Jinglin, Lu, Li, Kiely, Christopher J.

, Gu, Lin, Shi, Chuan, Rodriguez, José A. and Ma, Ding 2017. Atomic-layered Au clusters on α-MoC as catalysts for the low-temperature water-gas shift reaction. Science 357 (6349) , pp. 389-393. 10.1126/science.aah4321

Yenchalwar, Sandeep G., Rondiya, Sachin R., Shinde, Pravin N., Jadkar, Sandesh R. and Shelke, M. V. 2017. Optical antenna effect on SiNWs/CuS photodiodes. physica status solidi (a) 214 (5) , 1600635. 10.1002/pssa.201600635

Yevglevskis, Maksims, Lee, Guat L., Nathubhai, Amit, Petrova, Yoana D., James, Tony D., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2017. A novel colorimetric assay for α-methylacyl-CoA racemase 1A (AMACR; P504S) utilizing the elimination of 2,4-dinitrophenolate. Chemical Communications 53 (37) , pp. 5087-5090. 10.1039/C7CC00476A

Yin, Qin, Soltani, Yashar, Melen, Rebecca

and Oestreich, Martin 2017. BArF3-catalyzed imine hydroboration with pinacolborane not requiring the assistance of an additional Lewis base. Organometallics 36 (13) , pp. 2381-2384. 10.1021/acs.organomet.7b00381

Yoshida, Rei, Sun, Daolai, Yamada, Yasuhiro, Sato, Satoshi and Hutchings, Graham John

2017. Vapor-phase hydrogenation of levulinic acid to γ-valerolactone over Cu-Ni bimetallic catalysts. Catalysis Communications 97 , pp. 79-82. 10.1016/j.catcom.2017.04.018

Zeinalipour-Yazdi, Constantinos D. and Catlow, Charles Richard

2017. A computational study of the heterogeneous synthesis of hydrazine on Co3Mo3N. Catalysis Letters 147 (7) , pp. 1820-1826. 10.1007/s10562-017-2080-y

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J., Laassiri, Said and Catlow, Charles Richard

2017. DFT-D3 study of H2 and N2 chemisorption over cobalt promoted Ta3N5-(100), (010) and (001) surfaces. Physical Chemistry Chemical Physics 19 , pp. 11968-11974. 10.1039/C7CP00806F

Zha, Kaiwen, Cai, Sixiang, Hu, Hang, Li, Hongrui, Yan, Tingting, Shi, Liyi and Zhang, Dengsong 2017. In situ DRIFTs investigation of promotional effects of tungsten on MnOx-CeO2/meso-TiO2 catalysts for NOx reduction. Journal of Physical Chemistry C 121 (45) , 25243–25254. 10.1021/acs.jpcc.7b08600

Zhao, Liang, Kong, Liping, Liu, Chunze, Wang, Yuanyuan and Dai, Liyi 2017. AgCu/SiC-powder: A highly stable and active catalyst for gas-phase selective oxidation of alcohols. Catalysis Communications 98 , pp. 1-4. 10.1016/j.catcom.2017.04.043

Zheng, Chunli, Wang, Qiaorui, Ning, Yanli, Fan, Yurui, Feng, Shanshan, He, Chi, Zhang, Tian C. and Shen, Zhenxing 2017. Isolation of a 2-picolinic acid-assimilating bacterium and its proposed degradation pathway. Bioresource Technology 245 , pp. 681-688. 10.1016/j.biortech.2017.09.031

Zhou, Wu, Soultanidis, Nikolaos, Xu, Hui, Wong, Michael S., Neurock, Matthew, Kiely, Christopher J.

and Wachs, Israel E. 2017. Nature of catalytically active sites in the supported WO3/ZrO2 solid acid system: a current perspective. ACS Catalysis 7 (3) , pp. 2181-2198. 10.1021/acscatal.6b03697

Zhu, Wen and Richards, Nigel G. J.

2017. Biological functions controlled by manganese redox changes in mononuclear Mn-dependent enzymes. Essays in Biochemistry 61 (2) , pp. 259-270. 10.1042/EBC20160070

Zilka, Miri, Dudenko, Dmytro V, Hughes, Colan, Williams, Philip, Sturniolo, Simone, Franks, W. Trent, Pickard, Chris J., Yates, Jonathan R., Harris, Kenneth

and Brown, Steven P. 2017. Ab initio random structure searching of organic molecular solids: assessment and validation against experimental data. Physical Chemistry Chemical Physics 19 (38) , pp. 25949-25960. 10.1039/C7CP04186A

2016

Ab Rahim, Mohd Hasbi, Armstrong, Robert, Hammond, Ceri

, Dimitratos, Nikolaos

, Freakley, Simon, Forde, Michael, Morgan, David John

, Lalev, Georgi, Jenkins, Robert Leyshon, Lopez-Sanchez, Jose A., Taylor, Stuart H.

2016. Low temperature selective oxidation of methane to methanol using titania supported gold palladium copper catalysts. Catalysis Science & Technology 6 (10) , pp. 3410-3418. 10.1039/C5CY01586C

Abhinand, P. A., Shaikh, Faraz, Bhakat, Soumendranath, Radadiya, Ashish

, Bhaskar, L. V. K. S., Shah, Anamik and Ragunath, P. K. 2016. Insights on the structural perturbations in human MTHFR Ala222Val mutant by protein modeling and molecular dynamics. Journal of Biomolecular Structure and Dynamics 34 (4) , pp. 892-905. 10.1080/07391102.2015.1057866

Aitchison, Hope, Wingad, Richard L. and Wass, Duncan F.

2016. Homogeneous ethanol to butanol catalysis Guerbet renewed. ACS Catalysis 6 (10) , pp. 7125-7132. 10.1021/acscatal.6b01883

Akimenko, S. S., Gorbunov, V. A., Myshlyavtsev, A. V. and Stishenko, P. V. 2016. Generalized lattice-gas model for adsorption of functional organic molecules in terms of pair directional interactions. Physical Review E 93 (6) , 062804. 10.1103/PhysRevE.93.062804

Akram, Adeeba, Freakley, Simon J., Reece, Christian, Piccinini, Marco, Shaw, Greg, Edwards, Jennifer K.

, Desmedt, Frederique, Miquel, Pierre, Seuna, Eero, Willock, David J.

, Moulijn, Jacob A. and Hutchings, Graham J.

2016. Gas phase stabiliser-free production of hydrogen peroxide using supported gold-palladium catalysts. Chemical Science 7 (9) , pp. 5833-5837. 10.1039/C6SC01332E

Al-Nayili, Abbas, Yakabi, Keiko and Hammond, Ceri

2016. Hierarchically porous BEA stannosilicates as unique catalysts for bulky ketone conversion and continuous operation. Journal of Materials Chemistry A 4 (4) , pp. 1373-1382. 10.1039/C5TA08709K

Al-Rifai, Noor, Galvanin, Federico, Morad, Moataz, Cao, Enhong, Cattaneo, Stefano, Meenakshisundaram, Sankar

, Dua, Vivek, Hutchings, Graham John

and Gavriilidis, Asterios 2016. Hydrodynamic effects on three phase micro-packed bed reactor performance – Gold–palladium catalysed benzyl alcohol oxidation. Chemical Engineering Science 149 , pp. 129-142. 10.1016/j.ces.2016.03.018

Al-Riyahee, Ali 2016. An exploration of the synthesis, coordination chemistry and properties of novel thiourea ligands and their complexes. PhD Thesis, Cardiff University.

Item availability restricted.

Aldosari, Dr Obaid, Iqbal, Sarwat, Miedziak, Peter John, Brett, Gemma Louise, Jones, Daniel R., Liu, Xi, Edwards, Jennifer Kelly

, Knight, David William and Hutchings, Graham

2016. Pd-Ru/TiO2 catalyst - an active and selective catalyst for furfural hydrogenation. Catalysis Science & Technology 6 , pp. 234-242. 10.1039/C5CY01650A

Allochio Filho, João F., Roldi, Larissa L., Delarmelina, Maicon

, Fiorot, Rodolfo G., Andrade, Jessica T., Aleixo, Álan A., Carvalho, Rafaella S., Araújo, Marcelo G. F., Ferreira, Jaqueline M. S., Taranto, Alex G., Romão, Wanderson and Greco, Sandro J. 2016. Synthesis,in vitro antifungal activity and molecular modeling studies of new mannich bases derived from lawsone. Journal of the Brazilian Chemical Society 27 (11) , pp. 2127-2140. 10.5935/0103-5053.20160104

Amoroso, Angelo James

, Knight, James Christopher, Edwards, Peter Gerald

, Singh, Neha and Ward, Benjamin David

2016. Shaping and enforcing coordination spheres: probing the ability of tripodal ligands to favour trigonal prismatic geometry. Dalton Transactions 45 (26) , pp. 10630-10642. 10.1039/C6DT01165A

Amoroso, Angelo James

, Saad, Fawaz, Knight, James Christopher and Kariuki, Benson

2016. Co-ordination behaviour of a novel tristhiourea tripodal ligand; structural variations in a series of transition metal complexes. Dalton Transactions 45 (25) , pp. 10280-10288. 10.1039/C6DT01148A

Anderson, Jennifer A., Gipmans, Martijn, Hurst, Susan, Layton, Raymond, Nehra, Narender, Pickett, John

, Shah, Dilip M., Souza, Thiago Lívio P. O. and Tripathi, Leena 2016. Emerging agricultural biotechnologies for sustainable agriculture and food security. Journal of Agricultural and Food Chemistry 64 (2) , pp. 383-393. 10.1021/acs.jafc.5b04543

Angolini, Célio F. F., Gonçalves, Ana B., Sigrist, Renata, Paulo, Bruno S., Samborskyy, Markiyan, Cruz, Pedro L. R., Vivian, Adriana F., Schmidt, Eduardo M., Eberlin, Marcos N., Araújo, Welington L. and Gonzaga De Oliveira, Luciana 2016. Genome mining of endophytic Streptomyces wadayamensis reveals high antibiotic production capability. Journal of the Brazilian Chemical Society 27 (8) , pp. 1465-1475. 10.5935/0103-5053.20160180

Armstrong, Robert, Hutchings, Graham

2016. An overview of recent advances of the catalytic selective oxidation of ethane to oxygenates. Catalysts 6 (5) , 71. 10.3390/catal6050071

Asudi, George O., van den Berg, Johnnie, Midega, Charles A. O., Pickett, John

and Khan, Zeyaur R. 2016. The significance of Napier Grass Stunt Phytoplasma and Its transmission to cereals and sugarcane. Journal of Phytopathology 164 (6) , pp. 378-385. 10.1111/jph.12465

Asudi, George O., Van den Berg, Johnnie, Midega, Charles A. O., Schneider, Bernd, Seemüller, Erich, Pickett, John

and Khan, Zeyaur R. 2016. Detection, identification, and significance of phytoplasmas in wild grasses in East Africa. Plant Disease 100 (1) , pp. 108-115. 10.1094/PDIS-11-14-1173-RE

Awuah, Joel B., Dzade, Nelson

, Tia, Richard, Adei, Evans, Kwakye-Awuah, Bright, Catlow, Charles Richard

2016. A density functional theory study of arsenic immobilization by the Al(iii)-modified zeolite clinoptilolite. Physical Chemistry Chemical Physics 18 (16) , pp. 11297-11305. 10.1039/C6CP00190D

Ayres, James, Ling, Kenneth B. and Morrill, Louis

2016. N-Cyanation of secondary amines using Trichloroacetonitrile. Organic Letters 18 (21) , pp. 5528-5531. 10.1021/acs.orglett.6b02775

Bagherjeri, Fateme Akhlaghi, Vonci, Michele, Nagul, Edward A., Ritchie, Chris, Gable, Robert W., Taylor, Matthew B., Bryant, Gary, Guo, Si-Xuan, Zhang, Jie, Aparicio Sanchez, Pablo

, López, Xavier, Poblet, Josep M. and Boskovic, Colette 2016. Mixed-metal hybrid polyoxometalates with amino acid ligands: electronic versatility and solution properties. Inorganic Chemistry 55 (23) , pp. 12329-12347. 10.1021/acs.inorgchem.6b02218

Bahruji, Hasliza, Bowker, Michael

, Dimitratos, Nikolaos

, Wells, Peter, Gibson, Emma, Jones, Wilm, Brookes, Catherine, Morgan, David

and Lalev, Georgi 2016. Pd/ZnO catalysts for direct CO2 hydrogenation to methanol. Journal of Catalysis 343 , pp. 133-146. 10.1016/j.jcat.2016.03.017

Baker, Anna B, Wass, Duncan F

and Trask, Richard S 2016. 4D sequential actuation: combining ionoprinting and redox chemistry in hydrogels. Smart Materials and Structures 25 (10) , 10LT02. 10.1088/0964-1726/25/10/10LT02

Bazzicalupi, Carla, Ferraroni, Marta, Papi, Francesco, Massai, Lara, Bertrand, Benoît, Messori, Luigi, Gratteri, Paola and Casini, Angela

2016. Determinants for tight and selective binding of a medicinal dicarbene gold(I) complex to a telomeric DNA G-quadruplex: a joint ESI MS and XRD investigation. Angewandte Chemie International Edition 55 (13) , pp. 4256-4259. 10.1002/anie.201511999

Bennett, Stacey D., Pope, Simon J. A.

, Jenkins, Robert Leyshon and Ward, Benjamin D.

2016. Scandium complexes bearing bis(oxazolinylphenyl)amide ligands: an analysis of their reactivity, solution-state structures and photophysical properties. European Journal of Inorganic Chemistry 2016 (18) , pp. 2932-2941. 10.1002/ejic.201600223

Benson, Oguarabau, da Silva, Ivan, Argent, Stephen P., Cabot, Rafel, Savage, Mathew, Godfrey, Harry G. W., Yan, Yong, Parker, Stewart F., Manuel, Pascal, Lennox, Matthew J., Mitra, Tamoghna, Easun, Timothy

, Lewis, William, Blake, Alexander J., Besley, Elena, Yang, Sihai and Schröder, Martin 2016. Amides do not always work: observation of guest binding in an amide-functionalised porous host. Journal of the American Chemical Society 138 (45) , pp. 14828-14831. 10.1021/jacs.6b08059

Bersani, Marco, Gupta, Kalyani, Mishra, Abhishek Kumar, Lanza, Roberto, Taylor, S. F. Rebecca, Islam, Husn-Ubayda, Hollingsworth, Nathan, Hardacre, Christopher, De Leeuw, Nora H.

and Darr, Jawwad A. 2016. Combined EXAFS, XRD, DRIFTS, and DFT study of nano copper-based catalysts for CO2 Hydrogenation. ACS Catalysis 6 (9) , pp. 5823-5833. 10.1021/acscatal.6b01529

Beyer, Adrian N., Richardson, Jeremy O., Knowles, Peter J.

, Rommel, Judith and Althorpe, Stuart C. 2016. Quantum tunneling rates of gas-phase reactions from on-the-fly instanton calculations. Journal of Physical Chemistry Letters 7 (21) , pp. 4374-4379. 10.1021/acs.jpclett.6b02115

Bischoff, Felix, He, Yuanqin, Seufert, Knud, Stassen, Daphne, Bonifazi, Davide

, Barth, Johannes V. and Auwärter, Willi 2016. Tailoring large pores of porphyrin networks on Ag(111) by metal-organic coordination. Chemistry - a European Journal 22 (43) , pp. 15298-15306. 10.1002/chem.201602154

Bolimowski, P A, Wass, Duncan

and Bond, I P 2016. Assessment of microcapsule-catalyst particles healing system in high performance fibre reinforced polymer composite. Smart Materials and Structures 25 (8) , 084009. 10.1088/0964-1726/25/8/084009

Bolimowski, Patryk A., Bond, Ian P. and Wass, Duncan

2016. Robust synthesis of epoxy resin-filled microcapsules for application to self-healing materials. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 374 (2061) , 20150083. 10.1098/rsta.2015.0083

Bonifazi, Davide

, Đorđević, Luka, Marangoni, Tomas, De Leo, Federica, Papagiannouli, Irini, Aloukos, Panagiotis, Couris, Stelios, Pavoni, Eleonora, Monti, Fillippo, Armaroli, Nicola and Prato, Maurizio 2016. [60]Fullerene-porphyrin [n]pseudorotaxanes: self-assembly, photophysics and third-order NLO responses. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 18 , pp. 11858-11868. 10.1039/C5CP06055A

Bonsignore, Riccardo

, Notaro, Antonietta, Salvo, Anna Maria Pia, Spinello, Angelo, Fiasconaro, Giuseppe, Terenzi, Alessio, Giacalone, Francesco, Keppler, Bernhard K., Giuliano, Michela, Gruttadauria, Michelangelo and Barone, Giampaolo 2016. Dna‐binding and anticancer activity of pyrene‐imidazolium derivatives. ChemistrySelect 1 (21) , pp. 6755-6761. 10.1002/slct.201601502

Bonsignore, Riccardo

, Terenzi, Alessio, Spinello, Angelo, Martorana, Annamaria, Lauria, Antonino, Almerico, Anna Maria, Keppler, Bernhard K. and Barone, Giampaolo 2016. G-quadruplex vs. duplex-DNA binding of nickel(II) and zinc(II) Schiff base complexes. Journal of Inorganic Biochemistry 161 , pp. 115-121. 10.1016/j.jinorgbio.2016.05.010

Bosch-Navarro, Concha, Rourke, Jonathan P.

and Wilson, Neil R. 2016. Controlled electrochemical and electroless deposition of noble metal nanoparticles on graphene. RSC Advances 6 (77) , pp. 73790-73796. 10.1039/C6RA14836K

Bosch-Navarro, Concha, Perkins, Laura M., Kashtiban, Reza J., Rourke, Jonathan P.

, Shannon, Ian J. and Sloan, Jeremy 2016. Selective imaging of discrete polyoxometalate ions on graphene oxide under variable voltage conditions. ACS Nano 10 (1) , pp. 796-802. 10.1021/acsnano.5b05898

Bouché, Mathilde, Mordan, Michael, Kariuki, Benson

, Coles, Simon J., Christensen, Jeppe and Newman, Paul

2016. Mono- and dimeric complexes of an asymmetric heterotopic P,CNHC,pyr ligand. Dalton Trans. 10.1039/C6DT02476A

Bowker, Michael

2016. The role of precursor states in adsorption, surface reactions and catalysis. Topics in Catalysis 59 (8-9) , pp. 663-670. 10.1007/s11244-016-0538-6

Bowker, Michael

, Gibson, E. K., Silverwood, I. P. and Brookes, Catherine 2016. Methanol oxidation on Fe2O3 catalysts and the effects of surface Mo. Faraday Discussions 188 , pp. 387-398. 10.1039/C5FD00225G

Bowker, Michael

and Waugh, K. C. 2016. From surface science to catalysis: The importance of methoxy and formate species on Cu single crystals and industrial catalysts. Surface Science 650 , pp. 93-102. 10.1016/j.susc.2016.01.001

Brookes, Catherine, Bowker, Michael

, Gibson, Emma K., Gianolio, Diego, Mohammed, Khaled M.H., Parry, Stephen, Rogers, Scott M., Silverwood, Ian P. and Wells, Peter P. 2016. In situ spectroscopic investigations of MoOx/Fe2O3 catalysts for the selective oxidation of methanol. Catalysis Science and Technology 6 , pp. 722-730. 10.1039/C5CY01175B

Brookes, Catherine, Bowker, Michael

and Wells, Peter Bernard 2016. Catalysts for the selective oxidation of methanol. Catalysts 6 (7) , 92. 10.3390/catal6070092

Brown, Michael, Kumar, Ravi, Rehbein, Julia and Wirth, Thomas

2016. Enantioselective oxidative rearrangements with chiral hypervalent iodine reagents. Chemistry - a European Journal 22 (12) , pp. 4030-4035. 10.1002/chem.201504844

Browne, Duncan L.

, Ley, Steven V., Poh, Jian-Siang, Blakemore, David C., Meroni, Francesca, García-Ruiz, Cristina and Zuniga, Andrea 2016. Synthesis of trifluoromethylated isoxazoles and their elaboration through inter- and intra-molecular C-H arylation. Organic & Biomolecular Chemistry 14 (25) , pp. 5983-5991. 10.1039/C6OB00970K

Browne, Duncan L.

and Richardson, Paul 2016. Fluorination Approaches. Blakemore, D, Doyle, P, Fobian, Y and Thurston, D, eds. Synthetic Methods in Drug Discovery: Volume 2, Vol. 2. Synthetic Methods in Drug Discovery, Cambridge, UK: Royal Society of Chemistry, (10.1039/9781782627913-00263)

Buckeridge, J., Jevdokimovs, D., Catlow, Charles Richard

and Sokol, A. A. 2016. Bulk electronic, elastic, structural, and dielectric properties of the Weyl semimetal TaAs. Physical Review B 93 (12) , -. 10.1103/PhysRevB.93.125205

Buono, Carlo 2016. A DFT study of graphite supported catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Burt, Luke A., Bezzu, Caterina Grazia, McMonagle, Charlie J., Moggach, Stephen A. and McKeown, Neil B. 2016. A hindered subphthalocyanine that forms crystals with included aromatic solvent but will not play ball with C60. Journal of Porphyrins and Phthalocyanines 20 (08n11) , pp. 1034-1040. 10.1142/S1088424616500528

Burton, Lee A., Whittles, Thomas J., Hesp, David, Linhart, Wojciech M., Skelton, Jonathan M., Hou, Bo

, Webster, Richard F., O'Dowd, Graeme, Reece, Christian, Cherns, David, Fermin, David J., Veal, Tim D., Dhanak, Vin R. and Walsh, Aron 2016. Electronic and optical properties of single crystal SnS2: an earth-abundant disulfide photocatalyst. Journal of Materials Chemistry A 4 (4) , pp. 1312-1318. 10.1039/C5TA08214E

Cadi-Essadek, Abdelaziz, Roldan Martinez, Alberto

2016. Density functional theory study of the interaction of H2O, CO2 and CO with the ZrO2 (111), Ni/ZrO2 (111), YSZ (111) and Ni/YSZ (111) surfaces. Surface Science 653 , pp. 153-162. 10.1016/j.susc.2016.06.008

Cai, Sixiang, Hu, Hang, Li, Hongrui, Shi, Liyi and Zhang, Dengsong 2016. Design of multi-shell Fe2O3@MnOx@CNTs for the selective catalytic reduction of NO with NH3: improvement of catalytic activity and SO2 tolerance. Nanoscale 8 (6) , pp. 3588-3598. 10.1039/C5NR08701E

Callear, Samantha K., Silverwood, Ian P., Chutia, Arunabhiram, Catlow, Charles Richard

and Parker, Stewart F. 2016. The reaction of formic acid with RaneyTM copper. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 472 (2188) , -. 10.1098/rspa.2016.0126

Cantú Reinhard, Fabián G., Mala, Alhaji, Upadhyay, Pranav, Balan, G. Alex, Kumar, Devesh, Fornarini, Simonetta, Crestoni, Maria Elisa and de Visser, Sam P. 2016. A systematic account on aromatic hydroxylation by a cytochrome P450 model Compound I: A lw-pressure mass spectrometry and computational study. Chemistry - A European Journal 22 (51) , pp. 18608-18619. 10.1002/chem.201604361

Caravaca, A., Jones, Wilm, Hardacre, C. and Bowker, Michael

2016. H2 production by the photocatalytic reforming of cellulose and raw biomass using Ni, Pd, Pt and Au on titania. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Science 472 (2191) , 20160054. 10.1098/rspa.2016.0054

Carneiro, Paula F., Pinto, Maria do Carmo F. R., Marra, Roberta K. F., Campos, Vinícius R., Resende, Jackson Antônio L. C., Delarmelina, Maicon

, Carneiro, José Walkimar M., Lima, Emerson S., da Silva, Fernando de C. and Ferreira, Vitor F. 2016. Insight into and computational studies of the selective synthesis of 6H-Dibenzo[b,h]xanthenes. Journal of Organic Chemistry 81 (13) , pp. 5525-5537. 10.1021/acs.joc.6b00864

Carpenter, Barry K.

, Harvey, Jeremy N. and Orr-Ewing, Andrew J. 2016. The study of reactive intermediates in condensed phases. Journal of the American Chemical Society 138 (14) , pp. 4695-4705. 10.1021/jacs.6b01761

Carter, James, Althahban, Sultan, Nowicka, Ewa

, Freakley, Simon, Morgan, David John

, Shah, Parag, Golunski, Stanislaw

, Kiely, Christopher

2016. Synergy and anti-synergy between palladium and gold in nanoparticles dispersed on a reducible support. ACS Catalysis 6 (10) , pp. 6623-6633. 10.1021/acscatal.6b01275

Carter, James 2016. Gold catalysts for the low-temperature water-gas shift reaction. PhD Thesis, Cardiff University.

Item availability restricted.

Carter, Korey P., Thomas, Kara E., Pope, Simon J. A.

, Holmberg, Rebecca J., Butcher, Ray J., Murugesu, Muralee and Cahill, Christopher L. 2016. Supramolecular assembly of molecular rare-earth–3,5-dichlorobenzoic acid–2,2′:6′,2″-terpyridine materials: structural systematics, luminescence properties, and magnetic behavior. Inorganic Chemistry 55 (14) , pp. 6902-6915. 10.1021/acs.inorgchem.6b00408

Cascón, Oscar 2016. Novel protocols for the in vitro production of highly valuable sesquiterpenoids. PhD Thesis, Cardiff University.

Item availability restricted.

Castillo, Juan P., Sánchez-Rodríguez, Jorge E., Hyde, H. Clark, Zaelzer, Cristian A., Aguayo, Daniel, Sepúlveda, Romina V., Luk, Louis Y. P.

, Kent, Stephen B. H., Gonzalez-Nilo, Fernando D., Bezanilla, Francisco and Latorre, Ramón 2016. β1-subunit–induced structural rearrangements of the Ca2+- and voltage-activated K+ (BK) channel. Proceedings of the National Academy of Sciences 113 (23) , E3231-E3239. 10.1073/pnas.1606381113

Catlow, C. Richard A.

2016. Prediction of rate constants for catalytic reactions with chemical accuracy. Angewandte Chemie International Edition 55 (32) , pp. 9132-9133. 10.1002/anie.201603930

Catlow, C. Richard, Davidson, Matthew, Hardacre, Christopher and Hutchings, Graham John

2016. Catalysis making the world a better place. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 374 (2061) , 20150089. 10.1098/rsta.2015.0089

Catlow, Charles Richard A.

2016. Challenges in the structural science of materials. IUCrJ 3 (4) , pp. 226-227. 10.1107/S2052252516010022

Celorrio, Veronica, Dann, Ellie, Calvillo, Laura, Morgan, David John

, Hall, Simon and Fermin, David J. 2016. Oxygen reduction at carbon supported lanthanides: the role of the B-site. ChemElectroChem 3 (2) , pp. 283-291. 10.1002/celc.201500440

Chagas, Fernanda O., Ruzzini, Antonio C., Bacha, Larissa V., Samborskyy, Markyian, Conti, Raphael, Pessotti, Rita C., Gonzaga De Oliveira, Luciana, Clardy, Jon and Pupo, Monica T. 2016. Genome sequence of Streptomyces sp. Strain RTd22, an endophyte of the Mexican sunflower. Genome Announcements 4 (4) , e00693-16. 10.1128/genomeA.00693-16

Chapman, Andy M., Flynn, Stephanie R. and Wass, Duncan F.

2016. Unexpected formation of early late heterobimetallic complexes from transition metal frustrated Lewis pairs. Inorganic Chemistry 55 (3) , pp. 1017-1021. 10.1021/acs.inorgchem.5b01424

Chapman, Stephanie, Brookes, Catherine, Bowker, Michael

, Gibson, Emma K. and Wells, Peter P. 2016. Design and stabilisation of a high area iron molybdate surface for the selective oxidation of methanol to formaldehyde. Faraday Discussions 188 , pp. 115-129. 10.1039/C5FD00153F

Chaudhry, Faryal, Kariuki, Benson

and Knight, David William 2016. A new method for the synthesis of pyrazolidines. Tetrahedron Letters 57 (26) , pp. 2833-2837. 10.1016/j.tetlet.2016.05.011

Chechik, Victor, Carter, Emma

and Murphy, Damien

2016. Electron paramagnetic resonance. Oxford Chemistry Primers, Oxford: Oxford University Press.

Chen, Mengbin, Chou, Wayne K. W., Al-Lami, Naeemah, Faraldos, Juan, Allemann, Rudolf

, Cane, David E. and Christianson, David W. 2016. Probing the Role of Active Site Water in the Sesquiterpene Cyclization Reaction Catalyzed by Aristolochene Synthase. Biochemistry 55 (20) , pp. 2864-2874. 10.1021/acs.biochem.6b00343

Chen, Deyang, Chen, Zuhuang, He, Qian

, Clarkson, James D., Serrao, Claudy R., Yadav, Ajay K., Nowakowski, Mark E., Fan, Zhen, You, Long, Gao, Xingsen, Zeng, Dechang, Chen, Lang, Borisevich, Albina Y., Salahuddin, Sayeef, Liu, Jun-Ming and Bokor, Jeffrey 2016. Interface engineering of domain structures in BiFeO3 thin films. Nano Letters 17 (1) , pp. 486-493. 10.1021/acs.nanolett.6b04512

Chen, Yiqiang, babu, R. Prasath, Slater, Thomas J.A.

, Bai, Mingwen, Mitchell, Robert, Ciuca, Octav, Preuss, Michael and Haigh, Sarah J. 2016. An investigation of diffusion-mediated cyclic coarsening and reversal coarsening in an advanced Ni-based superalloy. Acta Materialia 110 , pp. 295-305. 10.1016/j.actamat.2016.02.067

Christie, J. K., Ainsworth, R. I. and de Leeuw, Nora

2016. Investigating structural features which control the dissolution of bioactive phosphate glasses: Beyond the network connectivity. Journal of Non-Crystalline Solids 432 (Part A) , pp. 31-34. 10.1016/j.jnoncrysol.2015.01.016

Chutia, Arunabhiram, Silverwood, Ian P., Farrow, Matthew R., Scanlon, David O., Wells, Peter P., Bowker, Michael

, Parker, Stewart F. and Catlow, Charles Richard

2016. Adsorption of formate species on Cu(h,k,l) low index surfaces. Surface Science 653 , pp. 45-54. 10.1016/j.susc.2016.05.002

Cirera, B., Dordevic, L., Otero, R., Gallego, J. M., Bonifazi, Davide

, Miranda, R. and Ecija, D. 2016. Dysprosium-carboxylate nanomeshes with tunable cavity size and assembly motif through ionic interactions. Chemical Communications- Royal Society of Chemistry 52 (75) , pp. 11227-11230. 10.1039/C6CC04874A

Citta, A., Scalcon, V., Göbel, P., Bertrand, B., Wenzel, Margot

, Folda, A., Rigobello, M. P., Meggers, E. and Casini, Angela

2016. Toward anticancer gold-based compounds targeting PARP-1: a new case study. RSC Advances 6 (82) , pp. 79147-79152. 10.1039/C6RA11606J

Collier, Thomas A., Nash, Anthony, Birch, Helen L. and De Leeuw, Nora

2016. Intra-molecular lysine-arginine derived advanced glycation end-product cross-linking in Type I collagen: A molecular dynamics simulation study. Biophysical Chemistry 218 , pp. 42-46. 10.1016/j.bpc.2016.09.003

Compagnoni, Matteo, Kondrat, Simon A., Chan-Thaw, Carine E., Morgan, David John

, Wang, Di, Prati, Laura, Villa, Alberto, Dimitratos, Nikolaos

and Rossetti, Ilenia 2016. Spectroscopic investigation of Titania-supported gold nanoparticles prepared by a modified deposition/precipitation method for the oxidation of CO. ChemCatChem 8 (12) , pp. 2136-2145. 10.1002/cctc.201600072

Constantinides, Christos, Berezin, Andrey, Zissimou, Georgia, Manoli, Maria, Leitus, Gregory and Koutentis, Panayiotis 2016. The suppression of Columnar π-Stacking in 3-Adamantyl-1-phenyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl. Molecules 21 (5) , 636. 10.3390/molecules21050636

Conte, M., Liu, X., Murphy, Damien Martin

, Whiston, K. and Hutchings, Graham John

2016. Insights into the reaction mechanism of cyclohexane oxidation catalysed by molybdenum blue nanorings. Catalysis Letters 146 (1) , pp. 126-135. 10.1007/s10562-015-1660-y

Coogan, M. P. and Platts, J. A.

2016. Blue rhenium tricarbonyl DPPZ complexes - low energy charge-transfer absorption at tissue-penetrating wavelengths. Chemical Communications 52 (84) , pp. 12498-12501. 10.1039/C6CC07125B

Corvaglia, V., Marega, R., De Leo, F., Michiels, C. and Bonifazi, Davide

2016. Unleashing cancer cells on surfaces exposing motogenic IGDQ peptides. Small 12 (3) , pp. 321-329. 10.1002/smll.201501963

Couzi, Michel, Guillaume, François, Harris, Kenneth David Maclean

, Palmer, Benjamin A., Christensen, Kirsten and Collins, Stephen P. 2016. The true structural periodicities and superspace group descriptions of the prototypical incommensurate composite materials: Alkane/urea inclusion compounds. Europhysics Letters 116 (5) , 56001. 10.1209/0295-5075/116/56001

Cox, Katrina, Kariuki, Benson

, Smyth, Alexander and Newman, Paul David

2016. N2S2 and N4S4 precursors to PS2 macrocycles and cyclic amidinium salts. Dalton Transactions 45 , pp. 8485-8493. 10.1039/C6DT00806B

Craco, L., Carara, S. S. and Leoni, Stefano

2016. Band narrowing and Mott localization in isotropically superstrained graphene. Physical Review B 94 (16) , 165168. 10.1103/PhysRevB.94.165168

Cretu, V., Postica, V., Mishra, A. K., Hoppe, M., Tiginyanu, I., Mishra, Y. K., Chow, L., de Leeuw, Nora H.

, Adelung, R. and Lupan, O. 2016. Synthesis, characterization and DFT studies of zinc-doped copper oxide nanocrystals for gas sensing applications. Journal of Materials Chemistry A 4 (17) , pp. 6527-6539. 10.1039/C6TA01355D

Crole, David Alexander, Freakley, Simon J., Edwards, Jennifer Kelly

2016. Direct synthesis of hydrogen peroxide in water at ambient temperature. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 472 (2190) , 20160156. 10.1098/rspa.2016.0156

Cuenca, Jerome Alexander

, Bugler, Keith, Taylor, Stuart H.

, Williams, Paul, Bauer, Johann and Porch, Adrian

2016. Study of the magnetite to maghemite transition using microwave permittivity and permeability measurements. Journal of Physics: Condensed Matter 28 (10) , 106002. 10.1088/0953-8984/28/10/106002

D'Agostino, Carmine, Feaviour, Mark R., Brett, Gemma Louise, Mitchell, Jonathan, York, Andrew P. E., Hutchings, Graham John

, Mantle, Mick D. and Gladden, Lynn F. 2016. Solvent inhibition in the liquid-phase catalytic oxidation of 1,4-butanediol: understanding the catalyst behaviour from NMR relaxation time measurements. Catalysis Science & Technology 6 (21) , pp. 7896-7901. 10.1039/C6CY01458E

da Graça, José P., Ueda, Tatiana E., Janegitz, Tatiani, Vieira, Simone S., Salvador, Mariana C., de Oliveira, Maria C.N., Zingaretti, Sonia M., Powers, Stephen J., Pickett, John

, Birkett, Michael A. and Hoffmann-Campo, Clara B. 2016. The natural plant stress elicitor cis-jasmone causes cultivar-dependent reduction in growth of the stink bug, Euschistus heros and associated changes in flavonoid concentrations in soybean, Glycine max. Phytochemistry 131 , pp. 84-91. 10.1016/j.phytochem.2016.08.013

Da Ros, Simoní, Jones, Matthew D., Mattia, Davide, Pinto, Jose C., Schwaab, Marcio, Noronha, Fabio B., Kondrat, Simon A., Clarke, Tomos J.

2016. Ethanol to 1,3-butadiene conversion by using ZrZn-containing MgO/SiO2 systems prepared by co-precipitation and effect of catalyst acidity modification. ChemCatChem 8 (14) , pp. 2376-2386. 10.1002/cctc.201600331

Da Vià, Luigi, Recchi, Carlo, Davies, Thomas E., Greeves, Nicholas and Lopez-Sanchez, Jose A. 2016. Visible‐light‐controlled oxidation of glucose using titania‐supported silver photocatalysts. ChemCatChem 8 (22) , pp. 3475-3483. 10.1002/cctc.201600775

Davies, Dafydd O. 2016. Catalytic wet air oxidation: developing a continuous process. PhD Thesis, Cardiff University.

Item availability restricted.

Davies, Catherine J., Miedziak, Peter J., Brett, Gemma L. and Hutchings, Graham J.

2016. Vinyl chloride monomer production catalysed by gold: a review. Chinese Journal of Catalysis 37 (10) , pp. 1600-1607. 10.1016/S1872-2067(16)62482-8

Davies, Philip Rosser

2016. On the role of water in heterogeneous catalysis: a tribute to Professor M. Wyn Roberts. Topics in Catalysis 59 (8) , pp. 671-677. 10.1007/s11244-016-0539-5

De Almeida, A.

, Martins, A. P., Mósca, A. F., Wijma, H. J., Prista, C., Soveral, G. and Casini, A.

2016. Exploring the gating mechanisms of aquaporin-3: new clues for the design of inhibitors? Molecular BioSystems 12 , pp. 1564-1573. 10.1039/C6MB00013D

de Oliveira Filho, Jaires Gomes, Sarria, André Lucio Franceschini, Ferreira, Lorena Lopes, Caulfield, John C., Powers, Stephen J., Pickett, John A.

, de León, Adalberto A. Pérez, Birkett, Michael A. and Borges, Lígia Miranda Ferreira 2016. Quantification of brown dog tick repellents, 2-hexanone and benzaldehyde, and release from tick-resistant beagles, Canis lupus familiaris. Journal of Chromatography B 1022 , pp. 64-69. 10.1016/j.jchromb.2016.03.014

Dean, Ryan 2016. Towards visible light switching of peptide-DNA and peptide-protein interactions. PhD Thesis, Cardiff University.
Item availability restricted.

Delarmelina, Maicon

, Ferreira, Glaucio B., Ferreira, Vitor F. and de M. Carneiro, José W. 2016. Vibrational spectroscopy of lapachol, α- and β-lapachone: Theoretical and experimental elucidation of the Raman and infrared spectra. Vibrational Spectroscopy 86 , pp. 311-323. 10.1016/j.vibspec.2016.08.009

Delforge, Arnaud, Georgiou, Irene, Kremer, Adrian, Wouters, Johan and Bonifazi, Davide

2016. Synthesis of tertiary enamides by Ag2CO3-promoted Pd-catalyzed alkenylation of acyclic secondary amides. Organic Letters 18 (19) , pp. 4844-4847. 10.1021/acs.orglett.6b02305

Delidovich, Irina, Hausoul, Peter J. C., Deng, Li, Pfützenreuter, Rebecca, Rose, Marcus and Palkovits, Regina 2016. Alternative monomers based on lignocellulose and their use for polymer production. Chemical Reviews 116 (3) , pp. 1540-1599. 10.1021/acs.chemrev.5b00354

Della Pia, A, Riello, M, Stassen, D, Jones, T.S., Bonifazi, Davide

, De Vita, A and Costantini, G 2016. Two-dimensional core-shell donor-acceptor assemblies at metal-organic interfaces promoted by surface-mediated charge transfer. Nanoscale 8 , pp. 19004-19013. 10.1039/C6NR06527A

Della Pia, Ada, Riello, Massimo, Lawrence, James, Stassen, Daphne, Jones, Tim S., Bonifazi, Davide

, De Vita, Alessandro and Costantini, Giovanni 2016. Two-dimensional ketone-driven metal-organic coordination on Cu(111). Chemistry - a European Journal 22 (24) , pp. 8105-8112. 10.1002/chem.201600368

Demiray, Melodi 2016. Exploring and mapping the functional chemical space of amorphadiene synthase with non-canonical farnesyl diphosphate analogues. PhD Thesis, Cardiff University.
Item availability restricted.

Dimitratos, Nikolaos

, Villa, Alberto, Chan-Thaw, Carine E., Hammond, Ceri

and Prati, Laura 2016. Valorisation of glycerol to fine chemicals and fuels. Al-Mergen, Hamid and Xiao, Tiancun, eds. Petrochemical Catalyst Materials, Processes, and Emerging Technologies, IGI, pp. 352-384. (10.4018/978-1-4666-9975-5.ch013)

Diwate, Kiran, Pawbake, Amit, Rondiya, Sachin, Kulkarni, Rupali, Waykar, Ravi, Jadhavar, Ashok, Rokade, Avinash, Funde, Adinath, Mohite, Kakasaheb, Shinde, Manish, Pathan, Habib, Devan, Rupesh and Jadkar, Sandesh 2016. Substrate temperature dependent studies on properties of chemical spray pyrolysis deposited CdS thin films for solar cell applications. Journal of Semiconductors 38 (2) , 023001. 10.1088/1674-4926/38/2/023001

Dlamini, Mbongiseni W., Coville, Neil J. and Scurrell, Michael S. 2016. Microwave treatment: a facile method for the solid state modification of potassium-promoted iron on silica Fischer-Tropsch catalysts. RSC Advances 6 (27) , pp. 22222-22231. 10.1039/C5RA26628A

Douris, Vassilis, Steinbach, Denise, Panteleri, Rafaela, Livadaras, Ioannis, Pickett, John Anthony

, Van Leeuwen, Thomas, Nauen, Ralf and Vontas, John 2016. Resistance mutation conserved between insects and mites unravels the benzoylurea insecticide mode of action on chitin biosynthesis. Proceedings of the National Academy of Sciences 113 (51) , pp. 14692-14697. 10.1073/pnas.1618258113

Douthwaite, John 2016. The selective oxidation of bio-derived platform chemicals over supported gold catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Driver, Mark Peter 2016. Synthesis and coordination chemistry of multidentate phosphine ligands. PhD Thesis, Cardiff University.
Item availability restricted.

Du, Jonathan J., Váradi, Linda, Williams, Peter A., Groundwater, Paul W., Overgaard, Jacob, Platts, James Alexis

and Hibbs, David E. 2016. An analysis of the experimental and theoretical charge density distributions of the piroxicam-saccharin co-crystal and its constituents. RSC Advances 6 (85) , pp. 81578-81590. 10.1039/C6RA10411H

Dummer, Nicholas

, Joyce, Liam, Ellicott, Harold and Jiang, Yijiao 2016. Surfactant controlled magnesium oxide synthesis for base catalysis. Catalysis Science & Technology 6 (6) , pp. 1903-1912. 10.1039/C5CY01107H

Dunleavy, Robert, Lu, Li, Kiely, Christopher J.

, McIntosh, Steven and Berger, Bryan W. 2016. Single-enzyme biomineralization of cadmium sulfide nanocrystals with controlled optical properties. Proceedings of the National Academy of Sciences 113 (19) , pp. 5275-5280. 10.1073/pnas.1523633113

Dzade, Nelson

2016. DFT-D2 Study of the Adsorption and Dissociation of Water on Clean and Oxygen-Covered {001} and {011} Surfaces of Mackinawite (FeS). Journal of Physical Chemistry C 120 (38) , pp. 21441-21450. 10.1021/acs.jpcc.6b06122

Dzade, Nelson

2016. DFT-D2 simulations of water adsorption and dissociation on the low-index surfaces of mackinawite (FeS). Journal of Chemical Physics 144 (17) , 174704. 10.1063/1.4947588

Dzade, Nelson

2016. Surface and shape modification of mackinawite (FeS) nanocrystals by cysteine adsorption: a first-principles DFT-D2 study. Physical Chemistry Chemical Physics 18 (47) , pp. 32007-32020. 10.1039/C6CP05913A

Easun, Timothy

, Moreau, Florian, Yan, Yong, Yang, Sihai and Schröder, Martin 2016. Structural and dynamic studies of substrate binding in porous metal-organic frameworks. Chemical Society Reviews 46 (1) , pp. 239-274. 10.1039/C6CS00603E

El-Hiti, Gamal A., Smith, Keith, Alshammari, Mohammed B., Ajarim, Mansour D. and Kariuki, Benson

2016. Crystal structure of tert-butyl 2-phenylethylcarbamate, C13H19NO2. Zeitschrift für Kristallographie - New Crystal Structures 231 (4) , pp. 1105-1107. 10.1515/ncrs-2016-0077

El-Hiti, Gamal A., Smith, Keith, Alshammari, Mohammed B., Alotaibi, Mohammad Hayal and Kariuki, Benson M. 2016. Crystal structure of 1,1-dimethyl-3-(2-phenylethyl)urea, C11H16N2O. Zeitschrift für Kristallographie - New Crystal Structures 231 (4) , pp. 1065-1066. 10.1515/ncrs-2016-0052

El-Hiti, Gamal A.

, Smith, Keith, Hegazy, Amany S., Alanazi, Saud A. and Kariuki, Benson M.

2016. Crystal structure of 3-tert-butyl-3-hydroxy-1,3-dihydro-2H-pyrrolo[3,2-c]pyridin-2-one, C11H14N2O2. Zeitschrift für Kristallographie - New Crystal Structures 231 (3) , pp. 809-810. 10.1515/ncrs-2015-0276

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Masmali, Ali M. and Kariuki, Benson

2016. Crystal structure of 3-tert-butyl-7-azadioxindole, C11H14N2O2. Zeitschrift f�stallographie - New Crystal Structures 231 (4) , pp. 1069-1070. 10.1515/ncrs-2016-0054

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany Saber, Alanazi, Saud A. and Kariuki, Benson

2016. Crystal structure of 2-(4-methoxyphenyl)-1,3-thiazolo[4,5-b]pyridine, C13H10N2OS. Zeitschrift für Kristallographie - New Crystal Structures 231 (4) , pp. 1067-1068. 10.1515/ncrs-2016-0053

El-Hiti, Gamal A

, Abdel-Wahab, Bakr F., Baashen, Mohammed, Hegazy, Amany S. and Kariuki, Benson

2016. Crystal structure of (Z)-4-((E)-(4-chlorobenzyli-dene)hydrazono)-1-p-tolylpyrrolidine-3-carbonitrile, C19H17ClN4. Zeitschrift für Kristallographie - New Crystal Structures 231 (4) , pp. 1109-1110. 10.1515/ncrs-2016-0079

El-Hiti, Gamal A

, Abdel-Wahab, Bakr F., Hegazy, Amany S., Ajarim, Mansour D. and Kariuki, Benson

2016. Crystal structure of 4-(benzofuran-2-yl)-2-(3-(4-fluorophenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-2-yl)thiazole, C28H20FN3OS. Zeitschrift für Kristallographie - New Crystal Structures 231 (4) , pp. 1171-1173. 10.1515/ncrs-2016-0113

Et-Tarhouni, Zaineb, Carter, Emma

, Griffiths, P. C., Mansour, O. T., King, S. M. and Paul, Alison

2016. Quantifying the micellar structure formed from hydrocarbon-fluorocarbon surfactants. Colloids and Surfaces A: Physiochemical and Engineering Aspects 492 , pp. 255-262. 10.1016/j.colsurfa.2015.12.015

Evans, Christopher D., Kondrat, Simon A., Smith, Paul J., Manning, Troy D., Miedziak, Peter J., Brett, Gemma L., Armstrong, Robert D., Bartley, Jonathan K.

, Rosseinsky, Matthew J. and Hutchings, Graham J.

2016. The preparation of large surface area lanthanum based perovskite supports for AuPt nanoparticles: tuning the glycerol oxidation reaction pathway by switching the perovskite B site. Faraday Discussions 188 , pp. 427-450. 10.1039/C5FD00187K

Fancello, Francesco, Petretto, Giacomo Luigi, Zara, Severino, Sanna, Maria Lina, Addis, Roberta, Maldini, Mariateresa, Foddai, Marzia, Rourke, Jonathan P.

, Chessa, Mario and Pintore, Giorgio 2016. Chemical characterization, antioxidant capacity and antimicrobial activity against food related microorganisms of Citrus limon var. pompia leaf essential oil. Food Science and Technology 69 , pp. 579-585. 10.1016/j.lwt.2016.02.018

Fang, Wenhao, Fan, Zhaoyu, Shi, Hui, Wang, Sheng, Shen, Wei, Xu, Hualong, Clacens, Jean-Marc, De Campo, Floryan, Liebens, Armin and Pera-Titus, Marc 2016. Aquivion®–carbon composites via hydrothermal carbonization: amphiphilic catalysts for solvent-free biphasic acetalization. Journal of Materials Chemistry A 4 (12) , pp. 4380-4385. 10.1039/C5TA09705C

Faponle, A. S, Quesne, Matthew and De Visser, S. P 2016. Origin of the regioselective fatty acid hydroxylation versus decarboxylation by a cytochrome P450 peroxygenase: What drives the reaction to biofuel production? Chemistry - a European Journal 22 (16) , pp. 5478-5483. 10.1002/chem.201600739

Faraldos, Juan, Grundy, Daniel, Cascon Salgado, Oscar, Leoni, Stefano, van der Kamp, Marc W and Allemann, Rudolf

2016. Enzymatic synthesis of natural (+)-aristolochene from a non-natural substrate. Chemical Communications 52 (97) , pp. 14027-14030. 10.1039/C6CC08164A

Farrow, M. R., Catlow, Charles Richard

, Sokol, A. A. and Woodley, S. M. 2016. Double bubble secondary building units used as a structural motif for enhanced electron-hole separation in solids. Materials Science in Semiconductor Processing 42 , p. 147. 10.1016/j.mssp.2015.08.023

Fefelov, V. F., Stishenko, P. V., Kutanov, V. M., Myshlyavtsev, A. V. and Myshlyavtseva, M. D. 2016. Monte Carlo study of adsorption of additive gas mixture. Adsorption 22 (4-6) , 673–680. 10.1007/s10450-015-9753-x

Feitosa, Leon F., Berhault, Gilles, Laurenti, Dorothée, Davies, Thomas E. and Teixeira da Silva, Victor 2016. Synthesis and hydrodeoxygenation activity of Ni2P/C – Effect of the palladium salt on lowering the nickel phosphide synthesis temperature. Journal of Catalysis 340 , pp. 154-165. 10.1016/j.jcat.2016.05.016

Fischer, Nico, Manyar, Haresh G. and Roldan Martinez, Alberto

2016. Highlights from Faraday discussion: designing new heterogeneous catalysts, London, UK, April 2016. Chemical Communications 52 (54) , pp. 8335-8341. 10.1039/C6CC90273A

Flynn, Stephanie R., Metters, Owen J., Manners, Ian and Wass, Duncan

2016. Zirconium-catalyzed imine hydrogenation via a frustrated Lewis pair mechanism. Organometallics 35 (6) , pp. 847-850. 10.1021/acs.organomet.6b00027

Folli, Andrea

, Bloh, J.Z. and Macphee, D.E. 2016. Band structure and charge carrier dynamics in (W,N)-codoped TiO 2 resolved by electrochemical impedance spectroscopy combined with UV–vis and EPR spectroscopies. Journal of Electroanalytical Chemistry 780 , pp. 367-372. 10.1016/j.jelechem.2015.10.033

Freakley, Simon J., He, Qian

, Harrhy, Jonathan H., Lu, Li, Crole, David A., Morgan, David J.

, Ntainjua, Edwin N., Edwards, Jennifer K.

, Carley, Albert F., Borisevich, Albina Y., Kiely, Christopher J.

2016. Palladium-tin catalysts for the direct synthesis of H2O2 with high selectivity. Science 351 (6276) , pp. 965-968. 10.1126/science.aad5705

Ftouni, Jamal, Muñoz-Murillo, Ara, Goryachev, Andrey, Hofmann, Jan P., Hensen, Emiel J. M., Lu, Li, Kiely, Christopher J.

, Bruijnincx, Pieter C. A. and Weckhuysen, Bert M. 2016. ZrO2 is preferred over TiO2 as support for the Ru-Catalyzed hydrogenation of levulinic acid to γ-Valerolactone. ACS Catalysis 6 (8) , pp. 5462-5472. 10.1021/acscatal.6b00730

Gabbiani, Chiara, Pratesi, Alessandro, Marchetti, Lorella, Casini, Angela

, Leoni, Piero, Pillozzi, Serena, Crociani, Olivia, Bartoli, Gianluca and Messori, Luigi 2016. Potent in vitro antiproliferative properties for a triplatinum cluster toward triple negative breast cancer cells. Journal of Inorganic Biochemistry 163 , pp. 318-322. 10.1016/j.jinorgbio.2016.06.024

Galvanin, Federico, Al-Rifai, Noor, Cao, Enhong, Sankar, Meenakshisundaram, Hutchings, Graham J.

, Gavriilidis, Asterios and Dua, Vivek 2016. Merging information from batch and continuous flow experiments for the identification of kinetic models of benzyl alcohol oxidation over Au-Pd catalyst. Computer Aided Chemical Engineering 38 , pp. 961-966. 10.1016/B978-0-444-63428-3.50165-X

Gandarias, Inaki, Nowicka, Ewa

, May, Blake J., Alghareed, Shaimaa, Armstrong, Robert D., Miedziak, Peter John and Taylor, Stuart H.

2016. The selective oxidation of n-butanol to butyraldehyde by oxygen using stable Pt-based nanoparticulate catalysts: an efficient route for upgrading aqueous biobutanol. Catalysis Science & Technology 6 (12) , pp. 4201-4209. 10.1039/C5CY01726B

Gavriilidis, Asterios, Constantinou, Achilleas, Hellgardt, Klaus, Hii, King Kuok (Mimi), Hutchings, Graham

, Brett, Gemma, Kuhn, Simon and Marsden, Stephen P. 2016. Aerobic oxidations in flow: opportunities for the fine chemicals and pharmaceuticals industries. Reaction Chemistry and Engineering 1 (6) , pp. 595-612. 10.1039/C6RE00155F

Ghafoor, Abdul, Aslam, Noreen, Elliott, Mark Christopher

, Sajid, Naveed, Nasrullah, Muhammad, Ashraf, Muhammad, Ain, Qurat-ul- and Khan, Misbahul Ain 2016. Synthesis, characterization and biological evaluation of some new oxino bis-pyrazole derivatives. Asian Journal of Chemistry 28 (8) , pp. 1648-1652. 10.14233/ajchem.2016.19736

Gonzalez, Veronica, Grundy, Daniel J., Faraldos, Juan A. and Allemann, Rudolf Konrad

2016. The amino-terminal segment in the β-domain of δ-cadinene synthase is essential for catalysis. Organic & Biomolecular Chemistry 14 (31) , pp. 7451-7454. 10.1039/C6OB01398H

Gould, Anna L., Rossi, Kevin, Catlow, C. Richard A.

, Baletto, Francesca and Logsdail, Andrew J.

2016. Controlling structural transitions in AuAg nanoparticles through precise compositional design. Journal of Physical Chemistry Letters 7 (21) , pp. 4414-4419. 10.1021/acs.jpclett.6b02181

Groen, Simon C., Jiang, Sanjie, Murphy, Alex M., Cunniffe, Nik J., Westwood, Jack H., Davey, Matthew P., Bruce, Toby J. A., Caulfield, John C., Furzer, Oliver J., Reed, Alison, Robinson, Sophie I., Miller, Elizabeth, Davis, Christopher N., Pickett, John

, Whitney, Heather M., Glover, Beverley J. and Carr, John P. 2016. Virus infection of plants alters pollinator preference: A payback for susceptible hosts? PLoS Pathogens 12 (8) , e1005790. 10.1371/journal.ppat.1005790

Grundy, Daniel J., Chen, Mengbin, Gonzalez, Veronica, Leoni, Stefano

, Miller, David James, Christianson, David W. and Allemann, Rudolf Konrad

2016. Mechanism of germacradien-4-ol synthase controlled water capture. Biochemistry 55 (14) , pp. 2112-2121. 10.1021/acs.biochem.6b00115

Guan, Shaoliang, Donovan-Sheppard, Oliver, Reece, Christian, Willock, David J.

, Wain, Andrew J. and Attard, Gary A. 2016. Structure sensitivity in catalytic hydrogenation at platinum surfaces measured by shell-isolated nanoparticle enhanced Raman spectroscopy (SHINERS). ACS Catalysis 6 (3) , pp. 1822-1832. 10.1021/acscatal.5b02872

Hahn, Lena, Buurma, Niklaas J.

and Gade, Lutz H. 2016. A water-soluble tetraazaperopyrene dye as strong G-quadruplex DNA binder. Chemistry - A European Journal 22 (18) , pp. 6314-6322. 10.1002/chem.201504934

Hallett, Andrew J., O'Brien, Thomas, Carter, Emma

and Ward, Benjamin David

2016. Copper(II) complexes of pyridine-oxazoline (Pyox) ligands: coordination chemistry, ligand stability, and catalysis. Inorganica Chimica Acta 441 , pp. 86-94. 10.1016/j.ica.2015.10.032

Hao, B., Caulfield, J.C., Hamilton, M.L., Pickett, John

, Midega, C.A.O., Khan, Z.R., Wang, J. and Hooper, A.M. 2016. Biosynthesis of natural and novel C-glycosylflavones utilising recombinant Oryza sativa C-glycosyltransferase (OsCGT) and Desmodium incanum root proteins. Phytochemistry 125 , pp. 73-87. 10.1016/j.phytochem.2016.02.013

Hardisty, Alex R.

, Bacall, Finn, Beard, Niall, Balcázar‑Vargas, Maria-Paula, Balech, Bachir, Barcza, Zoltán, Bourlat, Sarah J., De Giovanni, Renato, de Jong, Yde, De Leo, Francesca, Dobor, Laura, Donvito, Giacinto, Fellows, Donal, Fernandez Guerra, Antonio, Ferreira, Nuno, Fetyukova, Yuliya, Fosso, Bruno, Giddy, Jonathan, Goble, Carole, Guntsch, Anton, Haines, Robert, Hernandez Ernst, Vera, Hettling, Hannes, Hiddy, Dora, Horvath, Ferenc, Ittzes, Dora, Ittzes, Peter, Jones, Andrew, Kottmann, Renzo, Kulawik, Robert, Leidenberger, Sonja, Lyytikäinen‑Saarenmaa, Paivi, Mathew, Cherian, Morrison, Norman, Nenadic, Aleksandra, Nieva De La Hidalga, Abraham

, Obst, Matthias, Oostermeijer, Gerard, Paymal, Elisabeth, Pesole, Graziano, Pinto, Salvatore, Poigne, Axel, Quevedo Fernandez, Francisco, Santamaria, Monica, Saarenmaa, Hannu, Sipos, Gergely, Sylla, Karl-Heinz, Tahtinen, Marko, Vicario, Saverio, Aldo Vos, Rutger, Williams, Alan R. and Yilmaz, Pelin 2016. BioVeL: A virtual laboratory for data analysis and modelling in biodiversity science and ecology. BMC Ecology 16 , 49. 10.1186/s12898-016-0103-y

Harris, Kenneth David Maclean

2016. New in situ solid-state NMR strategies for exploring materials formation and adsorption processes: prospects in heterogenous catalysis. Applied Petrochemical Research 6 (3) , pp. 295-306. 10.1007/s13203-016-0152-3

Hartnett, Patrick E., Margulies, Eric A., Mauck, Catherine M., Miller, Stephen A., Wu, Yilei, Wu, Yi-Lin

, Marks, Tobin J. and Wasielewski, Michael R. 2016. Effects of crystal morphology on singlet exciton fission in diketopyrrolopyrrole thin films. Journal of Physical Chemistry B 120 (7) , pp. 1357-1366. 10.1021/acs.jpcb.5b10565

Hasan, A. O., Abu-jrai, A., Turner, D., Tsolakis, A., Xu, H.M., Golunski, Stanislaw E.

and Herreros, J. M. 2016. Control of harmful hydrocarbon species in the exhaust of modern advanced GDI engines. Atmospheric Environment 129 , pp. 210-217. 10.1016/j.atmosenv.2016.01.033

Hassemer, Marla J., Sant?Ana, Josué, Borges, Miguel, Withall, David, Pickett, John

, de Oliveira, Márcio W. M., Laumann, Raul A., Birkett, Michael A. and Blassioli-Moraes, Maria C. 2016. Revisiting the male-produced aggregation pheromone of the lesser mealworm, Alphitobius diaperinus (Coleoptera, Tenebrionidae): identification of a six-component pheromone from a Brazilian population. Journal of Agricultural and Food Chemistry 64 (36) , pp. 6809-6818. 10.1021/acs.jafc.6b02235

Hatcher, Lauren E.

2016. Raising the (metastable) bar: 100% photo-switching in [Pd(Bu4dien)(η1-O2)]+ approaches ambient temperature. CrystEngComm 18 (22) , pp. 4180-4187. 10.1039/C5CE02434J

He, Qian

, Freakley, Simon J., Edwards, Jennifer K.

, Carley, Albert F., Borisevich, Albina Y., Mineo, Yuki, Haruta, Masatake, Hutchings, Graham J.

and Kiely, Christopher J.

2016. Population and hierarchy of active species in gold iron oxide catalysts for carbon monoxide oxidation. Nature Communications 7 , 12905. 10.1038/ncomms12905

Hemingway, Janet, Ranson, Hilary, Magill, Alan, Kolaczinski, Jan, Fornadel, Christen, Gimnig, John, Coetzee, Maureen, Simard, Frederic, Roch, Dabiré K, Hinzoumbe, Clément Kerah, Pickett, John

, Schellenberg, David, Gething, Peter, Hoppé, Mark and Hamon, Nicholas 2016. Averting a malaria disaster: will insecticide resistance derail malaria control? Lancet 387 (10029) , pp. 1785-1788. 10.1016/S0140-6736(15)00417-1

Hendon, Christopher H., Pradaux-Caggiano, Fabienne, Hatcher, Lauren E.

, Gee, William J., Wilson, Chick C., Butler, Keith T., Carbery, David R., Walsh, Aron and Melot, Brent C. 2016. Magnetic coupling in a hybrid Mn(ii) acetylene dicarboxylate. Physical Chemistry Chemical Physics 18 (48) 10.1039/C6CP06886C

Henley, Alice, Lennox, Matthew J., Easun, Timothy

, Moreau, Florian, Schröder, Martin and Besley, Elena 2016. Computational evaluation of the impact of incorporated nitrogen and oxygen heteroatoms on the affinity of polyaromatic ligands for carbon dioxide and methane in metal-organic frameworks. Journal of Physical Chemistry C 120 (48) , pp. 27342-27348. 10.1021/acs.jpcc.6b08767

Hernández Cede˜no, G., Silva-Rodrigo, R., Guevara-Lara, A., Melo-Banda, J.A., Reyes de laTorre, A.I., Morteo-Flores, F. and Castillo-Mares, A. 2016. Role of the Si/Al molar ratio and pH in NIW/MCM41-Al2O3 catalysts for HDS of DBT. Catalysis Today 271 , pp. 64-79. 10.1016/j.cattod.2015.10.024

Hernandez-Tamargo, Carlos E., Roldan Martinez, Alberto

2016. A density functional theory study of the structure of pure-silica and aluminium-substituted MFI nanosheets. Journal of Solid State Chemistry 237 , pp. 192-203. 10.1016/j.jssc.2016.02.006

Hernandez-Tamargo, Carlos E., Roldan Martinez, Alberto

2016. DFT modeling of the adsorption of trimethylphosphine oxide at the internal and external surfaces of zeolite MFI. Journal of Physical Chemistry C 120 (34) , pp. 19097-19106. 10.1021/acs.jpcc.6b03448

Hester, Peter, Xu, Shaojun, Liang, Wei, Al-Janabi, Nadeen, Vakili, Reza, Hill, Patrick, Muryn, Christopher A., Chen, Xiaobo, Martin, Philip A. and Fan, Xiaolei 2016. On thermal stability and catalytic reactivity of Zr-based metal–organic framework (UiO-67) encapsulated Pt catalysts. Journal of Catalysis 340 , pp. 85-94. 10.1016/j.jcat.2016.05.003

Hill, Stephen A., Benito-Alifonso, David., Morgan, David John

, Davis, Sean A., Berry, Monica and Galan, M. Carmen 2016. Three-minute synthesis of sp3 nanocrystalline carbon dots as non-toxic fluorescent platforms for intracellular delivery. Nanoscale 8 (44) , pp. 18630-18634. 10.1039/C6NR07336K

Hopper, H.A., Le, J., Cheng, J., Weller, T., Marschall, R., Bloh, J.Z., Macphee, D.E., Folli, A.

and Mclaughlin, A.C. 2016. An investigation of the optical properties and water splitting potential of the coloured metallic perovskites Sr1−xBaxMoO3. Journal of Solid State Chemistry 234 , pp. 87-92. 10.1016/j.jssc.2015.12.002

Howard, Joseph L., Schotten, Christiane, Alston, Stephen T. and Browne, Duncan L.

2016. Preparation of difluoromethylthioethers through difluoromethylation of disulfides using TMS-CF2H. Chemical Communications 52 , pp. 8448-8451. 10.1039/C6CC02693A

Hu, Hang, Zha, Kaiwen, Li, Hongrui, Shi, Liyi and Zhang, Dengsong 2016. In situ DRIFTs investigation of the reaction mechanism over MnOx-MOy/Ce0.75Zr0.25O2 (M = Fe, Co, Ni, Cu) for the selective catalytic reduction of NOx with NH3. Applied Surface Science 387 , pp. 921-928. 10.1016/j.apsusc.2016.07.022

Huang, Guan-Jhih, Harris, Michelle A., Krzyaniak, Matthew D., Margulies, Eric A., Dyar, Scott M., Lindquist, Rebecca J., Wu, Yilei, Roznyatovskiy, Vladimir V., Wu, Yi-Lin

, Young, Ryan M. and Wasielewski, Michael R. 2016. Photoinduced charge and energy transfer within meta- and para-linked chlorophyll a-perylene-3,4:9,10-bis(dicarboximide) donor-acceptor dyads. Journal of Physical Chemistry B 120 (4) , pp. 756-765. 10.1021/acs.jpcb.5b10806

Hughes, Colan Evan and Harris, Kenneth David Maclean

2016. Calculation of solid-state NMR Lineshapes using contour analysis. Solid State Nuclear Magnetic Resonance 80 , pp. 7-13. 10.1016/j.ssnmr.2016.10.002

Hunter, Katherine 2016. Fundamental studies of electrochemical oxide formation on platinum single crystal electrodes. PhD Thesis, Cardiff University.

Item availability restricted.

Hutchings, Matthew 2016. Novel process windows: reactions using tricky reagents. PhD Thesis, Cardiff University.
Item availability restricted.

Hutchings, Graham John

2016. Methane activation by selective oxidation. Topics in Catalysis 59 (8-9) , pp. 658-662. 10.1007/s11244-016-0542-x

Hutchings, Graham John

, Catlow, Charles Richard

, Hardacre, Christopher and Davidson, Matthew G. 2016. Catalysis making the world a better place: satellite meeting. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 374 (2061) , -. 10.1098/rsta.2015.0358

Hutchings, Matthew and Wirth, Thomas

2016. Safe use of nitromethane for aldol reactions in flow. Journal of Flow Chemistry 6 (3) , pp. 202-205. 10.1556/1846.2016.00022

Iqbal, S, Davies, T. E., Morgan, D. J.

, Karim, K., Hayward, J. S., Bartley, J. K.

, Taylor, S. H.

and Hutchings, G. J.

2016. Fischer Tropsch synthesis using cobalt based carbon catalysts. Catalysis Today 275 , pp. 35-39. 10.1016/j.cattod.2015.09.041

Iqbal, Sarwat, Davies, Thomas, Hayward, James, Morgan, David John

, Karim, Khalid, Bartley, Jonathan Keith

2016. Fischer Tropsch Synthesis using promoted cobalt-based catalysts. Catalysis Today 272 , pp. 74-79. 10.1016/j.cattod.2016.04.012

Jadhavar, Ashok, Pawbake, Amit, Waykar, Ravindra, Waman, Vaishali, Rondiya, Sachin, Shinde, Omkar, Kulkarni, Rupali, Rokade, Avinash, Bhorde, Ajinkya, Funde, Adinath, Patil, Dinkar, Pathan, Habib and Jadkar, Sandesh 2016. Influence of RF power on structural optical and electrical properties of hydrogenated nano-crystalline silicon (nc-Si:H) thin films deposited by PE-CVD. Journal of Materials Science: Materials in Electronics 27 (12) , pp. 12365-12373. 10.1007/s10854-016-5024-1

Jain, Mukesh, Srivastava, Prabhakar Lal

, Verma, Mohit, Ghangal, Rajesh and Garg, Rohini 2016. De novo transcriptome assembly and comprehensive expression profiling in Crocus sativus to gain insights into apocarotenoid biosynthesis. Scientific Reports 6 (1) , 22456. 10.1038/srep22456

Jana, Atanu, Crowston, Bethany J., Shewring, Jonathan R., McKenzie, Luke K., Bryant, Helen E., Botchway, Stanley W., Ward, Andrew D., Amoroso, Angelo J.

, Baggaley, Elizabeth and Ward, Michael D. 2016. Heteronuclear Ir(III)–Ln(III) luminescent complexes: small-molecule probes for dual modal imaging and oxygen sensing. Inorganic Chemistry 55 (11) , pp. 5623-5633. 10.1021/acs.inorgchem.6b00702

Jiménez, Juan-Ramón, Díaz-Ortega, Ismael F., Ruiz, Eliseo, Aravena, Daniel, Pope, Simon J A

, Colacio, Enrique and Herrera, Juan Manuel 2016. Frontispiece: Lanthanide tetrazolate complexes combining single-molecule magnet and luminescence properties: The effect of the replacement of tetrazolate N3 by β-Diketonate Ligands on the anisotropy energy barrier. Chemistry - a European Journal 22 (41) 10.1002/chem.201684162

Jiménez, Juan-Ramón, Díaz-Ortega, Ismael F., Ruiz, Eliseo, Aravena, Daniel, Pope, Simon J. A.

, Colacio, Enrique and Herrera, Juan Manuel 2016. Lanthanide tetrazolate complexes combining single-molecule magnet and luminescence properties: the effect of the replacement of tetrazolate n3 by β-diketonate ligands on the anisotropy energy barrier. Chemistry - A European Journal 22 (41) , pp. 14548-14559. 10.1002/chem.201601457

Jin, Yi

, Molt Jr, Robert W., Waltho, Jonathan P., Richards, Nigel G. J.

and Blackburn, G. Michael 2016. 19F NMR and DFT analysis reveal structural and electronic transition state features for RhoA-catalyzed GTP hydrolysis. Angewandte Chemie International Edition 55 (10) , pp. 3318-3322. 10.1002/anie.201509477

Jin, Yi

, Petricevic, Marija, John, Alan, Raich, Lluís, Jenkins, Huw, Portela De Souza, Leticia, Cuskin, Fiona, Gilbert, Harry J., Rovira, Carme, Goddard-Borger, Ethan D., Williams, Spencer J. and Davies, Gideon J. 2016. A β-mannanase with a lysozyme-like fold and a novel molecular catalytic mechanism. ACS Central Science 2 (12) , pp. 896-903. 10.1021/acscentsci.6b00232

Jing, F., Katryniok, B., Araque, M., Wojcieszak, R., Capron, M., Paul, S., Daturi, M., Clacens, J.-M., De Campo, F., Liebens, A., Dumeignil, F. and Pera-Titus, M. 2016. Direct dehydration of 1,3-butanediol into butadiene over aluminosilicate catalysts. Catalysis Science and Technology 6 (15) , pp. 5830-5840. 10.1039/C5CY02211H

Jones, Daniel, Iqbal, Sarwat, Ishikawa, Satoshi, Reece, Christian, Thomas, Liam, Miedziak, Peter, Morgan, David

, Edwards, Jennifer

, Bartley, Jonathan

2016. The conversion of levulinic acid into γ-valerolactone using Cu/ZrO2catalysts. Catalysis Science & Technology 6 (15) , pp. 6022-6030. 10.1039/C6CY00382F

Jones, Daniel R. 2016. Using supported metal nanoparticles for the conversion of biomass derived molecules. PhD Thesis, Cardiff University.

Item availability restricted.

Jones, Wilm Vincent 2016. Photocatalytic hydrogen production with supported Au and Au-alloy nanoparticles. PhD Thesis, Cardiff University.

Item availability restricted.

Jones, Nathan, Lourenço, Sérgio D.N. and Paul, Alison

2016. Testing surfactants as additives for clay improvement: compaction and suction effects. E3S Web of Conferences 9 , 13006. 10.1051/e3sconf/20160913006

Kaiser, Felix, Schmidt, Andrea, Heydenreuter, Wolfgang, Altmann, Philipp Johannes, Casini, Angela

, Sieber, Stephan A. and Kühn, Fritz Elmar 2016. Self-assembled palladium and platinum coordination cages: Photophysical studies and anticancer activity. European Journal of Inorganic Chemistry 2016 (33) , pp. 5189-5196. 10.1002/ejic.201600811

Kalia, Priya, Brooks, Roger A., Kinrade, Stephen D., Morgan, David John

, Brown, Andrew P., Rushton, Neil and Jugdaohsingh, Ravin 2016. Adsorption of amorphous silica nanoparticles onto hydroxyapatite surfaces differentially alters surfaces properties and adhesion of human osteoblast cells. PLoS ONE 11 (2) , e0144780. 10.1371/journal.pone.0144780

Kandil, Sahar

, Wymant, Jennifer, Kariuki, Benson

, Jones, Arwyn Tomos

, McGuigan, Christopher

and Westwell, Andrew David

2016. Novel cis-selective and non-epimerisable C3 hydroxy azapodophyllotoxins targeting microtubules in cancer cells. European Journal of Medicinal Chemistry 110 , pp. 311-325. 10.1016/j.ejmech.2015.12.037

Kaposi, Tobias, Joshi, Sushobhan, Hoh, Tobias, Wiengarten, Alissa, Seufert, Knud, Paszkiewicz, Matheusz, Klappenberger, Florian, Ecija, David, Đorđević, Luka, Marangoni, Tomas, Bonifazi, Davide

, Barth, Johannes V. and Auwärter, Willi 2016. Supramolecular spangling, crocheting, and knitting of functionalized pyrene molecules on a silver surface. ACS Nano 10 (8) , pp. 7665-7674. 10.1021/acsnano.6b02989

Karmani, Linda, Levêque, Philippe, Bouzin, Caroline, Bol, Anne, Dieu, Marc, Walrand, Stephan, Vander Borght, Thierry, Feron, Olivier, Grégoire, Vincent, Bonifazi, Davide

, Michiels, Carine, Lucas, Stéphane and Gallez, Bernard 2016. Biodistribution of 125I-labeled anti-endoglin antibody using SPECT/CT imaging: Impact of in vivo deiodination on tumor accumulation in mice. Nuclear Medicine and Biology 43 (7) , pp. 415-423. 10.1016/j.nucmedbio.2016.03.007

Kellici, Suela, Acord, John, Vaughn, Arni, Power, Nicholas P., Morgan, David John

, Heil, Tobias, Facq, Sébastien P. and Lampronti, Giulio I. 2016. Calixarene assisted rapid synthesis of silver-graphene nanocomposites with enhanced antibacterial activity. ACS Applied Materials & Interfaces 8 (29) , pp. 19038-19046. 10.1021/acsami.6b06052

Kennedy, Julia

2016. Photocatalytic reforming for hydrogen production using metal/TiO2. PhD Thesis, Cardiff University.

Item availability restricted.

Khan, Asad Ahmad 2016. Oxidative dehydrogenation (ODH) of ethane to ethene over supported vanadium containing oxide catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Khan, Rais Ahmad, De Almeida, Andreia

, Al-Farhan, Khalid, Alsalme, Ali, Casini, Angela

, Ghazzali, Mohamed and Reedijk, Jan 2016. Transition-metal norharmane compounds as possible cytotoxic agents: new insights based on a coordination chemistry perspective. Journal of Inorganic Biochemistry 165 , pp. 128-135. 10.1016/j.jinorgbio.2016.07.001

Khan, Z. R., Midega, C. A. O., Pittchar, J. O., Murage, A. and Pickett, J.

2016. Climate-smart push-pull: a conservation agriculture technology for food security and environmental sustainability in Africa. Friedrich, Theodor, Mkomwa, Saidi and Kassam, Amir H., eds. Conservation agriculture for Africa: building resilient farming systems in a changing climate, CABI Publishing, pp. 151-166.

Khan, Zeyaur, Midega, Charles A. O., Hooper, Antony and Pickett, John

2016. Push-Pull: Chemical ecology-based integrated pest management technology. Journal of Chemical Ecology 42 (7) , pp. 689-697. 10.1007/s10886-016-0730-y

Khoj, Manal A. 2016. Investigation of solid materials and their transformation processes by X-ray and complementary analytical techniques. PhD Thesis, Cardiff University.
Item availability restricted.

King, Gavin Morgan 2016. The preparation of heterogeneous catalysts for the selective transformation of green chemicals and bio-renewables. PhD Thesis, Cardiff University.

Kondrat, Simon A., Smith, Paul J., Wells, Peter P., Chater, Philip A., Carter, James H., Morgan, David J.

, Fiordaliso, Elisabetta M., Wagner, Jakob B., Davies, Thomas E., Lu, Li, Bartley, Jonathan K.

, Spencer, Michael S., Kiely, Christopher J.

, Kelly, Gordon J., Park, Colin W., Rosseinsky, Matthew J. and Hutchings, Graham J.

2016. Stable amorphous georgeite as a precursor to a high-activity catalyst . Nature 531 , pp. 83-87. 10.1038/nature16935

Krap, C. P., Newby, R., Dhakshinamoorthy, A., Garcia, H., Cebula, I., Easun, Timothy

, Savage, M, Eyley, J. E., Gao, S., Blake, A. J., Lewis, W, Beton, P. H., Warren, M. R., Allan, D. R., Frogley, M. D., Tang, C. C., Cinque, G., Yang, S. and Schroder, M. 2016. Enhancement of CO2 adsorption and catalytic properties by Fe-doping of [Ga2(OH)2(L)] (H4L = Biphenyl-3,3′,5,5′-tetracarboxylic Acid), MFM-300(Ga2). Inorganic Chemistry -American Chemical Society- 55 (3) , pp. 1076-1088. 10.1021/acs.inorgchem.5b02108

Kremer, Adrian, Fermi, Andrea, Biot, Nicolas, Wouters, Johan and Bonifazi, Davide

2016. Supramolecular wiring of Benzo-1,3-chalcogenazoles through programmed chalcogen bonding interactions. Chemistry: A European Journal 22 (16) , pp. 5665-5675. 10.1002/chem.201504328

Kulkarni, R. R., Pawbake, A. S., Waykar, R. G., Rondiya, S. R., Jadhavar, A. A., Pandharkar, S. M., Karpe, S. D., Diwate, K. D. and Jadkar, S. R. 2016. Properties of RF sputtered cadmium telluride (CdTe) thin films: Influence of deposition pressure. Presented at: 2nd International Conference on Emerging Technologies: Micro to Nano 2015 (ETMN-2015), Rajasthan, India, 24-25 October 2015. 2ND INTERNATIONAL CONFERENCE ON EMERGING TECHNOLOGIES: MICRO TO NANO 2015 (ETMN-2015): Contributory papers presented in 2nd International Conference on Emerging Technologies: Micro to Nano 2015. AIP Conference Proceedings. AIP Conference Proceedings , vol.1724 (1) AIP Publishing, 10.1063/1.4945208

Kulkarni, Rupali, Pawbake, Amit, Waykar, Ravindra, Jadhavar, Ashok, Rokade, Avinash, Rondiya, Sachin, Karpe, Smita, Diwate, Kiran, Funde, Adinath, Sharma, Vidhika, Lonkar, Ganesh and Jadkar, Sandesh 2016. Substrate temperature dependent structural, optical, morphology and electrical properties of RF sputtered CdTe thin films for solar cell application. Journal of Materials Science: Materials in Electronics 27 (12) , pp. 12405-12411. 10.1007/s10854-016-5149-2

Kumar, Amit, Khan, Abdullah, Malhotra, Shashwat, Mosurkal, Ravi, Dhawan, Ashish, Pandey, Mukesh K., Singh, Brajendra K., Kumar, Rajesh, Prasad, Ashok K., Sharma, Sunil K., Samuelson, Lynne A., Cholli, Ashok L., Len, Christophe, Richards, Nigel G.J.

, Kumar, Jayant, Haag, Rainer, Watterson, Arthur C. and Parmar, Virinder S. 2016. Synthesis of macromolecular systems via lipase catalyzed biocatalytic reactions: applications and future perspectives. Chemical Society Reviews 45 (24) , pp. 6855-6887. 10.1039/C6CS00147E

Kumar, Prashant, Singh, Anil K., Bahadur, Vijay, Len, Christophe, Richards, Nigel G. J.

, Parmar, Virinder S., Van der Eycken, Erik V. and Singh, Brajendra K. 2016. Microwave-assisted, metal-free, base-mediated C-N bond formation/cleavage: synthesis of benzimidazo[1,2-a]quinazoline derivatives. ACS Sustainable Chemistry & Engineering 4 (4) , pp. 2206-2210. 10.1021/acssuschemeng.5b01669

Kwan, David H., Jin, Yi

, Jiang, Jianbing, Chen, Hong-Ming, Kötzler, Miriam P., Overkleeft, Herman S., Davies, Gideon J. and Withers, Stephen G. 2016. Chemoenzymatic synthesis of 6-phospho-cyclophellitol as a novel probe of 6-phospho-β-glucosidases. FEBS Letters 590 (4) , pp. 461-468. 10.1002/1873-3468.12059

Laanait, Nouamane, Ziatdinov, Maxim, He, Qian

and Borisevich, Albina 2016. Identifying local structural states in atomic imaging by computer vision. Advanced Structural and Chemical Imaging 2 (1) , 14. 10.1186/s40679-016-0028-8

Lai, Felcia, Du, Jonathan J., Williams, Peter A., Váradi, Linda, Baker, Daniel, Groundwater, Paul W., Overgaard, Jacob, Platts, James Alexis

and Hibbs, David E. 2016. A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. Physical Chemistry Chemical Physics 18 (41) , pp. 28802-28818. 10.1039/C6CP02690G

Lam, Jolie, Gunther, Benjamin A. R., Farrell, Jeffrey M., Eisenberger, Patrick, Bestvater, Brian P., Newman, Paul D.

, Crudden, Cathleen M. and Stephan, Douglas W. 2016. Chiral carbene–borane adducts: precursors for borenium catalysts for asymmetric FLP hydrogenations. Dalton Transactions 45 (39) , pp. 15303-15316. 10.1039/C6DT02202B

Lamb, Anthony, Green, Rhys, Bateman, Ian, Broadmeadow, Mark, Bruce, Toby, Burney, Jennifer, Carey, Pete, Chadwick, David, Crane, Ellie, Field, Rob, Goulding, Keith, Griffiths, Howard, Hastings, Astley, Kasoar, Tim, Kindred, Daniel, Phalan, Ben, Pickett, John

, Smith, Pete, Wall, Eileen, zu Ermgassen, Erasmus K. H. J. and Balmford, Andrew 2016. The potential for land sparing to offset greenhouse gas emissions from agriculture. Nature Climate Change 6 , pp. 488-492. 10.1038/nclimate2910

Lauria, Antonino, Bonsignore, Riccardo

, Bartolotta, Roberta, Perricone, Ugo, Martorana, Annamaria and Gentile, Carla 2016. Drugs polypharmacology by in silico methods: New opportunities in drug discovery. Current Pharmaceutical Design 22 (21) , pp. 3073-3081. 10.2174/1381612822666160224142323

Lawson, James, Wilkins, Lewis, Andre, Manon, Richards, Emma, Ali, Mohammed, Platts, James A. and Melen, Rebecca

2016. Synthesis and reactivity of N,N’-1,4-diazabutadiene derived borocations. Dalton Transactions 45 (41) , pp. 16177-16181. 10.1039/C6DT03360A

Laybourn, Andrea, Katrib, Juliano, Palade, Paula A., Easun, Timothy

, Champness, Neil R., Schröder, Martin and Kingman, Samuel W. 2016. Understanding the electromagnetic interaction of metal organic framework reactants in aqueous solution at microwave frequencies. Physical Chemistry Chemical Physics 18 (7) , pp. 5419-5431. 10.1039/C5CP05426E

Lee, Du-Hyoung, Alam, Syed Fakhar, Lee, Hye-Rheon, Sharma, Pankaj

, Cho, Churl-Hee and Han, Moon-Hee 2016. Template-free hydrothermal synthesis of high phase purity mordenite zeolite particles using natural zeolite seed for zeolite membrane preparation. Membrane Journal 26 (5) , pp. 381-390. 10.14579/MEMBRANE_JOURNAL.2016.26.5.381

Lee, Michael, Bezzu, C. Grazia, Carta, Mariolino

, Bernardo, Paola, Clarizia, Gabriele, Jansen, Johannes C. and McKeown, Neil B. 2016. Enhancing the gas permeability of Tröger’s base derived polyimides of intrinsic microporosity. Macromolecules 49 (11) , pp. 4147-4154. 10.1021/acs.macromol.6b00351

Lewis, Richard J. 2016. The application of Cs-exchanged tungstophosphoric acid as an additive in the direct synthesis of hydrogen peroxide and the use of Au-Pd/TS-1 in a one-pot approach to cyclohexanone oxime production. PhD Thesis, Cardiff University.

Item availability restricted.

Li, Mingtao, Zhu, Wenshuai, Zhang, Pengfei, Chao, Yanhong, He, Qian

, Yang, Bolun, Li, Huaming, Borisevich, Albinab and Dai, Sheng 2016. Graphene-analogues boron nitride nanosheets confining ionic liquids: a high-performance quasi-liquid solid electrolyte. Small 12 (26) , pp. 3535-3542. 10.1002/smll.201600358

Li, Xiaoman, Wang, Wenzhong, Jiang, Dong, Sun, Songmei, Zhang, Ling and Sun, Xiang 2016. Efficient solar-driven nitrogen fixation over carbon-tungstic-acid hybrids. Chemistry : a European Journal. 22 (39) , pp. 13819-13822. 10.1002/chem.201603277

Liu, Xi, Conte, Marco, Elias, David, Lu, Li, Morgan, David John

, Freakley, Simon, Johnston, Peter, Kiely, Christopher J.

2016. Investigation of the active species in the carbon-supported gold catalyst for acetylene hydrochlorination. Catalysis Science & Technology 6 , pp. 5144-5153. 10.1039/C6CY00090H

Liu, Xi, Fabos, Victoria, Taylor, Stuart H.

, Knight, David William, Whiston, Keith and Hutchings, Graham John

2016. One-step production of 1,3-butadiene from 2,3-butanediol dehydration. Chemistry - a European Journal 22 (35) , pp. 12290-12294. 10.1002/chem.201602390

Logsdail, Andrew

, Downing, Christopher A., Keal, Thomas W., Sherwood, Paul, Sokol, Alexey A. and Catlow, Charles Richard

2016. Modelling the chemistry of Mn-doped MgO for bulk and (100) surfaces. Physical Chemistry Chemical Physics 18 (41) , pp. 28648-28660. 10.1039/C6CP04622C

Lomelí-Rodríguez, Mónica, Martín-Molina, Miguel, Jiménez-Pardo, María, Nasim-Afzal, Zahara, Cauët, Solène I., Davies, Thomas E., Rivera-Toledo, Martín and Lopez-Sanchez, Jose A. 2016. Synthesis and kinetic modeling of biomass-derived renewable polyesters. Journal of Polymer Science Part A: Polymer Chemistry 54 (18) , pp. 2876-2887. 10.1002/pola.28173

Loveridge, Edric Joel and Allemann, Rudolf Konrad

2016. Pinpointing dynamic coupling in enzymes for efficient drug design. Future Science OA 2 (1) 10.4155/fsoa.2015.0017

Lowe, Juliette A., Stacey, Oliver J., Horton, Peter N., Coles, Simon and Pope, Simon J. A.

2016. Alkyl chain functionalised, cyclometalated platinum(II) complexes: syntheses, luminescence properties and X-ray crystal structure. Journal of Organometallic Chemistry 805 , pp. 87-93. 10.1016/j.jorganchem.2016.01.015

Macarthur, K.E., Slater, T.J.A.

, Haigh, S.J., Ozkaya, D., Nellist, P.D. and Lozano-Perez, S. 2016. Compositional quantification of PtCo acid-leached fuel cell catalysts using EDX partial cross sections. Materials Science and Technology (United Kingdom) 32 (3) , pp. 248-253. 10.1080/02670836.2015.1133021

MacArthur, Katherine E., Slater, Thomas J. A.

, Haigh, Sarah J., Ozkaya, Dogan, Nellist, Peter D. and Lozano-Perez, Sergio 2016. Quantitative energy-dispersive X-Ray analysis of catalyst nanoparticles using a partial cross section approach. Microscopy and Microanalysis 22 (1) , pp. 71-81. 10.1017/s1431927615015494

Macphee, D. E. and Folli, Andrea

2016. Photocatalytic concretes - the interface between photocatalysis and cement chemistry. Cement and Concrete Research 85 , pp. 48-54. 10.1016/j.cemconres.2016.03.007

Magalhães, D. M., Borges, M., Laumann, R. A., Woodcock, C. M., Pickett, John

, Birkett, M. A. and Blassioli-Moraes, Maria Carolina 2016. Influence of two acyclic homoterpenes (Tetranorterpenes) on the foraging behavior of anthonomus grandis Boh. Journal of Chemical Ecology 42 (4) , pp. 305-313. 10.1007/s10886-016-0691-1

Mala, Alhaji and Sainna, Abba 2016. Catalyst and catalysis for Fischer-Tropsch synthesis: a comparative analysis of iron and cobalt catalysts on SBA-15. Journal of Thermodynamics & Catalysis 2 , pp. 1-8.

Maldini, Mariateresa, Chessa, Mario, Petretto, Giacomo L., Montoro, Paola, Rourke, Jonathan P.

, Foddai, Marzia, Nicoletti, Marcello and Pintore, Giorgio 2016. Profiling and simultaneous quantitative determination of anthocyanins in wild myrtus communisL. berries from different geographical areas in sardinia and their comparative evaluation. Phytochemical Analysis 27 (5) , pp. 249-256. 10.1002/pca.2623

Maldini, Mariateresa, Chessa, Mario, Petretto, Giacomo L., Montoro, Paolo, Rourke, Jonathan P.

, Foddai, Marzia, Nicoletti, Marcello and Pintore, Giorgio 2016. Profiling and simultaneous quantitativedetermination of anthocyanins in wild Myrtus communis L. berries from different geographical areas in Sardinia and their comparative evaluation. Phytochemical Analysis 27 (5) , pp. 249-256. 10.1002/pca.2623

Malmedy, Florence and Wirth, Thomas

2016. Frontispiece: stereoselective ketone rearrangements with hypervalent iodine reagents. Chemistry - a European Journal 22 (45) , pp. 16072-16077. 10.1002/chem.201684562

Malmedy, Florence 2016. Stereoselective transformations using chiral hypervalent iodine reagents. PhD Thesis, Cardiff University.

Item availability restricted.

Malmedy, Florence and Wirth, Thomas

2016. Stereoselective ketone rearrangements with hypervalent iodine reagents. Chemistry - a European Journal 22 (45) 10.1002/chem.201603022

Mancardi, Giulia, Terranova, Umberto and de Leeuw, Nora

2016. Calcium phosphate prenucleation complexes in water by means of ab initio molecular dynamics simulations. Crystal Growth & Design 16 (6) , pp. 3353-3358. 10.1021/acs.cgd.6b00327

Marega, Riccardo, Prasetyanto, Eko Adi, Michiels, Carine, De Cola, Luisa and Bonifazi, Davide

2016. Fast targeting and cancer cell uptake of luminescent antibody-nanozeolite bioconjugates. Small 12 (39) , pp. 5431-5441. 10.1002/smll.201601447

Mart, Robert

and Allemann, Rudolf

2016. Azobenzene photocontrol of peptides and proteins. Chemical Communications 52 (83) , pp. 12262-12277. 10.1039/C6CC04004G

Mart, Robert

, Meah, Dilruba and Allemann, Rudolf Konrad

2016. Photocontrolled exposure of pro-apoptotic peptide sequences in LOV proteins modulate Bcl-2 family interactions. Chembiochem 17 (8) , pp. 698-701. 10.1002/cbic.201500469

Martorana, Annamaria, Giacalone, Valentina, Bonsignore, Riccardo

, Pace, Andrea, Gentile, Carla, Pibiri, Ivana, Buscemi, Silvestre, Lauria, Antonino and Piccionello, Antonio Palumbo 2016. Heterocyclic scaffolds for the treatment of Alzheimer's Disease. Current Pharmaceutical Design 22 (26) , pp. 3971-3995. 10.2174/1381612822666160518141650

Mauguière, Frédéric A. L., Collins, Peter, Kramer, Zeb C., Carpenter, Barry K.

, Ezra, Gregory S., Farantos, Stavros C. and Wiggins, Stephen 2016. Phase space barriers and dividing surfaces in the absence of critical points of the potential energy: Application to roaming in ozone. Journal of Chemical Physics 144 (5) , 054107. 10.1063/1.4940798

Mauguière, Frédéric A. L., Collins, Peter

, Stamatiadis, Stamatis, Li, Anyang, Ezra, Gregory S., Farantos, Stavros C., Kramer, Zeb C., Carpenter, Barry K.

, Wiggins, Stephen and Guo, Hua 2016. Toward understanding the roaming mechanism in H + MgH → Mg + HH reaction. Journal of Physical Chemistry A 120 (27) , pp. 5145-5154. 10.1021/acs.jpca.6b00682

Mayabadi, A. H, Waman, V. S, Rondiya, S. R, Pathan, H. M and Jadkar, S. R 2016. Structural and morphological properties of electrochemically deposited CdTe thin films. Journal of Computational and Theoretical Nanoscience 22 (4) , pp. 925-928. 10.1166/asl.2016.6949

Meenakshisundaram, Sankar

, He, Qian

, Dawson, Simon, Nowicka, Ewa

, Lu, Li, Bruijnincx, Pieter C. A., Beale, Andrew M., Kiely, Christopher J.

and Weckhuysen, Bert M. 2016. Supported bimetallic nano-alloys as highly active catalysts for the one-pot tandem synthesis of imines and secondary amines from nitrobenzene and alcohols. Catalysis Science and Technology 6 (14) , pp. 5473-5482. 10.1039/C6CY00425C

Meenakshisundaram, Sankar

2016. Recent developments in tuning the structural and functional properties of supported bimetallic nanoalloy catalysts. O'Brien, Paul and Thomas, P. John, eds. Nanoscience : Volume 3, Royal Society of Chemistry, p. 154.

Meier, Samuel M., Gerner, Christopher, Keppler, Bernhard K., Cinellu, Maria Agostina and Casini, Angela

2016. Mass spectrometry uncovers molecular reactivities of coordination and organometallic gold (III) drug candidates in competitive experiments that correlate with their biological effects. Inorganic Chemistry 55 (9) , pp. 4248-4259. 10.1021/acs.inorgchem.5b03000

Melen, Rebecca L.

and Gade, Lutz H. 2016. New chemistry with anionic NNN pincer ligands. Topics in Organometallic Chemistry, Vol. 54. Springer, pp. 179-208. (10.1007/3418_2015_114)

Melen, Rebecca L.

and Stephan, Douglas W. 2016. Main group transformations. Dalton Transactions 45 (14) , p. 5879. 10.1039/C6DT90027E

Melen, Rebecca

, Less, Robert J., Pask, Christopher M. and Rawson, Jeremy M. 2016. Structural studies of Perfluoroaryldiselenadiazolyl Radicals: Insights into Dithiadiazolyl Chemistry. Inorganic Chemistry 55 (22) , pp. 11747-11759. 10.1021/acs.inorgchem.6b01771

Mercy, Maxime, De Leeuw, Nora

and Bell, Robert G. 2016. Mechanisms of CO2 capture in ionic liquids: A computational perspective. Faraday Discussions 192 , pp. 479-492. 10.1039/C6FD00081A

Metters, Owen J., Flynn, Stephanie R., Dowds, Christiana K., Sparkes, Hazel A., Manners, Ian and Wass, Duncan

2016. Catalytic dehydrocoupling of amine-boranes using cationic zirconium(IV)-phosphine frustrated Lewis pairs. ACS Catalysis 6 (10) , pp. 6601-6611. 10.1021/acscatal.6b02211

Metters, Owen J., Forrest, Sebastian J. K., Sparkes, Hazel A., Manners, Ian and Wass, Duncan F.

2016. Small molecule activation by intermolecular Zr(IV)-phosphine frustrated Lewis pairs. Journal of the American Chemical Society 138 (6) , pp. 1994-2003. 10.1021/jacs.5b12536

Midega, Charles A. O., Pickett, John

, Hooper, Antony, Pittchar, Jimmy and Khan, Zeyaur R. 2016. Maize landraces are less affected by Striga hermonthica relative to hybrids in Western Kenya. Weed Technology Journal 30 (01) , pp. 21-28. 10.1614/WT-D-15-00055.1

Miedziak, Peter John, Jones, Daniel R., Iqbal, Sarwat, Kondrat, Simon A., Lari, Giacamo, Morgan, David John

, Parker, Stewart and Hutchings, Graham John

2016. An investigation of the effect of carbon support on ruthenium/ carbon catalysts for lactic acid and butanone hydrogenation. Physical Chemistry Chemical Physics 18 , pp. 17259-17264. 10.1039/C6CP01311B

Miletic, Tanja, Pavoni, Eleonora, Trifiletti, Vanira, Rizzo, Aurora, Listorti, Andrea, Colella, Silvia, Armaroli, Nicola and Bonifazi, Davide

2016. Covalently functionalized SWCNTs as tailored p-type dopants for perovskite solar cells. ACS Applied Materials & Interfaces 10.1021/acsami.6b08398

Mishra, Abhishek Kumar and de Leeuw, Nora H.

2016. Mechanistic insights into the Cu(I) oxide-catalyzed conversion of CO2 to fuels and chemicals: a DFT approach. Journal of CO2 Utilization 15 , pp. 96-106. 10.1016/j.jcou.2016.02.008

Mishra, Abhishek Kumar, Roldan Martinez, Alberto

2016. CuO surfaces and CO2 activation: a dispersion-corrected DFT plus U Study. Journal of Physical Chemistry C 120 (4) , pp. 2198-2214. 10.1021/acs.jpcc.5b10431

Mishra, Abhishek Kumar, Roldan Martinez, Alberto

2016. A density functional theory study of the adsorption behaviour of CO2 on Cu2O surfaces. Journal of Chemical Physics 145 (4) , 044709. 10.1063/1.4958804

Mishra, P. K.

and Verma, A. K. 2016. Metal-free regioselective tandem synthesis of diversely substituted benzimidazo-fused polyheterocycles in aqueous medium. Green Chemistry 18 (23) , pp. 6367-6372. 10.1039/c6gc02330d

Mishra, Rohan, Kim, Young-Min, He, Qian

, Huang, Xing, Kim, Seong Keun, Susner, Michael A., Bhattacharya, Anand, Fong, Dillon D., Pantelides, Sokrates T. and Borisevich, Albina Y. 2016. Towards spin-polarized two-dimensional electron gas at a surface of an antiferromagnetic insulating oxide. Physical Review B 94 (4) , 045123. 10.1103/PhysRevB.94.045123

Mizar, Pushpak, Niebuhr, Rebecca, Hutchings, Matthew, Farooq, Umar and Wirth, Thomas

2016. Thioamination of alkenes with hypervalent iodine reagents. Chemistry - a European Journal 22 (5) , pp. 1614-1617. 10.1002/chem.201504636

Mohammed, Khaled M. H., Chutia, Arunabhiram, Callison, June, Wells, Peter P., Gibson, Emma K., Beale, Andrew M., Catlow, Charles Richard

and Raja, Robert 2016. Design and control of Lewis acid sites in Sn-substituted microporous architectures. Journal of Materials Chemistry A 4 (15) , pp. 5706-5712. 10.1039/C5TA10283A

Molt, Robert, Watson, Thomas, Bazanté, Alexandre P., Bartlett, Rodney J. and Richards, Nigel G.J.

2016. Gas phase RDX decomposition pathways using coupled cluster theory. Physical Chemistry Chemical Physics 18 (37) , pp. 26069-26077. 10.1039/C6CP05121A

Monti, Mauro 2016. Metal ligand complex syntheses for imaging applications. PhD Thesis, Cardiff University.

Item availability restricted.

Mueller, Simon T. R., Murat, Aurélien, Hellier, Paul and Wirth, Thomas

2016. Toward a large-scale approach to milnacipran analogues using diazo compounds in flow chemistry. Organic Process Research and Development 20 (2) , pp. 495-502. 10.1021/acs.oprd.5b00308

Muenzner, Julienne K, Biersack, Bernhard, Albrecht, Alexander, Rehm, Tobias, Lacher, Ulrike, Milius, Wolfgang, Casini, Angela

, Zhang, Jing-Jing, Ott, Ingo, Brabec, Viktor, Stuchlikova, Olga, Andronache, Ion C, Schuppan, Detlef, Kaps, Leonard and Schobert, Rainer 2016. Ferrocenyl-coupled n-heterocyclic carbene complexes of gold(i): a successful approach to multinuclear anticancer drugs. Chemistry - a European Journal 22 (52) , pp. 18953-18962. 10.1002/chem.201604246

Müller, Simon T. R., Hokamp, Tobias, Ehrmann, Svenja, Hellier, Paul and Wirth, Thomas

2016. Ethyl lithiodiazoacetate: extremely unstable intermediate handled efficiently in flow. Chemistry: A European Journal 22 (34) , pp. 11940-11942. 10.1002/chem.201602133

Murray, Alexander T., Challinor, Jonathan D., Gulácsy, Christina E., Lujan, Cristina, Hatcher, Lauren E.

, Pudney, Christopher R., Raithby, Paul R., John, Matthew P. and Carbery, David R. 2016. Modelling flavoenzymatic charge transfer events: development of catalytic indole deuteration strategies. Organic and Biomolecular Chemistry 14 (15) , pp. 3787-3792. 10.1039/C6OB00361C

Mutyambai, Daniel M., Bruce, Toby J. A., van den Berg, Johnnie, Midega, Charles A. O., Pickett, John

and Khan, Zeyaur R. 2016. An indirect defence trait mediated through egg-induced maize volatiles from neighbouring plants. PLoS ONE 11 (7) , e0158744. 10.1371/journal.pone.0158744

Nahi, Riyadh 2016. Synthesis and biophysical studies of nucleic acid-binding oligomers. PhD Thesis, Cardiff University.

Item availability restricted.

Nakashima, Yoshitaka, Ida, Takashi Y., Powell, Wilf, Pickett, John

, Birkett, Michael A., Taki, Hisatomo and Takabayashi, Junji 2016. Field evaluation of synthetic aphid sex pheromone in enhancing suppression of aphid abundance by their natural enemies. BioControl 61 (5) , pp. 485-496. 10.1007/s10526-016-9734-3

Nash, Anthony, Saßmannshausen, Jörg, Bozec, Laurent, Birch, Helen L. and de Leeuw, Nora

2016. Computational study of glucosepane-water and hydrogen bond formation: an electron topology and orbital analysis. Journal of Biomolecular Structure and Dynamics 35 (5) , pp. 1127-1137. 10.1080/07391102.2016.1172026

Nave, Mariana, Castro, Rui E., Rodrigues, Cecília M. P., Casini, Angela

, Soveral, Graça and Gaspar, Maria Manuela 2016. Nanoformulations of a potent copper-based aquaporin inhibitor with cytotoxic effect against cancer cells. Nanomedicine 11 (14) , pp. 1817-1830. 10.2217/nnm-2016-0086

Nguyen, Hong K. D., Sankar, Gopinathan and Catlow, Charles Richard A.

2016. Effects of the synthetic condition on the stability, particle size and redox chemistry of nanoporous CoAlPO-34. Journal of Porous Materials 24 (3) , pp. 567-572. 10.1007/s10934-016-0292-y

Nieva de la Hidalga, Abraham

, Hardisty, Alex

and Jones, Andrew 2016. SCRAM-CK: applying a collaborative requirements engineering process for designing a web based e-science toolkit. Requirements Engineering 21 , pp. 107-129. 10.1007/s00766-014-0212-0

Nuzzo, Stefano, Twamley, Brendan, Platts, James Alexis

and Baker, Robert J. 2016. Characterisation of isothiocyanic acid, HNCS, in the solid state: trapped by hydrogen bonding. Chemical Communications 52 (90) , pp. 13296-13298. 10.1039/C6CC05971F

O'Connor, Alice E, Mirzadeh, Nedaossadat, Bhargava, Suresh K, Easun, Timothy

, Schroder, M. and Blake, Alexander J. 2016. Aurophilicity under pressure: a combined crystallographic and in-situ spectroscopic study. Chemical Communications- Royal Society of Chemistry 52 , pp. 6769-6772. 10.1039/C6CC00923A

O'Malley, Alexander J., Parker, Stewart F., Chutia, Arunabhiram, Farrow, Matthew R., Silverwood, Ian P., García-Sakai, Victoria and Catlow, Charles Richard

2016. Room temperature methoxylation in zeolites: insight into a key step of the methanol-to-hydrocarbons process. Chemical Communications 52 (14) , pp. 2897-2900. 10.1039/C5CC08956E

O'Malley, Alexander James, Garcia Sakai, Victoria, Silverwood, Ian Philip, Dimitratos, Nikolaos

, Parker, Stewart and Catlow, Charles Richard

2016. Methanol diffusion in zeolite HY: a combined quasielastic neutron scattering and molecular dynamics simulation study. Physical Chemistry Chemical Physics 18 (26) , pp. 17294-17302. 10.1039/C6CP01151A

Olsson, Emilia, Aparicio-Anglès, Xavier and De Leeuw, Nora

2016. Ab initio study of vacancy formation in cubic LaMnO3 and SmCoO3 as cathode materials in solid oxide fuel cells. The Journal of Chemical Physics 145 (1) , 014703. 10.1063/1.4954939

Olsson, Emilia, Aparicio-Anglès, Xavier and De Leeuw, Nora

2016. A DFT+U study of the structural, electronic, magnetic, and mechanical properties of cubic and orthorhombic SmCoO3. Journal of Chemical Physics 145 (22) , 224704. 10.1063/1.4971186

Ontaneda, Jorge, Nicklin, Richard E. J., Cornish, Alix, Roldan Martinez, Alberto

, Grau-Crespo, Ricardo and Held, Georg 2016. Adsorption of Methyl Acetoacetate at Ni{111}: Experiment and Theory. Journal of Physical Chemistry C 120 (48) , pp. 27490-27499. 10.1021/acs.jpcc.6b10023

Orr-Ewing, Andrew J., Verlet, Jan R. R., Penfold, Tom J., Minns, Russell S., Minitti, Michael P., Sølling, Theis I., Schalk, Oliver, Kowalewski, Markus, Marangos, Jon P., Robb, Michael A., Johnson, Allan S., Wörner, Hans Jakob, Shalashilin, Dmitrii V., Miller, R. J. Dwayne, Domcke, Wolfgang, Ueda, Kiyoshi, Weber, Peter M., Cireasa, Raluca, Vacher, Morgane, Roberts, Gareth M., Decleva, Piero, Bencivenga, Filippo, Neumark, Daniel M., Gessner, Oliver, Stolow, Albert, Mishra, Pankaj Kumar, Polyak, Iakov

, Baeck, Kyoung Koo, Kirrander, Adam, Dowek, Danielle, Jiménez-Galán, Álvaro, Martín, Fernando, Mukamel, Shaul, Sekikawa, Taro, Gelin, Maxim F., Townsend, Dave, Makhov, Dmitry V. and Neville, Simon P. 2016. Electronic and non-adiabatic dynamics: general discussion. Faraday Discussions 194 , pp. 209-257. 10.1039/C6FD90070D

Padovan, Daniele, Parsons, Charlie, Simplicio Grasina, Manuel and Hammond, Ceri

2016. Intensification and deactivation of Sn-Beta investigated in the continuous regime. Green Chemistry 2016 (18) , pp. 5041-5049. 10.1039/C6GC01288D

Palmer, Benjamin A., Collins, Stephen P., Hulliger, Juerg, Hughes, Colan E. and Harris, Kenneth D. M.

2016. Determining molecular orientations in disordered materials from X-ray linear dichroism at the iodine L1-edge. Journal of the American Chemical Society 138 (50) , pp. 16188-16191. 10.1021/jacs.6b09054

Patra, Tuhin, Bag, Sukdev, Kancherla, Rajesh, Mondal, Anirban, Dey, Aniruddha, Pimparkar, Sandeep, Agasti, Soumitra, Modak, Atanu and Maiti, Debabrata 2016. Palladium‐catalyzed directed para C−H functionalization of phenols. Angewandte Chemie International Edition 55 (27) , pp. 7751-7755. 10.1002/anie.201601999

Patra, Tuhin, Nandi, Sudip, Sahoo, Santosh K. and Maiti, Debabrata 2016. Copper mediated decarboxylative direct C-H arylation of heteroarenes with benzoic acids. Chemical Communications 52 (7) , pp. 1432-1435. 10.1039/C5CC08367B

Patra, Tuhin, Watile, Rahul, Agasti, Soumitra, Naveen, Togati and Maiti, Debabrata 2016. Sequential meta-C–H olefination of synthetically versatile benzyl silanes: effective synthesis of meta-olefinated toluene, benzaldehyde and benzyl alcohols. Chemical Communications 52 (10) , pp. 2027-2030. 10.1039/C5CC09446A

Pattisson, Samuel, Nowicka, Ewa

, Gupta, Upendra N., Shaw, Greg, Jenkins, Robert L., Morgan, David J.

, Knight, David W. and Hutchings, Graham J.

2016. Tuning graphitic oxide for initiator- and metal-free aerobic epoxidation of linear alkenes. Nature Communications 7 , 12855. 10.1038/ncomms12855

Pelties, Stefan, Carter, Emma, Folli, Andrea

, Mahon, Mary F., Murphy, Damien M.

, Whittlesey, Michael K. and Wolf, Robert 2016. Influence of ring-expanded N-heterocyclic carbenes on the structures of half-sandwich Ni(I) complexes: an x-ray, electron paramagnetic resonance (EPR), and electron nuclear double resonance (ENDOR) study. Inorganic Chemistry 55 (21) , pp. 11006-11017. 10.1021/acs.inorgchem.6b01540

Peneau, Virginie, Shaw, Greg, Armstrong, Robert, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Zanthoff, Horst, Pietz, Stefan, Stochniol, Guido and Hutchings, Graham John

2016. The partial oxidation of propane under mild aqueous conditions with H2O2 and ZSM-5 catalysts. Catalysis Science & Technology 6 (20) , pp. 7521-7531. 10.1039/C6CY01332E

Pera-Titus, M. 2016. Direct inference of site strength in basic solids upon CO2 adsorption: enthalpy–entropy compensation effects. Physical Chemistry Chemical Physics 18 (32) , pp. 22548-22556. 10.1039/C6CP03941C

Perkins, Russell J., Shoemaker, Richard K., Carpenter, Barry K.

and Vaida, Veronica 2016. Chemical equilibria and kinetics in aqueous solutions of zymonic acid. Journal of Physical Chemistry A 120 (51) , pp. 10096-10107. 10.1021/acs.jpca.6b10526

Petretto, Giacomo Luigi, Maldini, Mariateresa, Addis, Roberta, Chessa, Mario, Foddai, Marzia, Rourke, Jonathan P.

and Pintore, Giorgio 2016. Variability of chemical composition and antioxidant activity of essential oils between Myrtus communis var. Leucocarpa DC and var. Melanocarpa DC. Food Chemistry 197 (Part A) , pp. 124-131. 10.1016/j.foodchem.2015.10.056

Petretto, Giacomo Luigi, Sarais, Giorgia, Maldini, Maria Teresa, Foddai, Marzia, Tirillini, Bruno, Rourke, Jonathan P.

, Chessa, Mario and Pintore, Giorgio 2016. Citrus monstruosa discrimination among several citrus species by multivariate analysis of volatiles: A metabolomic approach. Journal of Food Processing and Preservation 40 (5) , p. 950. 10.1111/jfpp.12674

Peveler, William J., Roldan, Alberto

, Hollingsworth, Nathan, Porter, Michael J. and Parkin, Ivan P. 2016. Multichannel detection and differentiation of explosives with a quantum dot array. ACS Nano 10 (1) , pp. 1139-1146. 10.1021/acsnano.5b06433

Pfützenreuter, Rebecca and Rose, Marcus 2016. Aqueous-phase amination of biogenic isohexides by using Ru/C as a solid catalyst. ChemCatChem 8 (1) , p. 251. 10.1002/cctc.201501077

Phaahlamohlaka, Tumelo N., Kumi, David O., Dlamini, Mbongiseni W., Jewell, Linda L. and Coville, Neil J. 2016. Ruthenium nanoparticles encapsulated inside porous hollow carbon spheres: A novel catalyst for Fischer-Tropsch synthesis. Catalysis Today 275 , pp. 76-83. 10.1016/j.cattod.2015.11.034

Pichaandi, Kothanda Rama, Kabalan, Lara, Kais, Sabre and Abu-Omar, Mahdi M. 2016. Mechanism of isomerization and methyl migration in heterobimetallic Rhenium-Iridium complexes: experimental and DFT study. Organometallics 35 (4) , 605–611. 10.1021/acs.organomet.6b00010

Pickett, John

2016. The essential need for GM crops. Nature Plants 2 (6) , p. 16078. 10.1038/nplants.2016.78

Pickett, John

and Khan, Zeyaur R. 2016. Plant volatile-mediated signalling and its application in agriculture: successes and challenges. New Phytologist 212 (4) , pp. 856-870. 10.1111/nph.14274

Pili, Simona, Argent, Stephen P., Morris, Christopher G., Rought, Peter, García-Sakai, Victoria, Silverwood, Ian P., Easun, Timothy L.

, Li, Ming, Warren, Mark R., Murray, Claire A., Tang, Chiu C., Yang, Sihai and Schröder, Martin 2016. Proton conduction in a phosphonate-based metal-organic framework mediated by intrinsic “free diffusion inside a sphere”. Journal of the American Chemical Society 138 (20) , pp. 6352-6355. 10.1021/jacs.6b02194

Pineda, Sergio, Arora, Mallika, Williams, Philip Andrew, Kariuki, Benson

and Harris, Kenneth David MacLean

2016. The Grammar of crystallographic expression. Presented at: Acadia 2016, Ann Arbor, Michigan, USA, 27-29 October 2016. Acadia 2016 Posthuman Frontiers: Data, Designers, and Cognitive Machines: Projects Catalog of the 36th Annual Conference of the Association for Computer Aided Design in Architecture. Acadia. Ann Arbor: Acadia Publishing Company, pp. 236-243.

Poh, Jian-Siang, Browne, Duncan L.

and Ley, Steven V. 2016. A multistep continuous flow synthesis machine for the preparation of pyrazoles via a metal-free amine-redox process. Reaction Chemistry and Engineering 2016 (1) , pp. 101-105. 10.1039/C5RE00082C

Quesne, Matthew, Borowski, T and De visser, S.P 2016. Quantum mechanics/molecular mechanics modeling of enzymatic processes: caveats and breakthroughs. Chemistry - a European Journal 22 (8) , pp. 2562-2581. 10.1002/chem.201503802

Quesne, Matthew, Senthilnathan, D., Singh, D., Kumar, D., Maldivi, P., Sorokin, A. and De Visser, S. P 2016. Origin of the enhanced reactivity of μ-nitrido-bridged diiron (IV)-oxo porphyrinoid complexes over cytochrome P450 Compound I. ACS Catalysis 6 (4) , pp. 2230-2243. 10.1021/acscatal.5b02720

Ravera, Mauro, Gabano, Elisabetta, Zanellato, Ilaria, Fregonese, Federico, Pelosi, Giorgio, Platts, James Alexis

and Osella, Domenico 2016. Antiproliferative activity of a series of cisplatin-based Pt(IV)-acetylamido/carboxylato prodrugs. Dalton Transactions 45 , pp. 5300-5309. 10.1039/C5DT04905A

Reed Harris, Allison E., Doussin, Jean-Francois, Carpenter, Barry K.

and Vaida, Veronica 2016. Gas-phase photolysis of pyruvic acid: the effect of pressure on reaction rates and products. Journal of Physical Chemistry A 120 (51) , pp. 10123-10133. 10.1021/acs.jpca.6b09058

Roberts, Douglas M., Bartel, Christoph, Scott, Alan, Ivison, David, Simpson, Thomas J. and Cox, Russell J. 2016. Substrate selectivity of an isolated enoyl reductase catalytic domain from an iterative highly reducing fungal polyketide synthase reveals key components of programming. Chemical Science 8 (2) , pp. 1116-1126. 10.1039/C6SC03496A

Roffey, Anna, Hollingsworth, Nathan, Islam, Husn-Ubayda, Mercy, Maxime, Sankar, Gopinathan, Catlow, Charles Richard

, Hogarth, Graeme and de Leeuw, Nora

2016. Phase control during the synthesis of nickel sulfide nanoparticles from dithiocarbamate precursors. Nanoscale 8 (21) , pp. 11067-11075. 10.1039/C6NR00053C

Rogers, Scott, Dimitratos, Nikolaos

, Jones, Wilm, Bowker, Michael

, Kanaras, Antonios G., Wells, Peter Philip, Catlow, Charles Richard

and Parker, Stewart 2016. The adsorbed state of a thiol on palladium nanoparticles. Physical Chemistry Chemical Physics 18 , pp. 17265-17271. 10.1039/C6CP00957C

Rokade, A. V., Rondiya, S. R., Jadhavar, A. A., Pandharkar, S. M., Karpe, S. D., Diwate, K. D. and Jadkar, S. R. 2016. Electrochemical synthesis of p-Cu2O/n-ZnO nanorods hetero-junction for photovoltaic application. Presented at: 2nd International Conference on Emerging Technologies: Micro to Nano 2015 (ETMN-2015), Rajasthan, India, 24-25 October 2015. 2ND INTERNATIONAL CONFERENCE ON EMERGING TECHNOLOGIES: MICRO TO NANO 2015 (ETMN-2015): Contributory papers presented in 2nd International Conference on Emerging Technologies: Micro to Nano 2015. AIP Conference Proceedings. AIP Conference Proceedings , vol.1724 AIP Publishing, 10.1063/1.4945129

Rokade, Avinash, Rondiya, Sachin, Gabhale, Bharat, Diwate, Kiran, Karpe, Smita, Mayabadi, Azam, Pandharkar, Subhash, Sharma, Vidhika, Lonkar, Ganesh, Pathan, Habib and Jadkar, Sandesh 2016. Electrodeposition of template free hierarchical ZnO nanorod arrays via a chloride medium. Journal of Materials Science: Materials in Electronics 27 (12) , pp. 12357-12364. 10.1007/s10854-016-5447-8

Roldan Martinez, Alberto

2016. Catalytic water dissociation by greigite Fe3S4surfaces: density functional theory study. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 472 (2188) , 20160080. 10.1098/rspa.2016.0080

Roldan Martinez, A.

and de Leeuw, N. H.

2016. Methanol formation from CO2 catalyzed by Fe3S4{111}: formate versus hydrocarboxyl pathways. Faraday Discussions 188 , pp. 161-180. 10.1039/C5FD00186B

Rondiya, S. R., Rokade, A. V., Jadhavar, A. A., Pandharkar, S. M., Kulkarni, R. R., Karpe, S. D., Diwate, K. D. and Jadkar, S. R. 2016. Synthesis and characterization of DC magnetron sputtered nano structured molybdenum thin films. Presented at: 2nd International Conference on Emerging Technologies: Micro to Nano 2015 (ETMN-2015), Rajasthan, India, 24-25 October 2015. 2ND INTERNATIONAL CONFERENCE ON EMERGING TECHNOLOGIES: MICRO TO NANO 2015 (ETMN-2015): Contributory papers presented in 2nd International Conference on Emerging Technologies: Micro to Nano 2015. AIP Conference Proceedings. AIP Conference Proceedings , vol.1724 AIP Publishing, 10.1063/1.4945209

Rondiya, S. R., Waman, V. S., Rokade, A. V., Mayabadi, A. H., Pawbake, A. S and Jadkar, S. R 2016. Film thickness effects on morphology, optical and structural properties of chemical bath deposition grown CdS thin films for solar cell applications. Journal of Computational and Theoretical Nanoscience 22 (4) , pp. 854-858. 10.1166/asl.2016.6981

Rourke, Jonathan P.

and Wilson, Neil R. 2016. Letter to the Editor: A defence of the two-component model of graphene oxide. Carbon 96 , pp. 339-341. 10.1016/j.carbon.2015.09.083

Ruiz Hernandez, Sergio

, Ainsworth, Richard I. and de Leeuw, Nora

2016. Molecular dynamics simulations of bio-active phosphate-based glass surfaces. Journal of Non-Crystalline Solids 451 , pp. 131-137. 10.1016/j.jnoncrysol.2016.06.004

Ruiz-Pernía, J. Javier, Behiry, Enas, Luk, Louis Yu Pan

, Loveridge, Edric Joel, Tuñón, Iñaki, Moliner, Vicent and Allemann, Rudolf Konrad

2016. Minimization of dynamic effects in the evolution of dihydrofolate reductase. Chemical Science 7 (5) , pp. 3248-3255. 10.1039/C5SC04209G

Saeed, Ibrahim Q. 2016. Optoelectronically active sensitisers for the selective detection of nucleic acid biomarkers. PhD Thesis, Cardiff University.
Item availability restricted.

Sainna, Mala Alhaji 2016. Electronic and catalytic properties of metal complexes. Germany: Scholar Press.

Salama, Ibrahim E. and Paul, Alison

2016. Emulsions of fluorinated oils stabilised by fluorinated silica nanoparticles. Colloids and Surfaces A: Physicochemical and Engineering Aspects 494 , pp. 125-138. 10.1016/j.colsurfa.2016.01.012

Saleh, Basil A., Smith, Keith, Elliott, Mark Christopher

, Jones, Dyfyr Heulyn, Kariuki, Benson M.

and El Hiti, Gamal A. 2016. Reactions of organoboranes with carbanions bearing three potential leaving groups: unusual processes, products and mechanisms. Tetrahedron 72 (44) , pp. 6914-6928. 10.1016/j.tet.2016.09.005

Sanchez Trujillo, Felipe Juan, Motta, Davide and Dimitratos, Nikolaos

2016. Catalytic decomposition of carbon-based liquid-phase chemical hydrogen storage materials for hydrogen generation under mild conditions. Applied Petrochemical Research 6 (3) , pp. 269-277. 10.1007/s13203-016-0159-9

Santos Carballal, David

, Du, Zhimei, King, Helen E. and de Leeuw, Nora

2016. A computational study of the interaction of organic surfactants with goethite α-FeO(OH) surfaces. RSC Advances 6 (94) , pp. 91893-91903. 10.1039/C6RA12377E

Santos Carballal, David

2016. Early oxidation processes on the Greigite Fe₃S₄(001) surface by water: A density functional theory study. The Journal of Physical Chemistry C 120 (16) , pp. 8616-8629. 10.1021/acs.jpcc.6b00216

Savage, Mathew, Cheng, Yongqiang, Easun, Timothy

, Eyley, Jennifer E., Argent, Stephen P., Warren, Mark R., Lewis, William, Murray, Claire, Tang, Chiu C., Frogley, Mark D., Cinque, Gianfelice, Sun, Junliang, Rudi?, Svemir, Murden, Richard T., Benham, Michael J., Fitch, Andrew N., Blake, Alexander J., Ramirez-Cuesta, Anibal J., Yang, Sihai and Schröder, Martin 2016. Selective adsorption of sulfur dioxide in a robust metal-organic framework material. Advanced Materials 28 (39) , pp. 8705-8711. 10.1002/adma.201602338

Schmidt, Andrea, Hollering, Manuela, Han, Jiaying, Casini, Angela

and Kühn, Fritz Elmar 2016. Self-assembly of highly luminescent heteronuclear coordination cages. Dalton Transactions 10.1039/C6DT02708C

Schmidt, Andrea, Hollering, Manuela, Drees, Markua, Casini, Angela

and Kühn, Fritz E. 2016. Supramolecular exo-functionalized palladium cages: fluorescent properties and biological activity. Dalton Transactions 45 , pp. 8556-8565. 10.1039/C6DT00654J

Schmidt, Andrea, Molano, Viviana, Hollering, Manuela, Pöthig, Alexander, Casini, Angela

and Kühn, Fritz E. 2016. Evaluation of new palladium cages as potential delivery systems for the anticancer drug cisplatin. Chemistry - a European Journal 22 (7) , pp. 2253-2256. 10.1002/chem.201504930

Schotten, Christiane, Aldmairi, Abdul Hadi

, Sagatov, Yerbol, Shepherd, Martyn and Browne, Duncan L.

2016. Protected diazonium salts: a continuous-flow preparation of triazenes including the anticancer compounds dacarbazine and mitozolomide. Journal of Flow Chemistry 6 (3) , pp. 218-225. 10.1556/1846.2016.00025

Selli, Daniele, Boulfelfel, Salah Eddine, Schapotschnikow, Philipp, Donadio, Davide and Leoni, Stefano

2016. Hierarchical thermoelectrics: crystal grain boundaries as scalable phonon scatterers. Nanoscale 8 (6) , pp. 3729-3728. 10.1039/C5NR05279C

Sert, Yusuf, Ucun, Fatih, El-Hiti, Gamal, Smith, Keith and Hegazy, Amany S. 2016. Spectroscopic Investigations and DFT Calculations on 3-(Diacetylamino)-2-ethyl-3H-quinazolin-4-one. Journal of Spectroscopy 2016 , 5396439. 10.1155/2016/5396439

Sha, Jin, Zheng, Er-Jin, Zhou, Wen-Juan, Liebens, Armin and Pera-Titus, Marc 2016. Selective oxidation of fatty alcohol ethoxylates with H2O2 over Au catalysts for the synthesis of alkyl ether carboxylic acids in alkaline solution. Journal of Catalysis 337 , pp. 199-207. 10.1016/j.jcat.2016.02.014

Sharma, Pankaj

, Song, Ju-Sub, Han, Moon Hee and Cho, Churl-Hee 2016. GIS-NaP1 zeolite microspheres as potential water adsorption material: Influence of initial silica concentration on adsorptive and physical/topological properties. Scientific Reports 6 (1) , 22734. 10.1038/srep22734

Sharma, Pramod K., Balwani, Sakshi, Mathur, Divya, Malhotra, Shashwat, Singh, Brajendra K., Prasad, Ashok K., Len, Christophe, Van der Eycken, Erik V., Ghosh, Balaram, Richards, Nigel G. J.

and Parmar, Virinder S. 2016. Synthesis and anti-inflammatory activity evaluation of novel triazolyl-isatin hybrids. Journal of Enzyme Inhibition and Medicinal Chemistry 31 (6) , pp. 1520-1526. 10.3109/14756366.2016.1151015

Shaw, Paul A., Clarkson, Guy J. and Rourke, Jonathan P.

2016. Long-lived five-coordinate platinum(IV) intermediates: regiospecific C-C coupling. Organometallics 35 (21) , pp. 3751-3762. 10.1021/acs.organomet.6b00697

Shaw, Paul A., Phillips, Jessica M., Clarkson, Guy J. and Rourke, Jonathan P.

2016. Trapping five-coordinate platinum(IV) intermediates. Dalton Transactions 45 (28) , pp. 11397-11406. 10.1039/C6DT02088G

Shepherd, Helena, Tonge, George, Hatcher, Lauren

, Bryant, Mathew, Knichal, Jane, Raithby, Paul, Halcrow, Malcolm, Kulmaczewski, Rafal, Gagnon, Kevin and Teat, Simon 2016. A high pressure investigation of the order-disorder phase transition and accompanying spin crossover in [FeL12](ClO4)2 (L1 = 2,6-bis{3-methylpyrazol-1-yl}-pyrazine). Magnetochemistry 2 (1) , -. 10.3390/magnetochemistry2010009

Shi, Genggongwo, Aliakbar Tehrani, Zahra, Kim, Dongwook, Cho, Woo Jong, Youn, Il-Seung, Lee, Han Myoung, Yousuf, Muhammad, Ahmed, Nisar

, Shirinfar, Bahareh, Teator, Aaron J., Lastovickova, Dominika N., Rasheed, Lubna, Lah, Myoung Soo, Bielawski, Christopher W. and Kim, Kwang S. 2016. Halides with fifteen aliphatic C-H···Anion interaction sites. Scientific Reports 6 (1) , 30123. 10.1038/srep30123

Shields, Ashley E., Santos Carballal, David

2016. A density functional theory study of uranium-doped thoria and uranium adatoms on the major surfaces of thorium dioxide. Journal of Nuclear Materials 473 , pp. 99-111. 10.1016/j.jnucmat.2016.02.009

Shin, Hyun Ho, Lu, Li, Yang, Zhou, Kiely, Christopher J.

and McIntosh, Steven 2016. Cobalt catalysts decorated with platinum atoms supported on barium zirconate provide enhanced activity and selectivity for CO2 methanation. ACS Catalysis 6 (5) , pp. 2811-2818. 10.1021/acscatal.6b00005

Shozi, Mzamo L., Dasireddy, Venkata D. B. C., Singh, Sooboo, Mohlala, Pheladi, Morgan, David J.

and Friedrich, Holger B. 2016. Hydrogenolysis of glycerol to monoalcohols over supported Mo and W Catalysts. ACS Sustainable Chemistry & Engineering 4 (10) , pp. 5752-5760. 10.1021/acssuschemeng.6b01675

Silverwood, I. P., Al-Rifai, N., Cao, E., Nelson, D. J., Chutia, A., Wells, P. P., Nolan, S. P., Frogley, M. D., Cinque, G., Gavriilidis, A. and Catlow, Charles Richard

2016. Towards microfluidic reactors for in situ synchrotron infrared studies. Review of Scientific Instruments 87 (2) , 024101. 10.1063/1.4941825

Silverwood, I. P., Rogers, S. M., Callear, S. K., Parker, S. F. and Catlow, Charles Richard

2016. Evidence for a surface gold hydride on a nanostructured gold catalyst. Chemical Communications 52 (3) , p. 533. 10.1039/C5CC06118K

Slater, T.J.A.

, Lewis, E.A. and Haigh, S.J. 2016. Energy dispersive X-ray tomography for 3D elemental mapping of individual nanoparticles. Journal of Visualized Experiments 113 , e52815. 10.3791/52815

Slater, Thomas J. A.

, Lewis, Edward A. and Haigh, Sarah J. 2016. Recent progress in scanning transmission electron microscope imaging and analysis: application to nanoparticles and 2D nanomaterials. O'Brien, Paul and Thomas, P. John, eds. Nanoscience: Volume 3, Vol. 3. pp. 168-192. (10.1039/9781782623717-00168)

Slater, Thomas J.A.

, Janssen, Arne, Camargo, Pedro H.C., Burke, M. Grace, Zaluzec, Nestor J. and Haigh, Sarah J. 2016. STEM-EDX tomography of bimetallic nanoparticles: A methodological investigation. Ultramicroscopy 162 , pp. 61-73. 10.1016/j.ultramic.2015.10.007

Slater, Thomas

, Chen, Yiqiang, Auton, Gregory, Zaluzec, Nestor and Haigh, Sarah 2016. X-Ray absorption correction for quantitative scanning transmission electron microscopic energy-dispersive X-Ray spectroscopy of spherical nanoparticles. Microscopy and Microanalysis 22 (02) , pp. 440-447. 10.1017/s1431927616000064

Smith, Andrew David, Stark, Daniel, Morrill, Louis

, Cordes, David, Slawin, Alexandra and O'Riordan, Timothy 2016. Enantioselective synthesis of 3,5,6-substituted dihydropyranones and dihydropyridinones using isothiourea-mediated catalysis. Chemistry - An Asian Journal 11 (3) , pp. 395-400. 10.1002/asia.201500907

Soldatova, Natalia, Postnikov, Pavel, Kukurina, Olga, Zhdankin, Viktor V., Yoshimura, Akira, Wirth, Thomas

and Yusubov, Mekhman S. 2016. Facile one-pot synthesis of diaryliodonium salts from arenes and aryl iodides with oxone. ChemistryOpen 10.1002/open.201600129

Spangler, Leah C., Lu, Li, Kiely, Christopher J.

, Berger, Bryan W. and McIntosh, Steven 2016. Biomineralization of PbS and PbS-CdS core-shell nanocrystals and their application in quantum dot sensitized solar cells. Journal of Materials Chemistry. A 4 (16) , pp. 6107-6115. 10.1039/C5TA10534J

Speciale, Gaetano, Jin, Yi

, Davies, Gideon J., Williams, Spencer J. and Goddard-Borger, Ethan D. 2016. YihQ is a sulfoquinovosidase that cleaves sulfoquinovosyl diacylglyceride sulfolipids. Nature Chemical Biology 12 , pp. 215-217. 10.1038/nchembio.2023

Spinello, Angelo, Bonsignore, Riccardo

, Barone, Giampaolo, Keppler, Bernhard K. and Terenzi, Alessio 2016. Metal ions and metal complexes in Alzheimer's disease. Current Pharmaceutical Design 22 (26) , pp. 3996-4010. 10.2174/1381612822666160520115248

Spinello, Angelo, De Almeida, Andreia

, Casini, Angela

and Barone, Giampaolo 2016. The inhibition of glycerol permeation through aquaglyceroporin-3 induced by mercury (II): A molecular dynamics study. Journal of Inorganic Biochemistry 160 , pp. 78-84. 10.1016/j.jinorgbio.2015.11.027

Springer, S, Baburin, I.A., Heinemeyer, T, Gerrit Schiffmann, J, van Wullen, L, Leoni, Stefano

and Wiebcke, M 2016. A zeolitic imidazolate framework with conformational variety: Conformational polymorphs versus frameworks with static conformational disorder. Crystengcomm 18 (14) , pp. 2477-2489. 10.1039/C6CE00312E

Stacey, Oliver J., Ward, Benjamin D.

, Coles, Simon J., Horton, Peter N. and Pope, Simon J. A.

2016. Chromophore-labelled, luminescent platinum complexes: syntheses, structures, and spectroscopic properties. Dalton Transactions 45 , pp. 10297-10307. 10.1039/C6DT01335J

Stacey, Oliver J., Ward, Benjamin David

, Amoroso, Angelo JAmes

2016. Near-IR luminescent lanthanide complexes with 1,8-diaminoanthraquinone-based chromophoric ligands. Dalton Transactions 45 (15) , pp. 6674-6681. 10.1039/C5DT04351D

Stassen, Daphné, Demitri, Nicola and Bonifazi, Davide

2016. Extended O-doped polycyclic aromatic hydrocarbons. Angewandte Chemie - International Edition 55 (20) , pp. 5947-5951. 10.1002/anie.201509517

Stopin, Antoine, Rossignon, Alexandre, Keshavarz, Masoumeh, Ishida, Yasuhiro, Christianen, Peter C. M. and Bonifazi, Davide

2016. Polarization of soft materials through magnetic alignment of polymeric organogels under low-field conditions. Chemistry of Materials 28 (19) , pp. 6985-6994. 10.1021/acs.chemmater.6b02687

Su, Ren, Dimitratos, Nikolaos

, Liu, Jinjia, Carter, Emma

, Althahban, Sultan, Wang, Xueqin, Shen, Yanbin, Wendt, Stefan, Wen, Xiaodong, Niemantsverdriet, J. W. (Hans), Iversen, Bo B., Kiely, Christopher John

and Besenbacher, Flemming 2016. Mechanistic insight into the interaction between a titanium dioxide photocatalyst and Pd co-catalyst for improved photocatalytic performance. ACS Catalysis 6 (7) , pp. 4239-4247. 10.1021/acscatal.6b00982

Subramanian, Nachal D., Callison, June, Catlow, Charles Richard

, Wells, Peter P. and Dimitratos, Nikolaos

2016. Optimised hydrogen production by aqueous phase reforming of glycerol on Pt/Al2O3. International Journal of Hydrogen Energy 41 (41) , pp. 18441-18450. 10.1016/j.ijhydene.2016.08.081

Sutter, John P., Dolbnya, Igor P., Collins, Stephen P., Harris, Kenneth David Maclean

, Edwards-Gau, Gregory R., Kariuki, Benson

and Palmer, Benjamin A. 2016. Novel technique for spatially resolved imaging of molecular bond orientations using x-ray birefringence. Presented at: 12th Annual Conference on Synchrotron Radiation Instrumentation - SRI2015, New York City, NY, USA, 6-10 July 2015. Proceedings of the 12th Annual Conference on Synchrotron Radiation Instrumentation - SRI2015. , vol.1741 American Institute of Physics, 050009. 10.1063/1.4952929

Svalova, A.I. and Stishenko, P.V. 2016. Distribution of active site types on Au nanoparticles with different structures: study of thermal dependence. Procedia Engineering 152 , pp. 67-72. 10.1016/j.proeng.2016.07.629

Sweeney, Martin, Coyle, Robert, Kavanagh, Paul, Berezin, Andrey A., Lo Re, Daniele, Zissimou, Georgia A., Koutentis, Panayiotis A., Carty, Michael P. and Aldabbagh, Fawaz 2016. Discovery of anti-cancer activity for benzo[1,2,4]triazin-7-ones: Very strong correlation to pleurotin and thioredoxin reductase inhibition. Bioorganic and Medicinal Chemistry 24 (16) , pp. 3565-3570. 10.1016/j.bmc.2016.05.066

Tanguay, J. S., Catlow, Charles Richard A.

, Smith, C., Barber, J., Staffurth, John Nicholas

, Kumar, S., Palaniappan, N., Button, M. and Mason, Malcolm David

2016. High risk of neutropenia for hormone-naive prostate cancer patients receiving STAMPEDE-style upfront Docetaxel chemotherapy in usual clinical practice. Clinical Oncology 28 (9) , p. 611. 10.1016/j.clon.2016.03.006

Taylor, Felicity H., Buckeridge, John and Catlow, C. Richard A.

2016. Defects and oxide ion migration in the solid oxide fuel cell cathode material LaFeO3. Chemistry of Materials 28 (22) , pp. 8210-8220. 10.1021/acs.chemmater.6b03048

Taylor, Rupert G. D., Bezzu, C. Grazia, Carta, Mariolino, Msayib, Kadhum J., Walker, Jonathan, Short, Rhys, Kariuki, Benson

and McKeown, Neil B. 2016. The synthesis of organic molecules of intrinsic microporosity designed to frustrate efficient molecular packing. Chemistry - A European Journal 22 (7) , pp. 2466-2472. 10.1002/chem.201504212

Tchesnokov, E.P., Faponle, A.S., Quesne, Matthew, Turner, R., Fellner, M., Souness, R.J., Wilbanks, S.M., De visser, S.P and Jameson, G.N.L 2016. An iron-oxygen intermediate formed during the catalytic cycle of cysteine dioxygenase. Chemical Communications- Royal Society of Chemistry 52 (57) , pp. 8814-8817. 10.1039/C6CC03904A

Terranova, Umberto and de Leeuw, Nora

2016. A force field for mackinawite surface simulations in an aqueous environment. Theoretical Chemistry Accounts 135 (3) , 46. 10.1007/s00214-015-1782-8

Terranova, Umberto and de Leeuw, Nora

2016. Structure and dynamics of water at the mackinawite (001) surface. Journal of Chemical Physics 144 (9) , 094706. 10.1063/1.4942755

Tetko, Igor V., Varbanov, Hristo P., Galanski, Markus, Talmaciu, Mona, Platts, James Alexis

, Ravera, Mauro and Gabano, Elisabetta 2016. Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches. Journal of Inorganic Biochemistry 156 , pp. 1-13. 10.1016/j.jinorgbio.2015.12.006

Thomas, Liam 2016. Oxidation catalysis on metal particles: a theoretical study. PhD Thesis, Cardiff University.

Item availability restricted.

Thomas, John Meurig and Harris, Kenneth David Maclean

2016. Some of tomorrow's catalysts for processing renewable and non-renewable feedstocks, diminishing anthropogenic carbon dioxide and increasing the production of energy. Energy & Environmental Science 9 (3) , pp. 687-708. 10.1039/C5EE03461B

Toth, P.S., Velick, M., Bissett, M.A., Slater, T.J.A.

, Savjani, N., Rabiu, A.K., Rakowski, A.M., Brent, J.R., Haigh, S.J., O'Brien, P. and Dryfe, R.A.W. 2016. Asymmetric MoS2/Graphene/Metal sandwiches: Preparation, characterization, and application. Advanced Materials 28 (37) , pp. 8256-8264. 10.1002/adma.201600484

Troadec, Thibault, Tan, Sze-yin, Wedge, Christopher J., Rourke, Jonathan P.

, Unwin, Patrick R. and Chaplin, Adrian B. 2016. One-electron oxidation of [M((PBu3)-Bu-t)(2)] (M=Pd, Pt): isolation of monomeric [Pd((PBu3)-Bu-t)(2)](+) and redox-promoted C-H bond cyclometalation. Angewandte Chemie International Edition 55 (11) , pp. 3754-3757. 10.1002/anie.201511467

Troadec, Thibault, Tan, Sze-yin, Wedge, Christopher J., Rourke, Jonathan P.

, Unwin, Patrick R. and Chaplin, Adrian B. 2016. One-electron oxidation of [M(Pt Bu3 )2 ] (M=Pd, Pt): isolation of monomeric [Pd(Pt Bu3 )2 ]+ and redox-promoted C-H bond cyclometalation. Angewandte Chemie International Edition 55 (11) , pp. 3754-3757. 10.1002/anie.201511467

Tsitsa, Ifigenia, Tarushi, Alketa, Doukoume, Panagiota, Perdih, Franc, De Almeida, Andreia

, Papadopoulos, Athanasios, Kalogiannis, Stavros, Casini, Angela

, Turel, Iztok and Psomas, George 2016. Structure and biological activities of metal complexes of flumequine. RSC Advances 6 (23) , pp. 19555-19570. 10.1039/C5RA25776J

Turner, Matthew, Platts, James A.

and Deeth, Robert J. 2016. Modeling of platinum-aryl interaction with amyloid-β peptide. Journal of Chemical Theory and Computation 12 (3) , pp. 1385-1392. 10.1021/acs.jctc.5b01045

Ungerer, M. J.

, van Sittert, C. G. C. E., van der Westhuizen, D. J. and Krieg, H. M. 2016. Molecular modelling of tantalum penta-halides during hydrolysis and oxidation reactions. Computational and Theoretical Chemistry 1090 , pp. 112-119. 10.1016/j.comptc.2016.06.011

Vacher, Morgane, Albertani, Fabio E. A., Jenkins, Andrew J., Polyak, Iakov

, Bearpark, Michael J. and Robb, Michael A. 2016. Electron and nuclear dynamics following ionisation of modified bismethylene-adamantane. Faraday Discussions 194 , pp. 95-115. 10.1039/C6FD00067C

Van, K. N., Morrill, Louis

, Smith, A. D. and Romo, D. 2016. Catalytic generation of ammonium enolates and related tertiary amine-derived intermediates: applications, mechanism and stereochemical models (n→π*). Vedejs, E. and Denmark, S. E., eds. Lewis Base Catalysis in Organic Synthesis, Wiley, pp. 527-654. (10.1002/9783527675142.ch13)

Versace, Elisabetta, Eriksson, Anna, Rocchi, Federico, Castellan, Irene, Sgadò, Paola and Haase, Albrecht 2016. Physiological and behavioral responses in Drosophila melanogaster to odorants present at different plant maturation stages. Physiology and Behavior 163 , pp. 322-331. 10.1016/j.physbeh.2016.05.027

Villa, Alberto, Dimitratos, Nikolaos

, Chan-Thaw, Carine E., Hammond, Ceri

, Veith, Gabriel M., Wang, Di, Manzoli, Maela, Prati, Laura and Hutchings, Graham John

2016. Characterisation of gold catalysts. Chemical Society Reviews 45 (18) , pp. 4953-4994. 10.1039/C5CS00350D

Villa, Alberto, Freakley, Simon, Schiavoni, Marco, Edwards, Jennifer Kelly

, Hammond, Ceri

, Veith, Gabriel M., Wang, Wu, Wang, Di, Prati, Laura, Dimitratos, Nikolaos

2016. Depressing the hydrogenation and decomposition reaction in H2O2 synthesis by supporting gold-palladium nanoparticles on oxygen functionalized carbon nanofibers. Catalysis Science & Technology 6 , pp. 694-697. 10.1039/C5CY01880C

Vladimirova, Anna, Patskovsky, Yury, Fedorov, Alexander A., Bonanno, Jeffrey B., Fedorov, Elena V., Toro, Rafael, Hillerich, Brandan, Seidel, Ronald D., Richards, Nigel G. J.

, Almo, Steven C. and Raushel, Frank M. 2016. Substrate distortion and the catalytic reaction mechanism of 5-carboxyvanillate decarboxylase. Journal of the American Chemical Society 138 (3) , pp. 826-836. 10.1021/jacs.5b08251

Vuts, József, Woodcock, Christine M, Sumner, Mary E, Caulfield, John C, Reed, Katy, Inward, Daegan JG, Leather, Simon R, Pickett, John

, Birkett, Michael A and Denman, Sandra 2016. Responses of the two-spotted oak buprestid, Agrilus biguttatus (Coleoptera: Buprestidae), to host tree volatiles. Pest Management Science 72 (4) , pp. 845-851. 10.1002/ps.4208

Watts, Abigail E., Maruyoshi, K, Hughes, Colan Evan, Brown, S and Harris, Kenneth David Maclean

2016. Combining the advantages of powder X-ray diffraction and NMR crystallography in structure determination of the pharmaceutical material cimetidine hydrochloride. Crystal Growth and Design 16 (4) , pp. 1798-1804. 10.1021/acs.cgd.6b00016

Wenzel, Margot, De Almeida, Andreia

, Bigaeva, Emilia, Kavanagh, Paul, Picquet, Michel, Le Gendre, Pierre, Bodio, Ewen and Casini, Angela

2016. New luminescent polynuclear metal complexes with anticancer properties: toward structure-activity relationships. Inorganic Chemistry 55 (5) , pp. 2544-2557. 10.1021/acs.inorgchem.5b02910

Wilkins, Lewis C., Gunther, Benjamin A. R., Walther, Melanie, Lawson, James R., Wirth, Thomas

2016. Contrasting frustrated Lewis pair reactivity with selenium- and boron-based Lewis acids. Angewandte Chemie International Edition 55 (37) , pp. 11292-11295. 10.1002/anie.201605239

Wilkins, Lewis C., Lawson, James R., Wieneke, Philipp, Rominger, Frank, Hashmi, A. Stephen K., Hansmann, Max M. and Melen, Rebecca L.

2016. The propargyl rearrangement to functionalised allyl-boron and borocation compounds. Chemistry - a European Journal 22 (41) , pp. 14618-14624. 10.1002/chem.201602719

Wilkins, Lewis C. and Melen, Rebecca L.

2016. Enantioselective main group catalysis: modern catalysts for organic transformations. Coordination Chemistry Reviews 324 , pp. 123-139. 10.1016/j.ccr.2016.07.011

Wilkins, Lewis, Günther, Benjamin A.R., Walther, Melanie, Lawson, James, Wirth, Thomas

and Melen, Rebecca

2016. Gegensätzliche Reaktivität frustrierter Lewis-Paare mit Selen- und Bor-basierten Lewis-Säuren. Angewandte Chemie 128 (37) , pp. 11462-11465. 10.1002/ange.201605239

Willcox, Darren, Chappell, Ben G. N., Hogg, Kirsten F., Calleja, Jonas, Smalley, Adam P. and Gaunt, Matthew J. 2016. A general catalytic β-C–H carbonylation of aliphatic amines to β-lactams. Science 354 (6314) , pp. 851-857. 10.1126/science.aaf9621

Willetts, Andrew and Kelly, David 2016. Flavin-Dependent Redox Transfers by the Two-Component Diketocamphane Monooxygenases of Camphor-Grown Pseudomonas putida NCIMB 10007. Microorganisms 4 (4) , 38. 10.3390/microorganisms4040038

Williams, Eleri, Brousseau, Emmanuel

, Lavery, Nick, Mehraban, Shahin, Keast, Victoria, Hughes, Colan and Harris, Kenneth

2016. Nanosecond laser milling of the amorphous alloy Zr41.2Ti13.8Cu12.5Ni10Be22.5. Presented at: 11 th International Conference on Multi-Material Micro Manufacture (4M2016), co-organised with 10th International Workshop on Microfactories (IWMF2016), Lyngby, Denmark,, 13-15 September 2016.

Williams, Philip Andrew, Hughes, Colan Evan, Martin, Jean, Courvoisier, Emilie, Buanz, Asma B. M., Gaisford, Simon and Harris, Kenneth David Maclean

2016. Understanding the solid-state hydration behavior of a common amino acid: identification, structural characterization, and hydration/dehydration processes of new hydrate phases of l-lysine. Journal of Physical Chemistry C 120 (17) , pp. 9385-9392. 10.1021/acs.jpcc.5b12420

Wingad, Richard L., Bergström, Emilie J. E., Everett, Matthew, Pellow, Katy J. and Wass, Duncan F.

2016. Catalytic conversion of methanol/ethanol to isobutanol – a highly selective route to an advanced biofuel. Chemical Communications 52 (29) , pp. 5202-5204. 10.1039/C6CC01599A

Wirth, Thomas

and Hutchings, Matthew 2016. A simple setup for transfer hydrogenations in flow chemistry. Synlett 27 (12) , pp. 1832-1835. 10.1055/s-0035-1561624

Woodall, Christopher H., Christensen, Jeppe, Skelton, Jonathan M., Hatcher, Lauren E.

, Parlett, Andrew, Raithby, Paul R., Walsh, Aron, Parker, Stephen C., Beavers, Christine M., Teat, Simon J., Intissar, Mourad, Reber, Christian and Allan, David R. 2016. Observation of a re-entrant phase transition in the molecular complex tris(μ2-3,5-diisopropyl-1,2,4-triazolato-κ2N1:N2)trigold(I) under high pressure. IUCrJ 3 (5) , p. 376. 10.1107/S2052252516013129

Wu, Gaowei, Brett, Gemma Louise, Cao, Enhong, Constantinou, Achilleaa, Ellis, Peter, Kuhn, Simon, Hutchings, Graham John

, Bethell, Donald and Gavriilidis, Asterios 2016. Oxidation of cinnamyl alcohol using bimetallic Au-Pd/TiO2catalysts: a deactivation study in a continuous flow packed bed microreactor. Catalysis Science & Technology 6 (13) , pp. 4749-4758. 10.1039/C6CY00232C

Wu, Longfei, Dzade, Nelson Y.

, Gao, Lu, Scanlon, David O., Öztürk, Zafer, Hollingsworth, Nathan, Weckhuysen, Bert M., Hensen, Emiel J. M., de Leeuw, Nora H.

and Hofmann, Jan P. 2016. Enhanced photoresponse of FeS2 films: the role of marcasite-pyrite phase junctions. Advanced Materials 28 (43) , pp. 9602-9607. 10.1002/adma.201602222

Xu, Jun, Armstrong, Robert, Shaw, Greg, Dummer, Nicholas

, Freakley, Simon J., Taylor, Stuart H. and Hutchings, Graham John

2016. Continuous selective oxidation of methane to methanol over Cu- and Fe-modified ZSM-5 catalysts in a flow reactor. Catalysis Today 270 , pp. 93-100. 10.1016/j.cattod.2015.09.011

Xue, Zhijuan 2016. Acid-catalysed hydroamination for targeted synthesis. MPhil Thesis, Cardiff University.
Item availability restricted.

Yakabi, Keiko, Milne, Kirstie, Buchard, Antoine and Hammond, Ceri

2016. Selectivity and lifetime effects in zeolite-catalyzed Baeyer-Villiger oxidation investigated in batch and continuous flow. ChemCatChem 8 (22) , pp. 3490-3498. 10.1002/cctc.201600955

Yan, Zhen, Tomer, Ajay, Perrussel, Gaetan, Ousmane, Mohamad, Katryniok, Benjamin, Dumeignil, Franck, Ponchel, Anne, Liebens, Armin and Pera-Titus, Marc 2016. A Pd/CeO2 “H2 Pump” for the direct amination of alcohols. ChemCatChem 8 (21) , pp. 3347-3352. 10.1002/cctc.201600855

Yan, Lijun, Liu, Yangyang, Hu, Hang, Li, Hongrui, Shi, Liyi and Zhang, Dengsong 2016. Investigations on the antimony promotional effect on CeO2-WO3/TiO2 for selective catalytic reduction of NOxwith NH3. ChemCatChem 8 (13) , pp. 2267-2278. 10.1002/cctc.201600332

Yang, Jing, Zhao, Liang, Liu, Chunze, Wang, Yuanyuan and Dai, Liyi 2016. Catalytic ethanolysis and gasification of kraft lignin into aromatic alcohols and H2-rich gas over Rh supported on La2O3/CeO2?ZrO2. Bioresource Technology 218 , pp. 926-933. 10.1016/j.biortech.2016.07.052

Yang, Jing, Zhao, Liang, Liu, Shaotong, Wang, Yuanyuan and Dai, Liyi 2016. High-quality bio-oil from one-pot catalytic hydrocracking of kraft lignin over supported noble metal catalysts in isopropanol system. Bioresource Technology 212 , pp. 302-310. 10.1016/j.biortech.2016.04.029

Yang, Qian, Jones, Wilm, Wells, Peter P., Morgan, David John

, Dong, Lichun, Hu, Baoshan, Dimitratos, Nikolaos

, Dong, Mingdong, Bowker, Michael

, Besenbacher, Flemming, Su, Ren and Hutchings, Graham

2016. Exploring the mechanisms of metal co-catalysts in photocatalytic reduction reactions: Is Ag a good candidate? Applied Catalysis A: General 518 , pp. 213-220. 10.1016/j.apcata.2015.10.023

Yang, Tzuhsiung, Quesne, Matthew, Neu, Heather M., Cantú Reinhard, Fabián G., Goldberg, David P. and de Visser, Sam P. 2016. Singlet versus triplet reactivity in an Mn(V)-oxo species: testing theoretical predictions against experimental evidence. Journal of the American Chemical Society 138 (38) , pp. 12375-12386. 10.1021/jacs.6b05027

Yang, Zhou, Lu, Li, Kiely, Christopher J.

, Berger, Bryan W. and McIntosh, Steven 2016. Biomineralized CdS quantum dot nanocrystals: optimizing synthesis conditions and improving functional properties by surface modification. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 55 (43) , pp. 11235-11244. 10.1021/acs.iecr.6b03487

Yankovich, A.B., Zhang, C., Oh, A., Slater, T.J.A.

, Azough, F., Freer, R., Haigh, S.J., Willett, R. and Voyles, P.M. 2016. Non-rigid registration and non-local principle component analysis to improve electron microscopy spectrum images. Nanotechnology 27 (36) , 364001. 10.1088/0957-4484/27/36/364001

Ye, Jin-Yu, Attard, Gary Anthony, Brew, Ashley, Zhou, Zhi-Yu, Sun, Shi-Gang, Morgan, David John

2016. Explicit detection of the mechanism of platinum nanoparticle shape control by polyvinylpyrrolidone. Journal of Physical Chemistry C 120 (14) , pp. 7532-7542. 10.1021/acs.jpcc.5b10910

Yeo, Benjamin, Pudge, Geoffrey, Bugler, Keith, Rushby, Alice, Kondrat, Simon A., Bartley, Jonathan Keith

, Golunski, Stanislaw

, Gibson, E., Wells, P., Brookes, Catherine, Bowker, Michael

2016. The surface of iron molybdate catalysts used for the selective oxidation of methanol. Surface Science 648 , pp. 163-169. 10.1016/j.susc.2015.11.010

Yevglevskis, Maksims, Lee, Guat L., Sun, Jenny, Zhou, Shiyi, Sun, Xiaolong, Kociok-Köhn, Gabriele, James, Tony D., Woodman, Timothy J. and Lloyd, Matthew D. 2016. A study on the AMACR catalysed elimination reaction and its application to inhibitor testing. Organic and Biomolecular Chemistry 14 (2) , pp. 612-622. 10.1039/C5OB01541C

Zeinalipour-Yazdil, C. D., Willock, David James

, Thomas, Liam, Wilson, K. and Lee, A. F. 2016. CO adsorption over Pd nanoparticles: A general framework for IR simulations on nanoparticles. Surface Science 646 , pp. 210-220. 10.1016/j.susc.2015.07.014

Zhan, Wangcheng, He, Qian

, Liu, Xiaofei, Guo, Yanglong, Wang, Yanqin, Wang, Li, Guo, Yun, Borisevich, Albina Y., Zhang, Jinshui, Lu, Guanzhong and Dai, Sheng 2016. A sacrificial coating strategy toward enhancement of metal-support interaction for ultrastable Au nanocatalysts. Journal of the American Chemical Society 138 (49) , pp. 16130-16139. 10.1021/jacs.6b10472

Zhang, Shu Hua, Carter, Emma

, Xi, Hong-Wei, Li, Yongxin, Lim, Kok Hwa and So, Cheuk-Wai 2016. Delocalized hypervalent silyl radical supported by amidinate and imino substituents. Inorganic Chemistry 56 (2) , pp. 701-704. 10.1021/acs.inorgchem.6b02427

Zhao, Shuangliang, Zhan, Bicai, Hu, Yaofeng, Fan, Zhaoyu, Pera-Titus, Marc and Liu, Honglai 2016. Dynamics of pickering emulsions in the presence of an interfacial reaction: a simulation study. Langmuir 32 (49) , pp. 12975-12985. 10.1021/acs.langmuir.6b03046

Zhao, Xin, Huang, Lei, Li, Hongrui, Hu, Hang, Hu, Xiaonan, Shi, Liyi and Zhang, Dengsong 2016. Promotional effects of zirconium doped CeVO 4 for the low-temperature selective catalytic reduction of NO x with NH 3. Applied Catalysis B: Environmental 183 , pp. 269-281. 10.1016/j.apcatb.2015.10.052

Zhao, Xin, Huang, Lei, Namuangruk, Supawadee, Hu, Hang, Hu, Xiaonan, Shi, Liyi and Zhang, Dengsong 2016. Morphology-dependent performance of Zr-CeVO4/TiO2 for selective catalytic reduction of NO with NH3. Catalysis Science & Technology 6 (14) , pp. 5543-5553. 10.1039/C6CY00326E

Zhu, Wen, Easthon, Lindsey M., Reinhardt, Laurie A., Tu, Chingkuang, Cohen, Steven E., Silverman, David N, Allen, Karen N and Richards, Nigel G. J.

2016. Substrate binding mode and molecular basis of a specificity switch in oxalate decarboxylase. Biochemistry 85 (14) , pp. 2163-2173. 10.1021/acs.biochem.6b00043

Zhu, Wen, Wilcoxen, Jarett, Britt, R. David and Richards, Nigel G. J.

2016. Formation of hexacoordinate Mn(III) in Bacillus subtilis oxalate decarboxylase requires catalytic turnover. Biochemistry 55 (3) , pp. 429-434. 10.1021/acs.biochem.5b01340

Zivkovic, Aleksander

and Lukacevic, Igor 2016. Ferroelastic nature of high pressure phase transition in MgF2. Journal of Alloys and Compounds 682 , pp. 839-843. 10.1016/j.jallcom.2016.05.059

Zou, Peipei, Wang, Meisong, Zhao, Liang, Dai, Liyi and Wang, Yuanyuan 2016. One-step synthesis of Pt@three-dimensional graphene composite hydrogel: an efficient recyclable catalyst for reduction of 4-nitrophenol. Applied Organometallic Chemistry 30 (8) , pp. 722-725. 10.1002/aoc.3496

Ðordevic, Luka, Demitri, Nicola and Bonifazi, Davide

2016. Solvent-dependent moulding of porphyrin-based nanostructures: solid state, solution and on surface self-assembly. Supramolecular Chemistry 28 (9-10) , pp. 753-761. 10.1080/10610278.2016.1158407

2015

Abood, Amira, Al-Fahad, Ahmed, Scott, Alan, Hosny, Alaa El-Dein M. S., Hashem, Amal M., Fattah, Azza M. A., Race, Paul R., Simpson, Thomas J. and Cox, Russell J. 2015. Kinetic characterisation of the FAD dependent monooxygenase TropB and investigation of its biotransformation potential. RSC Advances 5 (62) , pp. 49987-49995. 10.1039/C5RA06693J

Adams, S.E., Robinson, E.J., Miller, David James, Rizkallah, Pierre

, Hallett, Maurice Bartlett

2015. Conformationally restricted calpain inhibitors. Chemical Science 6 (12) , pp. 6865-6871. 10.1039/c5sc01158b

Adeleye, Adegboyega Isaac, Kellici, Suela, Heil, Tobias, Morgan, David John

, Vickers, Martin and Saha, Basudeb 2015. Greener synthesis of propylene carbonate using graphene-inorganic nanocomposite catalysts. Catalysis Today 256 (2) , pp. 347-357. 10.1016/j.cattod.2014.12.032

Ahmad, Hiwa Omer 2015. Kinetics and mechanism of racemisation reactions of configurationally labile stereogenic centres in drug-like molecules in aqueous solutions; thiohydantoins and related compounds. PhD Thesis, Cardiff University.
Item availability restricted.

Ahmed, Nisar

, Shirinfar, Bahareh, Miriyala, Vijay Madhav, Choi, Seong-Kyoon, Lee, Kyeong-Min, Jeon, Won Bae, Park, Yu Shin and Nam, Hong Gil 2015. A new selective 'turn-on' small fluorescent cationic probe for recognition of RNA in cells. Supramolecular Chemistry 27 (7-8) , pp. 478-483. 10.1080/10610278.2014.989851

Akram, Adeeba 2015. The direct synthesis of hydrogen peroxide using bimetallic gold and palladium supported catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Al-Saadi, Sultan 2015. Synthesis and coordination chemistry of complexes of chelating phosphine-carbene ligands. PhD Thesis, Cardiff University.
Item availability restricted.

Alabdullah, Basil 2015. Stereoselective organoborate rearrangement reactions. PhD Thesis, Cardiff University.

Item availability restricted.

Alhumaimess, Mosaed, Lin, Zhongjie, Dummer, Nicholas

2015. Highly crystalline vanadium phosphate catalysts synthesized using poly(acrylic acid-co-maleic acid) as a structure directing agent. Catalysis Science & Technology 6 , pp. 2910-2917. 10.1039/C5CY01260K

Allemann, Rudolf Konrad

, Loveridge, Edric and Luk, Louis Yu Pan

2015. Protein motions, dynamic effects and thermal stability in dihydrofolate reductase from the hyperthermophile thermotoga maritima. Olivares-Quiroz, Luis, Guzmán-López, Orlando and Jardón-Valadez, Hector Eduardo, eds. Physical Biology of Proteins and Peptides: Theory, Experiment, and Simulation, Springer International Publishing, pp. 99-113. (10.1007/978-3-319-21687-4_6)

Altass, Hatem, Carley, Albert Frederick, Davies, Philip Rosser

and Davies, Robert J. 2015. XPS and STM studies of the oxidation of hydrogen chloride at Cu(100) surfaces. Surface Science 650 , pp. 177-186. 10.1016/j.susc.2015.12.024

Amoroso, Angelo James

2015. Using lanthanide ions in molecular bioimaging. Chemical Society Reviews 44 (14) , pp. 4723-4742. 10.1039/C4CS00293H

Angolini, Célio Fernando F., Vendramini, Pedro Henrique, Araújo, Francisca D. S., Araújo, Welington L., Augusti, Rodinei, Eberlin, Marcos N. and Gonzaga De Oliveira, Luciana 2015. Direct protocol for ambient mass dpectrometry imaging on agar culture. Analytical Chemistry 87 (13) , pp. 6925-6930. 10.1021/acs.analchem.5b01538

Aparicio-Angles, Xavier, Roldan, Alberto and de Leeuw, Nora H.

2015. Gadolinium-vacancy clusters in the (111) surface of gadolinium-doped ceria: a density functional theory study. Chemistry of Materials 27 (23) , pp. 7910-7917. 10.1021/acs.chemmater.5b02861

Armstrong, Robert, Freakley, Simon J., Forde, Michael M., Peneau, Virginie, Jenkins, Robert L., Taylor, Stuart H.

, Moulijn, Jacob, Morgan, David John

2015. Low temperature catalytic partial oxidation of ethane to oxygenates by Fe– and Cu–ZSM-5 in a continuous flow reactor. Journal of Catalysis 330 , pp. 84-92. 10.1016/j.jcat.2015.07.001

Arvanitidis, Athanasios G., Tai, Truong Ba, Nguyen, Minh Tho and Ceulemans, Arnout 2015. Quantum rules for planar boron nanoclusters. Physical Chemistry Chemical Physics 16 (34) , pp. 18311-18318. 10.1039/C4CP02323D

Asudi, George O., van den Berg, Johnnie, Midega, Charles A.O., Pittchar, Jimmy, Pickett, John A.

and Khan, Zeyaur R. 2015. Napier grass stunt disease in East Africa: Farmers' perspectives on disease management. Crop Protection 71 , pp. 116-124. 10.1016/j.cropro.2015.02.008

Attard, Gary Anthony and Brew, Ashley 2015. Cyclic voltammetry and oxygen reduction activity of the Pt{110}-(1×1) surface. Journal of Electroanalytical Chemistry 747 , pp. 123-129. 10.1016/j.jelechem.2015.04.017

Auer, Alexander A., Cap, Sébastien, Antonietti, Markus, Cherevko, Serhiy, Deng, Xiaohui, Papakonstantinou, Georgios, Sundmacher, Kai, Brüller, Sebastian, Antonyshyn, Iryna, Dimitratos, Nikolaos

, Davis, Robert J., Böhm, Karl-Heinz, Fechler, Nina, Freakley, Simon, Grin, Yuri, Gunnoe, Brent T., Haj-Hariri, Hossein, Hutchings, Graham John

, Liang, Haiwei, Mayrhofer, Karl J. J., Müllen, Klaus, Neese, Frank, Ranjan, Chinmoy, Sankar, Meenakshisundaram, Schlögl, Robert, Schüth, Ferdi, Spanos, Ioannis, Stratmann, Martin, Tüysüz, Harun, Vidakovic-Koch, Tanja, Yi, Youngmi and Zangari, Giovanni 2015. MAXNET energy - focusing research in chemical energy conversion on the electrocatlytic oxygen evolution. Green 5 (1-6) , pp. 7-21. 10.1515/green-2015-0021

Bag, Sukdev, Patra, Tuhin, Modak, Atanu, Deb, Arghya, Maity, Soham, Dutta, Uttam, Dey, Aniruddha, Kancherla, Rajesh, Maji, Arun, Hazra, Avijit, Bera, Milan and Maiti, Debabrata 2015. Remote para-C–H functionalization of arenes by a D-shaped biphenyl template-based assembly. Journal of the American Chemical Society 137 (37) , pp. 11888-11891. 10.1021/jacs.5b06793

Bähr, Alexander, Wilkins, Lewis, Ollegott, Kevin, Kariuki, Benson

2015. σ- versus π-activation of alkynyl benzoates using B(C6F5)3. Molecules 20 (3) , pp. 4530-4547. 10.3390/molecules20034530

Bahruji, Hasliza, Bowker, Michael

, Kennedy, Julia

and Morgan, David John

2015. The importance of metal reducibility for the photo-reforming of methanol on transition metal-TiO2 photocatalysts and the use of non-precious metals. International Journal of Hydrogen Energy 40 (3) , pp. 1465-1471. 10.1016/j.ijhydene.2014.11.097

Bahruji, Hasliza, Bowker, Michael

, Morton, C. A., Egerton, T. A., Kennedy, Julia

and Jones, Wilm 2015. Rutile TiO2-Pd photocatalysts for hydrogen gas production from methanol reforming. Topics in Catalysis 58 (2-3) , pp. 70-76. 10.1007/s11244-014-0346-9

Baker, Alastair

2015. Flow reactors for the continuous synthesis of garlic metabolites. PhD Thesis, Cardiff University.
Item availability restricted.

Baker, Alastair, Graz, Michael, Saunders, Robert, Evans, Gareth J. S., Pitotti, Ilaria and Wirth, Thomas

2015. Flow alkylation of thiols, phenols, and amines using a heterogenous base in a packed-bed reactor. Journal of Flow Chemistry 5 (2) , p. 65. 10.1556/1846.2015.00009

Balakit, Asim A., Ahmed, Ahmed, El-Hiti, Gamal A., Smith, Keith and Yousif, Emad 2015. Synthesis of new thiophene derivatives and their use as photostabilizers for rigid poly(vinyl chloride). International Journal of Polymer Science , 510390. 10.1155/2015/510390

Beghidja, Noureddine, Benayache, Samir, Benayache, Fadila, Knight, David William and Kariuki, Benson

2015. Crystal structure of 7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carboxylic acid. Acta Crystallographica Section E Crystallographic Communications 71 (2) , o94. 10.1107/S2056989014028254

Beghidja, Noureddine, Benayache, Samir, Benayache, Fadila, Knight, David William and Kariuki, Benson

2015. Crystal structure of pseudoguainolide. Acta Crystallographica Section E Crystallographic Communications 71 (3) , o162. 10.1107/S2056989015002510

Behrens, Karsten, Mondal, Suvendu Sekhar, Nöske, Robert, Baburin, Igor A., Leoni, Stefano

, Günter, Christina, Weber, Jens and Holdt, Hans-Jürgen 2015. Microwave-assisted synthesis of defects metal-imidazolate-amide-imidate frameworks and improved CO2 capture. Inorganic Chemistry 54 (20) , pp. 10073-10080. 10.1021/acs.inorgchem.5b01952

Belianinov, A., He, Qian

, Dziaugys, A., Maksymovych, P., Eliseev, E., Borisevich, A., Morozovska, A., Banys, J., Vysochanskii, Y. and Kalinin, S. V. 2015. CuInP2S6 room temperature layered ferroelectric. Nano Letters 15 (6) , pp. 3808-3814. 10.1021/acs.nanolett.5b00491

Belianinov, Alex, He, Qian

, Kravchenko, Mikhail, Jesse, Stephen, Borisevich, Albina and Kalinin, Sergei V. 2015. Identification of phases, symmetries and defects through local crystallography. Nature Communications 6 , 7801. 10.1038/ncomms8801

Berezin, Andrey, Sciutto, A., Demitri, N. and Bonifazi, Davide

2015. Rational synthesis of AB-type N-substituted core-functionalized naphthalene diimides (cNDIs). Organic Letters 17 (8) , pp. 1870-1873. 10.1021/acs.orglett.5b00543

Bertrand, B, Spreckelmeyer, S, Bodio, E, Cocco, Fabio, Picquet, M, Richard, P, Le Gendre, P, Orvig, C, Cinellu, M.A. and Casini, Angela

2015. Exploring the potential of gold(iii) cyclometallated compounds as cytotoxic agents: variations on the C^N theme. Dalton Transactions 44 (26) , pp. 11911-11918. 10.1039/c5dt01023c

Bertrand, Benoit, Bodio, Ewen, Richard, Philippe, Picquet, Michel, Le Gendre, Pierre and Casini, Angela

2015. Gold(I) N-heterocyclic carbene complexes with an "activable" ester moiety: possible biological applications. Journal of Organometallic Chemistry 775 , pp. 124-129. 10.1016/j.jorganchem.2014.03.020

Bertrand, Benoit, Citta, Anna, Franken, Inge L., Picquet, Michel, Folda, Alessandra, Scalcon, Valeria, Rigobello, Maria Pia, Le Gendre, Pierre, Casini, Angela

and Bodio, Ewen 2015. Gold(I) NHC-based homo- and heterobimetallic complexes: synthesis, characterization and evaluation as potential anticancer agents. Journal of Biological Inorganic Chemistry 20 (6) , pp. 1005-1020. 10.1007/s00775-015-1283-1

Bianchini, Giulio, Strukul, Giorgio, Wass, Duncan F.

and Scarso, Alessandro 2015. Photomodulable phosphines incorporating diarylethene moieties. RSC Advances 5 (14) , pp. 10795-10798. 10.1039/C4RA16127K

Biegalski, Michael D., Qiao, Liang, Gu, Yijia, Mehta, Apurva, He, Qian

, Takamura, Yayoi, Borisevich, Albina and Chen, Long-Qing 2015. Impact of symmetry on the ferroelectric properties of CaTiO3 thin films. Applied Physics Letters 106 (16) , 162904. 10.1063/1.4918805

Bonifazi, Davide

, De Leo, Federica and Magistrato, Alessandra 2015. Interfacing proteins with graphitic nanomaterials: from spontaneous attraction to tailored assemblies. Chemical Society Reviews 44 , pp. 6916-6953. 10.1039/C5CS00190K

Bonifazi, Davide

, Fasano, Francesco, Lorenzo-Garcia, M. M., Marinelli, D., Oubaha, H. and Tasseroul, J. 2015. Boron-nitrogen doped carbon scaffolding: organic chemistry, self-assembly and materials applications of borazines. Chemical Communications 51 , pp. 5222-5236. 10.1039/C5CC06611E

Booyens, Sharon, Gilbert, Lee, Willock, David

2015. The adsorption of ethene on Fe(1 1 1) and surface carbide formation. Catalysis Today 244 , pp. 122-129. 10.1016/j.cattod.2014.06.025

Borges, Lígia Miranda Ferreira, de Oliveira Filho, Jaires Gomes, Ferreira, Lorena Lopes, Louly, Carla Cristina Braz, Pickett, John A.

and Birkett, Michael A. 2015. Identification of non-host semiochemicals for the brown dog tick, Rhipicephalus sanguineus sensu lato (Acari: Ixodidae), from tick-resistant beagles, Canis lupus familiaris. Ticks and Tick-borne Diseases 6 (5) , pp. 676-682. 10.1016/j.ttbdis.2015.05.014

Borowski, T., Quesne, Matthew and Szaleniec, M. 2015. QM and QM/MM methods compared: case studies on reaction mechanisms of metalloenzymes. Advances in Protein Chemistry and Structural Biology: Combined Quantum Mechanical and Molecular Mechanical Modelling of Biomolecular Interactions, Advances in Protein Chemistry and Structural Biology, vol. 100. Amsterdam: Elsevier, pp. 187-224. (10.1016/bs.apcsb.2015.06.005)

Bosch-Navarro, Concha, Laker, Zachary P. L., Rourke, Jonathan P.

and Wilson, Neil R. 2015. Reproducible, stable and fast electrochemical activity from easy to make graphene on copper electrodes. Physical Chemistry Chemical Physics 17 (44) , pp. 29628-29636. 10.1039/C5CP04070A

Bosch-Navarro, Concha, Laker, Zachary P. L., Thomas, Helen R., Marsden, Alexander J., Sloan, Jeremy, Wilson, Neil R. and Rourke, Jonathan P.

2015. Covalently binding atomically designed Au9 clusters to chemically modified graphene. Angewandte Chemie International Edition 54 (33) , pp. 9560-9563. 10.1002/anie.201504334

Bosch-Navarro, Concha, Walker, Marc, Wilson, Neil R. and Rourke, Jonathan P.

2015. Covalent modification of exfoliated fluorographite with nitrogen functionalities. Journal of Materials Chemistry. C 3 (29) , pp. 7627-7631. 10.1039/C5TC01633A

Bowker, Michael

2015. Rules for selective oxidation exemplified by methanol selective oxidation on iron molybdate catalysts. Topics in Catalysis 58 (10-11) , pp. 606-612. 10.1007/s11244-015-0399-4

Bowker, Michael

, Bahruji, Hasliza, Kennedy, Julia

, Jones, Wilm, Hartley, Gareth and Morton, Clare 2015. The photocatalytic window: photo-reforming of organics and water splitting for sustainable hydrogen production. Catalysis Letters 145 (1) , pp. 214-219. 10.1007/s10562-014-1443-x

Bowker, Michael

, House, Matthew, Alshehri, Abdulmohsen, Brookes, Catherine, Gibson, Emma K. and Wells, Peter P. 2015. Selectivity determinants for dual function catalysts: applied to methanol selective oxidation on iron molybdate. Catalysis, Structure & Reactivity 1 (2) , pp. 95-100. 10.1179/2055075815Y.0000000002

Bowker, Michael

and Sharpe, Ryan

2015. Pd deposition on TiO2(110) and nanoparticle encapsulation. Catalysis, Structure & Reactivity 1 (3) , pp. 140-145. 10.1179/2055075815Y.0000000008

Bracamonte, M. V., Melchionna, M, Stopin, A, Giuliani, A, Tavagnacco, C, Garcia, Y, Fornasiero, P, Bonifazi, Davide

and Prato, M 2015. Carboxylated Fe-filled MWCNTs as versatile catalysts for O2 reduction and H2 evolution reactions at neutral pH. Chemistry - a European Journal 21 (36) , pp. 12769-12777. 10.1002/chem.201501144

Brew, Ashley 2015. Electrochemical studies of the oxygen reduction reaction: platinum and platinum bimetallic single crystal electrodes. PhD Thesis, Cardiff University.
Item availability restricted.

Brookes, Catherine 2015. New insights on the selective oxidation of methanol to formaldehyde on FeMo based catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Browne, Duncan L.

2015. Cluster preface: progress in organo-fluorine chemistry. Synlett 26 (01) , pp. 33-35. 10.1055/s-0034-1379721

Browne, Duncan L.

2015. Flow chemistry. Green Processing and Synthesis 4 (3) , p. 253. 10.1515/gps-2015-0027

Bruce, Toby J.A., Aradottir, Gudbjorg I., Smart, Lesley E., Martin, Janet L., Caulfield, John C., Doherty, Angela, Sparks, Caroline A., Woodcock, Christine M., Birkett, Michael A., Napier, Johnathan A., Jones, Huw D. and Pickett, John A.

2015. The first crop plant genetically engineered to release an insect pheromone for defence. Scientific Reports 5 , 11183. 10.1038/srep11183

Buckeridge, J., Catlow, Charles

and Scanlon, D. O. 2015. Determination of the nitrogen vacancy as a shallow compensating center in GaN doped with divalent metals. Physical Review Letters 114 , 016405. 10.1103/PhysRevLett.114.016405

Buckeridge, John, Butler, Keith T., Catlow, C. Richard A.

, Logsdail, Andrew J.

, Scanlon, David O., Shevlin, Stephen A., Woodley, Scott M., Sokol, Alexey A. and Walsh, Aron 2015. Polymorph engineering of TiO2: demonstrating how absolute reference potentials are determined by local coordination. Chemistry of Materials 27 (11) , pp. 3844-3851. 10.1021/acs.chemmater.5b00230

Burgess, Rebecca, Buono, Carlo, Davies, Philip R.

, Davies, Robert J.

, Legge, Thomas, Lai, Amy

, Lewis, Ryan, Morgan, David J.

, Robinson, Neil and Willock, David J.

2015. The functionalisation of graphite surfaces with nitric acid: identification of functional groups and their effects on gold deposition. Journal of Catalysis 323 , pp. 10-18. 10.1016/j.jcat.2014.12.021

Burley, Glenn A., Buurma, Niklaas J.

, Wellner, Christian, Stubinitzky, Claudia, Wagenknecht, Hans-Achim, Sinha, Indranil, Müller, Jens, Takezawa, Yusuke, Duprey, Jean-Louis and Shionoya, Mitsuhiko 2015. (Non-) covalently modified DNA with novel functions. Stults, E and Clever, G, eds. DNA in Supramolecular Chemistry and Nanotechnology, UK: Wiley-Blackwell, pp. 1-15. (10.1002/9781118696880.ch1)

Cadi-Essadek, A, Roldan Martinez, Alberto

2015. Ni deposition on yttria-stabilized ZrO2(111) surfaces: A density functional theory study. Journal of Physical Chemistry C 119 (2) , pp. 6581-6591. 10.1021/jp512594j

Campbell, Craig D., Joannesse, Caroline, Morrill, Louis

, Philp, Douglas and Smith, Andrew D. 2015. Regiodivergent Lewis base-promoted O- to C-carboxyl transfer of furanyl carbonates. Organic & Biomolecular Chemistry 13 (10) , pp. 2895-2900. 10.1039/C4OB02629B

Cao, Yeuling, Liu, Xi, Iqbal, Sarwat, Miedziak, Peter John, Edwards, Jennifer Kelly

, Armstrong, Robert, Morgan, David John

, Wang, Junwei and Hutchings, Graham John

2015. Base-free oxidation of glucose to gluconic acid using supported gold catalysts. Catalysis Science & Technology 6 , pp. 107-117. 10.1039/C5CY00732A

Caricato, M., Deforge, A., Bonifazi, Davide

, Dondi, D., Mazzanti, Andrea and Pasini, Dario 2015. Chiral nanostructuring of multivalent macrocycles in solution and on surfaces. Organic & Biomolecular Chemistry 13 , pp. 3593-3601. 10.1039/c4ob02643h

Carpenter, Barry K.

2015. Beauty in simplicity: celebrating 50 years of the Woodward-Hoffmann rules. The Journal of Organic Chemistry 80 (23) , p. 11630. 10.1021/acs.joc.5b02469

Carpenter, Barry K.

, Harvey, Jeremy N. and Glowacki, David R. 2015. Prediction of enhanced solvent-induced enantioselectivity for a ring opening with a bifurcating reaction path. Physical Chemistry Chemical Physics 17 (13) , pp. 8372-8381. 10.1039/C4CP05078A

Carter, Emma

and Murphy, Damien

2015. Homogeneous catalytic transformations investigated by EPR spectroscopy. Gilbert, Bruce C., Chechik, Victor and Murphy, Damien, eds. Electron Paramagnetic Resonance, Vol. 24. Royal Society of Chemistry, pp. 148-193. (10.1039/9781782620280-00148)

Carter, Emma

2015. The role of low valent transition metal complexes in homogeneous catalysis: an EPR investigation. Topics in Catalysis 58 (12-13) , pp. 759-768. 10.1007/s11244-015-0417-6

Carter, Emma

, Sharples, Katherine Mary, Platts, James Alexis

2015. Structure determination of bound nitrogen-based adducts with copper(ii) acetylacetonato; an EPR, ENDOR and DFT study. Physical Chemistry Chemical Physics 17 (17) , pp. 11445-11454. 10.1039/C5CP00559K

Carter, Korey P., Zulato, Cecília H. F., Rodrigues, Emille M., Pope, Simon J. A.

, Sigoli, Fernando A. and Cahill, Christopher L. 2015. Controlling dimensionality via a dual ligand strategy in Ln-thiophene-2,5-dicarboxylic acid-terpyridine coordination polymers. Dalton Transactions 44 (36) , pp. 15843-15854. 10.1039/C5DT02596F

Carvalho, Alexandra T. P., Gouveia, Leonor, Kanna, Charan Raju, Wärmländer, Sebastian K T S, Platts, James Alexis

and Kamerlin, Shina Caroline Lynn 2015. Understanding the structural and dynamic consequences of DNA epigenetic modifications: Computational insights into cytosine methylation and hydroxymethylation. Epigenetics 9 (12) , pp. 1604-1612. 10.4161/15592294.2014.988043

Carvalho, Alexandra Teresa Pires, Gouveia, Maria Leonor, Raju Kanna, Charan, Wärmländer, Sebastian K. T. S., Platts, James Alexis

and Kamerlin, Shina Caroline Lynn 2015. Theoretical modelling of epigenetically modified DNA sequences. F1000Research 4 , 52. 10.12688/f1000research.6148.1

Catlow, Charles Richard

2015. Synchrotron radiation techniques in materials and environmental science. Philosophical Transactions- Royal Society of London Series a Mathematical Physical and Engineering Sciences 373 (2036) , 20130162. 10.1098/rsta.2013.0162

Catlow, Charles Richard

2015. Recent developments in the structural science of materials. IUCrJ 2 (4) , pp. 384-386. 10.1107/S2052252515010891

Catlow, Charles Richard

, Buckeridge, J., Scanlon, D.O., Keal, T.W., Sherwood, P., Miskufova, M., Walsh, A., Woodley, S.M. and Sokol, A.A. 2015. Comment on "Determination of the Nitrogen Vacancy as a Shallow Compensating Center in GaN Doped with Divalent Metals" Reply [Letter]. Physical Review Letters 115 (2) , 029702. 10.1103/PhysRevLett.115.029702

Catlow, Charles

2015. Modelling and predicting crystal structures. Interdisciplinary Science Reviews 40 (3) , pp. 294-307. 10.1179/0308018815Z.000000000119

Ceulemans, Arnout and Arvanitidis, Athanasios G. 2015. Directed graphs and induced magnetic multipoles in polycyclic hydrocarbons. Bulletin of the Chemical Society of Japan 88 (11) , pp. 1553-1560. 10.1246/bcsj.20150135

Chan-Thaw, Carine E., Chinchilla, Lidia E., Campisi, Sebastian, Botton, Gianluigi A., Prati, Laura, Dimitratos, Nikolaos

and Villa, Alberta 2015. AuPt alloy on TiO2: a selective and durable catalyst for L-sorbose oxidation to 2-keto-gulonic acid. ChemSusChem 8 (24) , pp. 4189-4194. 10.1002/cssc.201501202

Chaopradith, Dominic T., Scanlon, David O. and Catlow, Charles Richard

2015. Adsorption of water on yttria-stabilized zirconia. Journal of Physical Chemistry C 119 (39) , pp. 22526-22533. 10.1021/acs.jpcc.5b06825

Chen, Hsin-Yi Tiffany, Wang, Chao, Wu, Xiaofeng and Catlow, Charles Richard

2015. Iridicycle-catalysed imine reduction: an experimental and computational study of the mechanism. Chemistry: A European Journal 21 (46) , pp. 16564-16577. 10.1002/chem.201501074

Cheng, Ziyang 2015. Benzyl alcohol oxidation using in situ generated hydrogen peroxide from hydrogen and oxygen. MPhil Thesis, Cardiff University.

Item availability restricted.

Choi, Miri, Lin, Chungwei, Butcher, Matthew, Rodriguez, Cesar, He, Qian

, Posadas, Agham B., Borisevich, Albina Y., Zollner, Stefan and Demkov, Alexander A. 2015. Quantum confinement in transition metal oxide quantum wells. Applied Physics Letters 106 (19) , 192902. 10.1063/1.4921013

Clarke, Tomos J.

, Davies, Thomas, Kondrat, Simon A. and Taylor, Stuart H.

2015. Mechanochemical synthesis of copper manganese oxide for the ambient temperature oxidation of carbon monoxide. Applied Catalysis B: Environmental 165 , pp. 222-231. 10.1016/j.apcatb.2014.09.070

Clarke, Tomos J.

2015. Preparation of copper manganese oxide catalysts and their application for oxidation reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Clarke, Tomos J.

, Kondrat, Simon A. and Taylor, Stuart H.

2015. Total oxidation of naphthalene using copper manganese oxide catalysts. Catalysis Today 258 (2) , pp. 610-615. 10.1016/j.cattod.2015.01.032

Clary, David C., Knowles, Peter James

and Tozer, David J. 2015. Nicholas Charles Handy. 17 June 1941 — 2 October 2012. Biographical Memoirs of Fellows of the Royal Society , rsbm20150002. 10.1098/rsbm.2015.0002

Collier, T. A., Nash, A, Birch, H. L. and de Leeuw, Nora

2015. Preferential sites for intramolecular glucosepane cross-link formation in type I collagen: A thermodynamic study. Matrix Biology 48 , pp. 78-88. 10.1016/j.matbio.2015.06.001

Collier, T., Nash, A., Lopez-Clavijo, A. F., Bozec, L., Birch, H. L. and de Leeuw, Nora

2015. The thermodynamic identification of glucosepane cross-linking in type I collagen - an all atom molecular dynamics study [Abstract]. International Journal of Experimental Pathology 96 (2) , A11-A12.

Conejos-Sanchez, Inmaculada, Cardoso, Isabel, Oteo-Vives, Marta, Romero-Sanz, Eduardo, Paul, Alison

, Ruiz Sauri, Amparo, Morcillo, Miguel A., Saraiva, Maria J. and Vicent, María J. 2015. Polymer-doxycycline conjugates as fibril disrupters: An approach towards the treatment of a rare amyloidotic disease. Journal of Controlled Release 198 , pp. 80-90. 10.1016/j.jconrel.2014.12.003

Conrad, Sabrina, Verel, René, Hammond, Ceri

, Wolf, Patrick, Göltl, Florian and Hermans, Ive 2015. Silica-grafted SnIV catalysts in hydrogen-transfer reactions. ChemCatChem 7 (20) , pp. 3270-3278. 10.1002/cctc.201500630

Conrad, Sabrina, Verel, René, Hammond, Ceri

, Wolf, Patrick, Göltl, Florian and Hermans, Ive 2015. Cover picture: silica-grafted SnIV catalysts in hydrogen-transfer reactions (ChemCatChem 20/2015). ChemCatChem 7 (20) , p. 3188. 10.1002/cctc.201501018

Constantinides, Christos P., Zissimou, Georgia A., Berezin, Andrey A., Ioannou, Theodosia A., Manoli, Maria, Tsokkou, Demetra, Theodorou, Eleni, Hayes, Sophia C. and Koutentis, Panayiotis A. 2015. Tetraphenylhexaazaanthracenes: 16π weakly antiaromatic species with singlet ground states. Organic Letters 17 (16) , pp. 4026-4029. 10.1021/acs.orglett.5b01923

Constantinou, Achilleas, Wu, Gaowei, Corredera, Albert, Ellis, Peter, Bethell, Donald, Hutchings, Graham John

, Kuhn, Simon and Gavriilidis, Asterios 2015. Continuous heterogeneously catalyzed oxidation of benzyl alcohol in a ceramic membrane packed-bed reactor. Organic Process Research and Development 19 (12) , pp. 1973-1979. 10.1021/acs.oprd.5b00220

Coogan, Michael P and Pope, Simon J A

2015. Application of d- and f-block fluorescent cell imaging agents. Long, N and Wong, W, eds. The Chemistry of Molecular Imaging, USA: Wiley-Blackwell, pp. 275-298. (10.1002/9781118854754.ch12)

Cooper, C. S., Oldman, R. J. and Catlow, Charles Richard

2015. Oxidative methane activation over yttrium stabilised zirconia. Chemical Communications- Royal Society of Chemistry 51 (27) , pp. 5856-5859. 10.1039/C4CC09010A

Craco, L., Selli, D., Seifert, G. and Leoni, S.

2015. Revealing the hidden correlated electronic structure of strained graphene. Physical Review B 91 (20) , 205120. 10.1103/PhysRevB.91.205120

Craco, Luis and Leoni, Stefano

2015. Magnetoresistance in the spin-orbit kondo state of elemental bismuth. Scientific Reports 5 (1) , -. 10.1038/srep13772

Cruz, Pedro L. R. da, Giarola, Leila R., Moraes, Suellen da Silva, Silva, Déborah Ellen S. G. Da, Marcon, Joelma, Azevedo, João L., Araújo, Welington L. and Gonzaga De Oliveira, Luciana 2015. Metabolic screening for PKS and NRPS in endophytic actinobacteria from Citrus reticulata. QUIMICA NOVA 38 (3) , pp. 333-341. 10.5935/0100-4042.20150010

Cui, Xinjiang, Yuan, Hangkong, Li, Jerry-Peng, De Campo, Floryan, Pera-Titus, Marc, Deng, Youquan and Shi, Feng 2015. Novel route for the synthesis of 8-oxa-3-azabicyclo[3.2.1]octane: One-pot aminocyclization of 2,5-tetrahydrofurandimethanol catalyzed by Pt/NiCuAlOx. Catalysis Communications 58 , pp. 195-199. 10.1016/j.catcom.2014.09.027

Das, N. K. and de Leeuw, Nora

2015. Density functional theory study of the effect of helium clusters on tritium-containing palladium lattices. Journal of Physics: Condensed Matter 27 (47) , 475002. 10.1088/0953-8984/27/47/475002

Daum, Steffen, Chekhun, Vasiliy F., Todor, Igor N., Lukianova, Natalia Yu, Shvets, Yulia V., Sellner, Leopold, Putzker, Kerstin, Lewis, Joe, Zenz, Thorsten, de Graaf, Inge A. M., Groothuis, Geny M. M., Casini, Angela

, Zozulia, Oleksii, Hampel, Frank and Mokhir, Andriy 2015. Improved synthesis of N-benzylaminoferrocene-based prodrugs and evaluation of their toxicity and antileukemic activity. Journal of Medicinal Chemistry 58 (4) , pp. 2015-2024. 10.1021/jm5019548

Davies, Thomas E., Kondrat, Simon A., Nowicka, Ewa

, Graham, James J., Apperley, David C., Taylor, Stuart H.

and Graham, Andrew E. 2015. Dehydrative etherification reactions of glycerol with alcohols catalyzed by recyclable nanoporous aluminosilicates: telescoped routes to glyceryl ethers. ACS Sustainable Chemistry & Engineering 4 (3) , pp. 835-843. 10.1021/acssuschemeng.5b00894

Davies, Thomas E., Kondrat, Simon A., Nowicka, Ewa

, Kean, Joseline L., Harris, Christopher M., Socci, Joseph, Apperley, David C., Taylor, Stuart H.

and Graham, Andrew E. 2015. Nanoporous alumino- and borosilicate-mediated Meinwald rearrangement of epoxides. Applied Catalysis A: General 493 , pp. 17-24. 10.1016/j.apcata.2014.12.031

Davis, Charles Stuart 2015. Core-shell nanoparticle models for in-situ SERS measurements of carbonate dissolution under environmentally realistic conditions. PhD Thesis, Cardiff University.

Item availability restricted.

Deadman, Benjamin J., Browne, Duncan L.

, Baxendale, Ian R. and Ley, Steven V. 2015. Back pressure regulation of slurry-forming reactions in continuous flow. Chemical Engineering & Technology 38 (2) , pp. 259-264. 10.1002/ceat.201400445

Delarmelina, Maicon

, Daltoé, Renata D., Cerri, Murilo F., Madeira, Klesia P., Rangel, Leticia B. A., Lacerda Júnior, Valdemar, Romão, Wanderson, Taranto, Alex G. and Greco, Sandro J. 2015. Synthesis, antitumor activity and docking of 2,3-(substituted)-1,4-naphthoquinone derivatives containing nitrogen, oxygen and sulfur. Journal of the Brazilian Chemical Society 26 (9) , pp. 1804-1816. 10.5935/0103-5053.20150157

Della Vecchia, N.F, Marega, R, Ambrico, M, Iacomino, M, Micillo, R, Napolitano, A, Bonifazi, Davide

and d'Ischia, M 2015. Tailoring melanins for bioelectronics: polycysteinyldopamine as ion conducting redox-responsive polydopamine variant for pro-oxidant thin films. Journal of Material Chemistry C 3 , pp. 6525-6531. 10.1039/C5TC00672D

Dimitratos, Nikolaos

, Hammond, Ceri

and Wells, Peter P. 2015. Liquid phase oxidation using Au-based catalysts. Prati, Laura and Villa, Alberto, eds. Gold Catalysis: Preparation, Characterization and Applications, Pan Stanford, pp. 341-388.

Dimitratos, Nikolaos

, Hammond, Ceri

and Wells, Peter 2015. Liquid-phase oxidation using au-based catalysts. Prati, L and Villa, A, eds. Gold Catalysis: Preparation, Characterization, and Applications, USA: Pan Stanford, pp. 341-376. (10.1201/b19911-13)

Dimitratos, Nikolaos

, Villa, Alberto, Prati, Laura, Hammond, Ceri

, Chan-Thaw, Carine E., Cookson, James and Bishop, Peter T. 2015. Effect of the preparation method of supported Au nanoparticles in the liquid phase oxidation of glycerol. Applied Catalysis A: General 514 , pp. 267-275. 10.1016/j.apcata.2015.12.031

Dlamini, Mbongiseni W., Kumi, David O., Phaahlamohlaka, Tumelo N., Lyadov, Anton S., Billing, David G., Jewell, Linda L. and Coville, Neil J. 2015. Carbon spheres prepared by hydrothermal synthesis-A support for bimetallic iron cobalt Fischer-Tropsch catalysts. ChemCatChem 7 (18) , pp. 3000-3011. 10.1002/cctc.201500334

Dlamini, W.M., Coville, N.J. and Scurrell, M.S. 2015. Microwave radiation in the modification of iron Fischer-Tropsch catalysts. Journal of Molecular Catalysis A: Chemical 409 , pp. 19-25. 10.1016/j.molcata.2015.06.014

Draksharapu, A., Angelone, D., Quesne, Matthew, Padameti, S..K., Gomez, L., Hague, R., Costas, M., Browne, W. and De Visser, S. P 2015. Identification and spectroscopic characterization of nonheme iron(III) hypochlorite intermediates. Angewandte Chemie -International Edition in English- 54 (14) , pp. 4357-4361. 10.1002/anie.201411995

Dros, A. B., Larue, O., Reimond, A., De Campo, F. and Pera-Titus, M. 2015. Hexamethylenediamine (HMDA) from fossil- vs. bio-based routes: an economic and life cycle assessment comparative study. Green Chemistry 17 (10) , pp. 4760-4772. 10.1039/C5GC01549A

Du, Jonathan J., Váradi, Linda, Tan, Jinlong, Zhao, Yiliang, Groundwater, Paul W., Platts, James Alexis

and Hibbs, David E. 2015. Correction: Experimental and theoretical charge density distribution in Pigment Yellow 101. Physical Chemistry Chemical Physics 17 (9) , p. 6667. 10.1039/C5CP90018B

Durust, Yasar, Ozer, Besra and Kariuki, Benson

2015. Synthesis and crystal structure of new heterocyles derived from saccharin and uracil carrying 1,2,4-oxadiazolylmethyl group. Molecular Diversity 19 (2) , pp. 213-230. 10.1007/s11030-015-9577-3

Duss, Michael, Capolicchio, Samanta, Linden, Anthony, Ahmed, Nisar

and Jessen, Henning J. 2015. Desymmetrization of myo-inositol derivatives by lanthanide catalyzed phosphitylation with C2-symmetric phosphites. Bioorganic & Medicinal Chemistry 23 (12) , pp. 2854-2861. 10.1016/j.bmc.2015.03.023

Dzade, Nelson Y.

2015. Activation and dissociation of CO2 on the (001), (011), and (111) surfaces of mackinawite (FeS): a dispersion-corrected DFT study. Journal of Chemical Physics 143 (9) , 94703. 10.1063/1.4929470

Edwards, Richard, Westwell, Andrew D.

, Daniels, Stephen and Wirth, Thomas

2015. Convenient synthesis of diaryliodonium salts for the production of [18F]F-DOPA. European Journal of Organic Chemistry 2015 (3) , pp. 625-630. 10.1002/ejoc.201403378

Edwards, Richard 2015. Synthesis of [18F]F-DOPA using hypervalent iodine compounds. PhD Thesis, Cardiff University.

Item availability restricted.

Edwards, Jennifer Kelly

, Freakley, Simon J., Lewis, Richard J., Pritchard, James C. and Hutchings, Graham John

2015. Advances in the direct synthesis of hydrogen peroxide from hydrogen and oxygen. Catalysis Today 248 , pp. 3-9. 10.1016/j.cattod.2014.03.011

Edwards, Richard, de Vries, Wilke, Westwell, Andrew D.

, Daniels, Stephen and Wirth, Thomas

2015. Solid-supported iodonium salts for fluorinations. European Journal of Organic Chemistry 2015 (31) , pp. 6909-6916. 10.1002/ejoc.201500992

Edwards, Richard and Wirth, Thomas

2015. [18F]6-fluoro-3,4-dihydroxy-l-phenylalanine - recent modern syntheses for an elusive radiotracer. Journal of Labelled Compounds and Radiopharmaceuticals 58 (5) , pp. 183-187. 10.1002/jlcr.3285

El-Hiti, Gamal A., Smith, Keith and Hegazy, Amany S. 2015. Catalytic, green and regioselective friedel-crafts acylation of simple aromatics and heterocycles over zeolites. Current Organic Chemistry 19 (7) , pp. 585-598. 10.2174/1385272819666150211002257

El-Hiti, Gamal A., Smith, Keith and Hegazy, Amany S. 2015. Directed lithiation and substitution of pyridine derivatives. Heterocycles 91 (3) , pp. 479-504.

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Ajarim, Mansour D. and Kariuki, Benson

2015. Crystal structure of 2-(3-nitrophenyl)-1,3-thiazolo[4,5-b]pyridine. Acta Crystallographica Section E Crystallographic Communications 71 (11) , o877. 10.1107/S2056989015019118

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Ajarim, Mansour D. and Kariuki, Benson

2015. Crystal structure of 2-cyclohexyl-1,3-thiazolo[4,5-b]pyridine. Acta Crystallographica Section E Crystallographic Communications 71 (11) , o866. 10.1107/S2056989015019106

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alanazi, Saud A. and Kariuki, Benson

2015. Crystal structure of 2,2-dimethyl-N-(pyridin-3-yl)propanamide. Acta Crystallographica Section E Crystallographic Communications 71 (4) , o246-0247. 10.1107/S2056989015005289

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alanazi, Saud A. and Kariuki, Benson

2015. Crystal structure of 2-(1-methylethyl)-1,3-thiazolo[4,5-b]pyridine. Acta Crystallographica Section E Crystallographic Communications 71 (5) , o272-o273. 10.1107/S2056989015006039

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alanazi, Saud A. and Kariuki, Benson

2015. Crystal structure of 2-(2-methylphenyl)-1,3-thiazolo[4,5-b]pyridine. Acta Crystallographica Section E Crystallographic Communications 71 (8) , o562-0563. 10.1107/S2056989015012797

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alanazi, Saud A. and Kariuki, Benson

2015. Crystal structure of 2,2-dimethyl-N-(5-methylpyridin-2-yl)propanamide. Acta Crystallographica Section E Crystallographic Communications 71 (6) , o419-o420. 10.1107/S2056989015009378

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alanazi, Saud A. and Kariuki, Benson

2015. Crystal structure of 3-amino-2-propylquinazolin-4(3H)-one. Acta Crystallographica Section E Crystallographic Communications E71 (8) , o590-o591. 10.1107/S2056989015013134

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B.

and Masmali, Ali M. 2015. Directed lithiation of simple aromatics and heterocycles for synthesis of substituted derivatives. Arkivoc 2015 , pp. 19-48. 10.3998/ark.5550190.p008.744

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Baashen, Mohammed and Kariuki, Benson

2015. Crystal structure of 3-amino-2-ethylquinazolin-4(3H)-one. Acta Crystallographica Section E Crystallographic Communications 71 (9) , o650-o651. 10.1107/S2056989015014450

Elliott, Mark Christopher

and Saleh, Basil A. 2015. Synthesis by substitution of metals. Aitken, R. A., Nielsen, M. B., Drabowicz, J., Li, J. J., Plietker, B. J. and Wirth, T., eds. Science of Synthesis Knowledge Updates 2015/2, Thieme, pp. 391-398.

Eschemann, Thomas O., Lamme, Wouter S., Manchester, Rene L., Parmentier, Tanja E., Cognigni, Andrea, Rønning, Magnus and de Jong, Krijn P. 2015. Effect of support surface treatment on the synthesis, structure, and performance of Co/CNT Fischer-Tropsch catalysts. Journal of Catalysis 328 , pp. 130-138. 10.1016/j.jcat.2014.12.010

Et-Tarhouni, Zaineb 2015. Engineering mixed surfactant systems to template hierarchical nanoporous materials. PhD Thesis, Cardiff University.

Item availability restricted.

Everitt, D T, Coope, T S, Trask, R S, Wass, D F

and Bond, I P 2015. Application of a silver-olefin coordination polymer as a catalytic curing agent for self-healing epoxy polymers. Smart Materials and Structures 24 (5) , 055004. 10.1088/0964-1726/24/5/055004

Everitt, Daniel T., Luterbacher, Rafael, Coope, Tim S., Trask, Richard S., Wass, Duncan F.

and Bond, Ian P. 2015. Optimisation of epoxy blends for use in extrinsic self-healing fibre-reinforced composites. Polymer 69 , pp. 283-292. 10.1016/j.polymer.2015.02.047

Fang, L., Vidal-Iglesias, F. J., Huxter, S. E., Attard, Gary Anthony and Wells, P. B. 2015. RhPt/graphite catalysts for CO electrooxidation: Performance of mixed metal and alloyed surfaces. Surface Science 631 , pp. 258-266. 10.1016/j.susc.2014.06.026

Fang, Wenhao, Wang, Sheng, Liebens, Armin, De Campo, Floryan, Xu, Hualong, Shen, Wei, Pera-Titus, Marc and Clacens, Jean-Marc 2015. Silica-immobilized Aquivion PFSA superacid: application to heterogeneous direct etherification of glycerol with n-butanol. Catalysis Science and Technology 5 (8) , pp. 3980-3990. 10.1039/C5CY00534E

Fang, Cheng, Shi, Liyi, Hu, Hang, Zhang, Jianping and Zhang, Dengsong 2015. Rational design of 3D hierarchical foam-like Fe2O3@CuOxmonolith catalysts for selective catalytic reduction of NO with NH3. RSC Advances 5 (15) , pp. 11013-11022. 10.1039/C4RA14735A

Faponle, A. S, Quesne, Matthew, Sastri, C. V, Banse, F. and De visser, S. P 2015. Differences and comparisons of the properties and reactivities of iron(III)–hydroperoxo complexes with saturated coordination sphere. Chemistry - a European Journal 21 (3) , pp. 1221-1236. 10.1002/chem.201404918

Fechete, I., Guisnet, M., Pradier, C. M., Essayem, N., Hoelderich, Hutchings, Graham

and Garin, F. 2015. Preface to the special issue "Nanocatalysis science: Preparation, characterization and reactivity", honoring Jacques C. Védrine. Applied Catalysis A: General 504 , pp. 1-3. 10.1016/j.apcata.2015.05.009

Fernández-Grandon, G. Mandela, Gezan, Salvador A., Armour, John A. L., Pickett, John

and Logan, James G. 2015. Heritability of attractiveness to mosquitoes. PLoS ONE 10 (4) , e0122716. 10.1371/journal.pone.0122716

Ferreira, Rafael de Queiroz, Greco, Sandro José, Delarmelina, Maicon

and Weber, Karen Cacilda 2015. Electrochemical quantification of the structure/antioxidant activity relationship of flavonoids. Electrochimica Acta 163 , pp. 161-166. 10.1016/j.electacta.2015.02.164

Folda, A, Scalcon, V, Ghazzali, M, Jaafar, M. H., Khan, R. A., Casini, Angela

, Citta, A, Bindoli, A, Rigobello, M. P., Al-Farhan, K, Alsalme, A and Reedijk, J 2015. Insights into the strong in-vitro anticancer effects for bis(triphenylphosphane)iminium compounds having perchlorate, tetrafluoridoborate and bis(chlorido)argentate anions. Journal of Inorganic Biochemistry 153 , pp. 346-354. 10.1016/j.jinorgbio.2015.08.030

Folli, Andrea

, Bloh, Jonathan Z., Lecaplain, Anaïs, Walker, Rebecca and Macphee, Donald E. 2015. Properties and photochemistry of valence-induced-Ti3+ enriched (Nb,N)-codoped anatase TiO2 semiconductors. Physical Chemistry Chemical Physics 17 (7) , pp. 4849-4853. 10.1039/C4CP05521G

Folli, Andrea

, Strøm, Michael, Madsen, Thomas Pilegaard, Henriksen, Trine, Lang, Jan, Emenius, Johan, Klevebrant, Tore and Nilsson, Åsa 2015. Field study of air purifying paving elements containing TiO2. Atmospheric Environment 107 , pp. 44-51. 10.1016/j.atmosenv.2015.02.025

Foo, Rodney, Vazhnova, Tanya, Lukyanov, Dmitry B., Millington, Paul, Collier, Jillian, Rajaram, Raj and Golunski, Stanislaw E.

2015. Formation of reactive Lewis acid sites on Fe/WO3-ZrO2 catalysts for higher temperature SCR applications. Applied Catalysis B: Environmental 162 , pp. 174-179. 10.1016/j.apcatb.2014.06.034

Foroutan, F., de Leeuw, Nora

, Martin, R. A., Palmer, G., Owens, G. J., Kim, H- W. and Knowles, J. C. 2015. Novel sol–gel preparation of (P2O5)0.4–(CaO)0.25–(Na2O)X–(TiO2)(0.35−X) bioresorbable glasses (X = 0.05, 0.1, and 0.15). Journal of Sol-Gel Science and Technology 73 (2) , pp. 434-442. 10.1007/s10971-014-3555-6

Foroutan, Farzad, Walters, Nick J., Owens, Gareth J., Mordan, Nicola J., Kim, Hae-Won, de Leeuw, Nora

and Knowles, Jonathan C. 2015. Sol-gel synthesis of quaternary (P2O5)(55)-(CaO)(25)-(Na2O)((20-x))-(TiO2)(x) bioresorbable glasses for bone tissue engineering applications (x=0, 5, 10, or 15). Biomedical Materials 10 (4) , 045025.

Foroutan, Farzad, Walters, Nick J., Owens, Gareth J, Mordan, Nicola J, Kim, Hae-Won, De Leeuw, Nora H.

and Knowles, Jonathan C 2015. Sol–gel synthesis of quaternary (P2O5)55–(CaO)25–(Na2O)(20−x) –(TiO2)x bioresorbable glasses for bone tissue engineering applications (x = 0, 5, 10, or 15). Biomedical Materials 10 (4) , 045025. 10.1088/1748-6041/10/4/045025

Forrest, Sebastian J. K., Clifton, Jamie, Fey, Natalie, Pringle, Paul G., Sparkes, Hazel A. and Wass, Duncan F.

2015. Cooperative Lewis pairs based on late transition metals: activation of small molecules by platinum(0) and B(C6F5)3. Angewandte Chemie International Edition 54 (7) , pp. 2223-2227. 10.1002/anie.201409872

Freakley, Simon J., Lewis, Richard J., Morgan, David John

2015. Direct synthesis of hydrogen peroxide using Au-Pd supported and ion-exchanged heteropolyacids precipitated with various metal ions. Catalysis Today 248 , pp. 10-17. 10.1016/j.cattod.2014.01.012

Freelon, B., Liu, Yu Hao, Chen, Jeng-Lung, Craco, L., Laad, M. S., Leoni, S.

, Chen, Jiaqi, Tao, Li, Wang, Hangdong, Flauca, R., Yamani, Z., Fang, Minghu, Chang, Chinglin, Guo, J.-H. and Hussain, Z. 2015. Mott-Kondo insulator behavior in the iron oxychalcogenides. Physical Review B 92 (15) , 155139. 10.1103/PhysRevB.92.155139

Gandarias Goikoetxea, Inaki, Miedziak, Peter John, Nowicka, Ewa

, Douthwaite, Mark, Morgan, David John

2015. Selective oxidation of n-butanol using gold-palladium supported nanoparticles under base-free conditions. Chemsuschem 8 (3) , pp. 473-480. 10.1002/cssc.201403190

Garcia, Tomas, Agouram, Said, Taylor, Stuart H.

, Dejoz, Ana, Vázquez, Isabel and Solsona, Benjamin 2015. Total oxidation of propane in vanadia-promoted platinum-alumina catalysts: Influence of the order of impregnation. Catalysis Today 254 , pp. 12-20. 10.1016/j.cattod.2015.01.038

Gascon, J., van Ommen, J.R., Moulijn, Jacob and Kapteijn, F 2015. Structuring catalyst and reactor - an inviting avenue to process intensification. Catalysis Science & Technology 5 (2) , pp. 807-817. 10.1039/C4CY01406E

Gawel, Przemyslaw, Wu, Yi-Lin

, Finke, Aaron D., Trapp, Nils, Zalibera, Michal, Boudon, Corinne, Gisselbrecht, Jean-Paul, Schweizer, W. Bernd, Gescheidt, Georg and Diederich, François 2015. Push-pull buta-1,2,3-trienes: Exceptionally low rotational barriers of cumulenic C=C bonds and proacetylenic reactivity. Chemistry - A European Journal 21 (16) , pp. 6215-6225. 10.1002/chem.201406583

Georgiadis, Millie M., Singh, Isha, Kellett, Whitney F., Hoshika, Shuichi, Benner, Steven A. and Richards, Nigel G. J.

2015. Structural basis for a six nucleotide genetic alphabet. Journal of the American Chemical Society 137 (21) , pp. 6947-6955. 10.1021/jacs.5b03482

Gibson, Emma K., Beale, Andrew M., Catlow, Charles Richard

, Chutia, Arunabhiram, Gianolio, Diego, Gould, Anna, Kroner, Anna, Mohammed, Khaled M. H., Perdjon, Michal

, Rogers, Scott M. and Wells, Peter P. 2015. Restructuring of AuPd nanoparticles studied by a combined XAFS/DRIFTS approach. Chemistry of Materials 27 (10) , pp. 3714-3720. 10.1021/acs.chemmater.5b00866

Gotze, S., Reinhardt, A., Geissner, A., Azzouz, N., Tsai, Yu-Hsuan

, Kurucz, R., Varon Silva, D. and Seeberger, P. H. 2015. Investigation of the protective properties of glycosylphosphatidylinositol-based vaccine candidates in a toxoplasma gondii mouse challenge model. Glycobiology 25 (9) , pp. 984-991. 10.1093/glycob/cwv040

Gould, Anna L., Kadkhodazadeh, Shima, Wagner, Jakob B., Catlow, Charles Richard

, Logsdail, Andrew

and Di Vece, Marcel 2015. Understanding the thermal stability of silver nanoparticles embedded in a-Si. Journal of Physical Chemistry C 119 (41) , pp. 23767-23773. 10.1021/acs.jpcc.5b07324

Gould, Anna L, Logsdail, Andrew

and Catlow, Charles Richard

2015. Influence of composition and chemical arrangement on the kinetic stability of 147-atom Au-Ag bimetallic nanoclusters. Journal of Physical Chemistry C 119 (41) , pp. 23685-23697. 10.1021/acs.jpcc.5b03577

Grundy, Daniel John 2015. Expanding the terpenome: complementary approaches to novel terpenoids. PhD Thesis, Cardiff University.
Item availability restricted.

Gupta, Upendra N., Jenkins, Robert Leyshon, Dummer, Nicholas Frank

, Bethell, Donald and Hutchings, Graham John

2015. Epoxidation of propene with graphite AuPd-supported nanoparticles. Catalysis Letters 145 (2) , pp. 697-701. 10.1007/s10562-014-1439-6

Gupta, Upendra Nath, Alshammari, Hamed, Dummer, Nicholas Frank

, Jenkins, Robert Leyshon, Bethell, Donald and Hutchings, Graham John

2015. Solvent-free oxidation of dec-1-ene using gold/graphite catalyst using an in situ generated oxidant. Catalysis Science & Technology 5 (2) , pp. 1307-1313. 10.1039/C4CY01355G

Gupta, Upendra Nath, Dummer, Nicholas Frank

, Pattisson, Samuel, Jenkins, Robert Leyshon, Knight, David William, Bethell, Donald and Hutchings, Graham John

2015. Solvent-free aerobic epoxidation of Dec-1-ene using gold/graphite as a catalyst. Catalysis Letters 145 (2) , pp. 689-696. 10.1007/s10562-014-1425-z

Haider, Muhammad H., Dummer, Nicholas F.

, Knight, David W., Jenkins, Robert L., Howard, Mark, Moulijn, Jacob, Taylor, Stuart H.

2015. Efficient green methanol synthesis from glycerol. Nature Chemistry 7 , pp. 1028-1032. 10.1038/nchem.2345

Hammond, Ceri

, Hermans, Ive and Dimitratos, Nikolaos

2015. Biomimetic oxidation with Fe-ZSM-5 and H2O2? Identification of an active, extra-framework binuclear core and an FeIII-OOH intermediate with resonance-enhanced Raman Spectroscopy. ChemCatChem 7 (3) , pp. 434-440. 10.1002/cctc.201402642

Hammond, Ceri

, Padovan, Daniele, Al-Nayili, Abbas, Wells, Peter P., Gibson, Emma K. and Dimitratos, Nikolaos

2015. Identification of active and spectator Sn sites in Sn-β following solid-state stannation, and consequences for Lewis acid catalysis. ChemCatChem 7 (20) , pp. 3322-3331. 10.1002/cctc.201500545

Hammond, Ceri

and Tarantino, Giulia 2015. Switching off H2O2 decomposition during TS-1 catalysed epoxidation via post-synthetic active site modification. Catalysts 5 (4) , pp. 2309-2323. 10.3390/catal5042309

Hansmann, Max M., Melen, Rebecca L.

, Rudolph, Matthias, Rominger, Frank, Waderpohl, Hubert, Stephan, Douglas W. and Hashmi, A. Stephen K. 2015. Cyclopropanation/carboboration reactions of enynes with B(C6F5)3. Journal of the American Chemical Society 137 (49) , pp. 15469-15477. 10.1021/jacs.5b09311

Hao, Bing, Caulfield, John C., Hamilton, Mary L., Pickett, John A.

, Midega, Charles A. O., Khan, Zeyaur R., Wang, Junru R. and Hooper, Antony M. 2015. The biosynthesis of allelopathic di-C-glycosylflavones from the roots of Desmodium incanum (G. Mey.) DC. Organic and Biomolecular Chemistry 13 (48) , pp. 11663-11673. 10.1039/C5OB01926E

Harris, Kenneth D. M.

, Hughes, Colan and Williams, Philip Andrew 2015. In situ solid-state NMR studies of crystallization processes. Advances in Organic Crystal Chemistry , pp. 31-53. 10.1007/978-4-431-55555-1_3

Harris, Kenneth D.M.

and Williams, Philip 2015. Structure determination of organic molecular solids from powder x-ray diffraction data: current opportunities and state of the art. Advances in Organic Crystal Chemistry, Japan: Springer, pp. 141-166. (10.1007/978-4-431-55555-1_8)

Harris, Kenneth David Maclean

, Hughes, Colan Evan and Williams, P. Andrew 2015. Monitoring the evolution of crystallization processes by in-situ solid-state NMR spectroscopy. Solid State Nuclear Magnetic Resonance 65 , pp. 107-113. 10.1016/j.ssnmr.2014.11.004

Hasson, Mohammed

2015. Triazine based N-Heterocyclic carbenes - synthesis, coordination and catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

He, Qian

, Belianinov, Alex, Dziaugys, Andrius, Maksymovych, Petro, Vysochanskii, Yulian, Kalinin, Sergei V. and Borisevich, Albina Y. 2015. Antisite defects in layered multiferroic CuCr0.9In0.1P2S6. Nanoscale 7 (44) , pp. 18579-18583. 10.1039/C5NR04779J

He, Qian

, Ishikawa, Ryo, Lupini, Andrew R., Qiao, Liang, Moon, Eun J., Ovchinnikov, Oleg, May, Steven J., Biegalski, Michael D. and Borisevich, Albina Y. 2015. Towards 3D mapping of BO6 octahedron rotations at perovskite heterointerfaces, unit cell by unit cell. ACS Nano 9 (8) , pp. 8412-8419. 10.1021/acsnano.5b03232

He, Qian

, Woo, Jungwon, Belianinov, Alexei, Guliants, Vadim V. and Borisevich, Albina Y. 2015. Better catalysts through microscopy: mesoscale M1/M2 intergrowth in molybdenum-vanadium based complex oxide catalysts for propane ammoxidation. ACS Nano 9 (4) , pp. 3470-3478. 10.1021/acsnano.5b00271

He, Y, Feng, J, Brett, Gemma Louise, Edwards, Jennifer Kelly

2015. Oxidation of aliphatic alcohols by using precious metals supported on hydrotalcite under solvent- and base-free conditions. ChemSusChem 8 (19) , pp. 3314-3322. 10.1002/cssc.201500503

Healy, Mary R., Carter, Emma, Fallis, Ian A.

, Forgan, Ross S., Gordan, Ross J., Kamenetzky, Eduardo, Love, Jason B., Morrison, Carole A., Murphy, Damien M.

and Tasker, Peter A. 2015. EPR/ENDOR and computational study of outer sphere interactions in copper complexes of phenolic oximes. Inorganic Chemistry 54 (17) , pp. 8465-8473. 10.1021/acs.inorgchem.5b01180

Hengst, Konstantin, Arend, Matthias, Pfützenreuter, Rebecca and Hoelderich, Wolfgang F. 2015. Deoxygenation and cracking of free fatty acids over acidic catalysts by single step conversion for the production of diesel fuel and fuel blends. Applied Catalysis B: Environmental 174-17 , pp. 383-394. 10.1016/j.apcatb.2015.03.009

Hernandez-Ortega, A, Quesne, Matthew, Bui, S, Heyes, D.J, Steiner, R.A, Scrutton, N.S and De visser, S.P 2015. Catalytic mechanism of cofactor-free dioxygenases and how they circumvent spin-forbidden oxygenation of their substrates. Journal of the American Chemical Society 137 (23) , pp. 7474-7487. 10.1021/jacs.5b03836

Herrera, Juan Manuel, Titos-Padilla, Silvia, Pope, Simon J. A.

, Berlanga, Isadora, Zamora, Félix, Delgado, Juan José, Kamenev, Konstantin V., Wang, Xiao, Prescimone, Alessandro, Brechin, Euan K. and Colacio, Enrique 2015. Studies on bifunctional Fe(ii)-triazole spin crossover nanoparticles: time-dependent luminescence, surface grafting and the effect of a silica shell and hydrostatic pressure on the magnetic properties. Journal of Materials Chemistry C 3 (30) , pp. 7819-7829. 10.1039/C5TC00685F

Hettmer, Simone, Schinzel, Anna C., Tchessalova, Daria, Schneider, Michaela, Parker, Christina L., Bronson, Roderick T., Richards, Nigel G. J.

, Hahn, William C. and Wagers, Amy J. 2015. Functional genomic screening reveals asparagine dependence as a metabolic vulnerability in sarcoma. eLife 4 , e09436.. 10.7554/eLife.09436

Hewitt, Natalie L. 2015. Synthetic approaches to the cladiellin diterpenes. PhD Thesis, Cardiff University.
Item availability restricted.

Hibbs, David, Du, Jonathan James, Váradi, Linda, Tan, Jinlong, Zhao, Yiliang, Groundwater, P. W. and Platts, James Alexis

2015. Experimental and theoretical charge density distribution in pigment yellow 101. Physical Chemistry Chemical Physics 17 (6) , pp. 4677-4686. 10.1039/C4CP04302B

Hicks, Mark 2015. Reactivity and mechanistic studies of small molecules at model metal oxide surfaces: Underpinning PuO2 safe storage. PhD Thesis, Cardiff University.

Item availability restricted.

Hoh, Soon, Thomas, Liam, Jones, Glenn and Willock, David James

2015. A density functional study of oxygen vacancy formation on α-Fe2O3(0001) surface and the effect of supported Au nanoparticles. Research on Chemical Intermediates 41 (12) , pp. 9587-9601. 10.1007/s11164-015-1984-7

Hollingsworth, N., Taylor, S. F. R., Galante, M. T., Jacquemin, J., Longo, C., Holt, K.B., de Leeuw, Nora H.

and Hardacre, C. 2015. CO2 capture and electrochemical conversion using superbasic [P66614][124Triz]. Faraday Discussions- Royal Society of Chemistry 183 , pp. 389-400. 10.1039/c5fd00091b

Hollingsworth, N, Taylor, S .F. R., Galante, M. T., Jacquemin, J, Longo, C, Holt, K. B., de Leeuw, Nora

and Hardacre, C. 2015. Reduction of carbon dioxide to formate at low overpotential using a superbase ionic liquid. Angewandte Chemie -International Edition in English- 54 (47) , pp. 14164-14168. 10.1002/anie.201507629

Hooper, A.M., Caulfield, J.C., Hao, B., Pickett, John

, Midega, C.A.O. and Khan, Z.R. 2015. Isolation and identification of Desmodium root exudates from drought tolerant species used as intercrops against Striga hermonthica. Phytochemistry 117 , pp. 380-387. 10.1016/j.phytochem.2015.06.026

Howard, Joseph L. 2015. Investigation of new mechanochemical and organofluorine synthetic methods. MPhil Thesis, Cardiff University.

Item availability restricted.

Hu, Hang, Cai, Sixiang, Li, Hongrui, Huang, Lei, Shi, Liyi and Zhang, Dengsong 2015. Mechanistic aspects of deNOx processing over TiO2 supported Co-Mn oxide catalysts: structure-activity relationships and in situ DRIFTs analysis. ACS Catalysis 5 (10) , 6069–6077. 10.1021/acscatal.5b01039

Hu, Hang, Cai, Sixiang, Li, Hongrui, Huang, Lei, Shi, Liyi and Zhang, Dengsong 2015. In situ DRIFTs investigation of the low-temperature reaction mechanism over Mn-Doped Co3O4 for the selective catalytic reduction of NOx with NH3. Journal of Physical Chemistry C 119 (40) , 22924–22933. 10.1021/acs.jpcc.5b06057

Hu, Sigui, Kim, Min-Zy, Lee, Du-Hyoung, Sharma, Pankaj

, Han, Moon-Hee and Cho, Churl-Hee 2015. Effect of the pH value of seed coating solution on microstructure of silicalite-1 zeolite separation layer grown on α-alumina support. Membrane Journal 25 (5) , pp. 422-430. 10.14579/MEMBRANE_JOURNAL.2015.25.5.422

Hughes, Colan Evan, Williams, Andrew, Keast, Victoria, Charalampopoulos, Vasileios, Edwards-Gau, Gregory R. and Harris, Kenneth David Maclean

2015. New in situ solid-state NMR techniques for probing the evolution of crystallization processes: pre-nucleation, nucleation and growth. Faraday Discussions 179 , pp. 115-140. 10.1039/C4FD00215F

Hurcom, Jamie 2015. Probing the behaviour of poly(ethylene oxide)- poly(propylene oxide)-poly(ethylene oxide) surfactants in the formation of hydrophilic polyurethane foam. PhD Thesis, Cardiff University.

Item availability restricted.

Iqbal, Sarwat, Brett, Gemma and Hutchings, Graham j.

2015. The role of gold catalysts in C-H bond activation for the selective oxidation of saturated hydrocarbons. Gold Catalysis Preparation, Characterization, and Applications , pp. 311-339. 10.1201/b19911-12

Iqbal, Sarwat, Kondrat, Simon A., Jones, Daniel R., Schoenmakers, Daniël C., Edwards, Jennifer K.

, Lu, Li, Yeo, Benjamin R., Wells, Peter P., Gibson, Emma K., Morgan, David J.

, Kiely, Christopher J.

2015. Ruthenium nanoparticles supported on carbon: an active catalyst for the hydrogenation of lactic acid to 1,2-propanediol. ACS Catalysis 5 (9) , pp. 5047-5059. 10.1021/acscatal.5b00625

Jacques, Aurelie, Lebrun, Colette, Casini, Angela

, Kieffer, Isabelle, Proux, Olivier, Latour, Jean-Marc and Seneque, Olivier 2015. Reactivity of Cys4 zinc finger domains with gold(III) complexes: insights into the formation of "gold fingers". Inorganic Chemistry 54 (8) , pp. 4104-4113. 10.1021/acs.inorgchem.5b00360

Jana, Atanu, Baggaley, Elizabeth, Amoroso, Angelo

and Ward, Michael D. 2015. A new ligand skeleton for imaging applications with d–f complexes: combined lifetime imaging and high relaxivity in an Ir/Gd dyad. Chemical Communications 51 (42) , pp. 8833-8836. 10.1039/C5CC02130H

Jesse, Stephen, He, Qian

, Lupini, Andrew R., Leonard, Donovan N., Oxley, Mark P., Ovchinnikov, Oleg, Unocic, Raymond R., Tselev, Alexander, Fuentes-Cabrera, Miguel, Sumpter, Bobby G., Pennycook, Stephen J., Kalinin, Sergei V. and Borisevich, Albina Y. 2015. Atomic-level sculpting of crystalline oxides: toward bulk nanofabrication with single atomic plane precision. Small 11 (44) , pp. 5895-5900. 10.1002/smll.201502048

Ji, L., Faponle, A. S, Quesne, Matthew, Sainna, Mala Alhaji, Zhang, J., Franke, A., Kumar, D., van Eldik, R., Liu, W. and De Visser, S. P 2015. Drug metabolism by cytochrome P450 enzymes: what distinguishes the pathways leading to substrate hydroxylation over desaturation? Chemistry - a European Journal 21 (25) , pp. 9083-9092. 10.1002/chem.201501444

Jiang, Dong, Wang, Wenzhong, Zhang, Ling, Qiu, Ruihao, Sun, Songmei and Zheng, Yali 2015. A strategy for improving deactivation of catalytic combustion at low temperature via synergistic photocatalysis. Applied Catalysis B: Environmental 165 , 399--407. 10.1016/j.apcatb.2014.10.040

Jiang, Ning, Woodley, Scott M and Catlow, Charles Richard

2015. Applying a new interatomic potential for the modelling of hexagonal and orthorhombic YMnO3. Journal of Materials Chemistry C 3 (18) , pp. 4787-4793. 10.1039/C4TC02759K

Johnston, Peter, Carthey, Nicholas and Hutchings, Graham John

2015. Discovery, development, and commercialization of gold catalysts for acetylene hydrochlorination. Journal of the American Chemical Society 137 (46) , pp. 14548-14557. 10.1021/jacs.5b07752

Jones, Dyfyr Heulen, Smith, Keith, Elliott, Mark Christopher

and El-Hiti, Gamal A. 2015. Factors affecting reactions of trialkylcyanoborates with imidoyl chlorides/trifluoroacetic anhydride. Tetrahedron 71 (36) , pp. 6285-6289. 10.1016/j.tet.2015.06.038

Jones, C. L., Tansell, Alexander and Easun, Timothy

2015. The lighter side of MOFs: structurally photoresponsive metal-organic frameworks. Journal of Materials Chemistry A 4 (18) , pp. 6714-6723. 10.1039/C5TA09424K

Kays, Deborah L.

2015. Extremely bulky amide ligands in main group chemistry. Chemical Society Reviews 45 (4) , pp. 1004-1018. 10.1039/C5CS00513B

Kennedy, Julia

, Jones, Wilm, Morgan, David John

, Lu, Li, Kiely, Christopher John

, Wells, Peter P. and Dimitratos, Nikolaos

2015. Photocatalytic hydrogen production by reforming of methanol using Au/TiO2, Ag/TiO2and Au-Ag/TiO2catalysts. Catalysis, Structure & Reactivity 1 (1) , pp. 35-43. 10.1179/2055075814Y.0000000006

King, Gavin Morgan, Iqbal, Sarwat, Miedziak, Peter John, Brett, Gemma Louise, Kondrat, Simon A., Yeo, Benjamin Roy, Liu, Xi, Edwards, Jennifer Kelly

, Knight, David K. and Hutchings, Graham John

2015. An investigation of the effect of the addition of tin to %Pd/TiO2 for the hydrogenation of furfuryl alcohol. ChemCatChem 7 (14) , pp. 2122-2129. 10.1002/cctc.201500242

Knowles, Peter James

2015. Compressive sampling in configuration interaction wavefunctions. Molecular Physics 113 (13-14) , pp. 1655-1660. 10.1080/00268976.2014.1003621

Koczor, Sándor, Szentkirályi, Ferenc, Pickett, John A.

, Birkett, Michael A. and Tóth, Miklós 2015. Aphid sex pheromone compounds interfere with attraction of common green lacewings to floral bait. Journal of Chemical Ecology 41 (6) , pp. 550-556. 10.1007/s10886-015-0585-7

Kramer, Zeb C., Carpenter, Barry K.

, Ezra, Gregory S. and Wiggins, Stephen 2015. A reaction path bifurcation in an electrocyclic reaction: the ring-opening of the cyclopropyl radical. Journal of Physical Chemistry A 119 (25) , pp. 6611-6630. 10.1021/acs.jpca.5b02834

Kremer, A., Aurisicchio, C., De Leo, F., Ventura, B., Wouters, J., Armaroli, N., Barbieri, A. and Bonifazi, Davide

2015. Walking down the chalcogenic group of the periodic table: from singlet to triplet organic emitters. Chemistry 21 (43) , pp. 15377-15387. 10.1002/chem.201501260

Kremer, A., Bietlot, E., Zanelli, A., Malicka, J. M., Armaroli, N. and Bonifazi, Davide

2015. Versatile bisethynyl[60]fulleropyrrolidines scaffolds for mimicking artificial light-harvesting photoreaction centers. Chemistry - a European Journal 21 (3) , pp. 1108-1117. 10.1002/chem.201404372

Krithika, Ramakrishnan, Srivastava, Prabhakar Lal

, Rani, Bajaj, Kolet, Swati P., Chopade, Manojkumar, Soniya, Mantri and Thulasiram, Hirekodathakallu V. 2015. Characterization of 10-hydroxygeraniol dehydrogenase from Catharanthus roseus reveals cascaded enzymatic activity in iridoid biosynthesis. Scientific Reports 5 (1) , 8258. 10.1038/srep08258

Krylov, Anna I., Herbert, John M., Furche, Filipp, Head-Gordon, Martin, Knowles, Peter James

, Lindh, Roland, Manby, Frederick R., Pulay, Peter, Skylaris, Chris-Kriton and Werner, Hans-Joachim 2015. What Is the price of open-source software? The Journal of Physical Chemistry Letters 6 (14) , pp. 2751-2754. 10.1021/acs.jpclett.5b01258

Kumar, Ravi and Wirth, Thomas

2015. Asymmetric synthesis with hypervalent iodine reagents. Topics in Current Chemistry , pp. 1-19. 10.1007/128_2015_639

Langdon-Jones, Emily 2015. Re(I), Ir(III) and Au(I) luminescent complexes for imaging, sensing and therapy. PhD Thesis, Cardiff University.

Item availability restricted.

Langdon-Jones, Emily Elizabeth, Lloyd, David

, Hayes, Anthony Joseph, Wainwright, Shane D., Mottram, Huw James, Coles, Simon J. A., Horton, Peter N. and Pope, Simon

2015. Alkynyl-naphthalimide fluorophores: gold coordination chemistry and cellular imaging applications. Inorganic Chemistry 54 (13) , pp. 6606-6615. 10.1021/acs.inorgchem.5b00954

Lari, Giacomo M., Nowicka, Ewa

, Kondrat, Simon A. and Hutchings, Graham John

2015. The use of carbon monoxide as a probe molecule in spectroscopic studies for determination of exposed gold sites on TiO2. Physical Chemistry Chemical Physics 17 (35) , pp. 23236-23244. 10.1039/C5CP02512E

Lari, Matteo, Lozano, Héctor J., Busto, Natalia, Biver, Tarita, Leal, José M., Ibeas, Saturnino, Platts, James Alexis

, Secco, Fernando and Garcia, Begoña 2015. Stabilization of Al(iii) solutions by complexation with cacodylic acid: speciation and binding features. Physical Chemistry Chemical Physics 17 (44) , pp. 29803-29813. 10.1039/C5CP04717J

Laskay, Ü. A., Garino, C., Tsybin, Y. O., Salassa, L. and Casini, Angela

2015. Gold finger formation studied by high-resolution mass spectrometry and in silico methods. Chemical Communications 51 (9) , pp. 1612-1615. 10.1039/C4CC07490D

Lemaire, T., Pham, T. T., de Leeuw, Nora H.

and Naili, S. 2015. Bone water at the nanoscale: a molecular dynamics study. Computer methods in biomechanics and biomedical engineering 18 (S1) 10.1080/10255842.2015.1069586

Lemaire, T, Pham, T.T., Capiez-Lernout, E, de Leeuw, Nora H.

and Naili, S 2015. Water in hydroxyapatite nanopores: Possible implications for interstitial bone fluid flow. Journal of Biomechanics 48 (12) , pp. 3066-3071. 10.1016/j.jbiomech.2015.07.025

Li, H, Kidwell, N. M., Beames, Joseph

and Lester, M. I. 2015. UV photodissociation dynamics of the CH3CHOO Criegee intermediate: action spectroscopy and velocity map imaging of O-atom products. Journal of Physical Chemistry A 119 (30) , pp. 8328-8337. 10.1021/acs.jpca.5b05352

Li, Hongwei, Beames, Joseph M.

and Lester, Marsha I. 2015. Velocity map imaging of O-atom products from UV photodissociation of the CH2OO Criegee intermediate. Journal of Chemical Physics 142 (21) , 214312. 10.1063/1.4921990

Liu, Xi, Conte, Marco, Meenakshisundaram, Sankar

, He, Qian

, Jenkins, Robert Leyshon, Knight, David William, Whiston, Keith, Kiely, Christopher

2015. Liquid phase oxidation of cyclohexane using bimetallic Au–Pd/MgO catalysts. Applied Catalysis A: General 504 , pp. 373-380. 10.1016/j.apcata.2015.02.034

Liu, Yan, Xu, Jing, Li, Hongrui, Cai, Sixiang, Hu, Hang, Fang, Cheng, Shi, Liyi and Zhang, Dengsong 2015. Rational design and in situ fabrication of MnO2@NiCo2O4 nanowire arrays on Ni foam as high-performance monolith de-NOx catalysts. Journal of Materials Chemistry A: materials for energy and sustainability 3 (21) , pp. 11543-11553. 10.1039/C5TA01212K

Lobo, Susana A. L., Scott, Alan, Videira, Marco A. M., Winpenny, David, Gardner, Mark, Palmer, Mike J., Schroeder, Susanne, Lawrence, Andrew D., Parkinson, Tanya, Warren, Martin J. and Saraiva, Lígia M. 2015. Staphylococcus aureushaem biosynthesis: characterisation of the enzymes involved in final steps of the pathway. Molecular Microbiology 97 (3) , pp. 472-487. 10.1111/mmi.13041

Logsdail, Andrew

, Mora-Fonz, David, Scanlon, David O. and Catlow, Charles Richard

2015. Structural, energetic and electronic properties of (100) surfaces for alkaline earth metal oxides as calculated with hybrid density functional theory. Surface Science 642 , pp. 58-65. 10.1016/j.susc.2015.06.012

Luhavaya, Hanna, Dias, Marcio V. B., Williams, Simon R., Hong, Hui, Gonzaga De Oliveira, Luciana and Leadlay, Peter F. 2015. Enzymology of pyran ring A formation in salinomycin biosynthesis. Angewandte Chemie International Edition 54 (46) , pp. 13622-13625. 10.1002/anie.201507090

Luk, Louis Y. P.

, Ruiz-Pernía, J. Javier, Adesina, Aduragbemi S., Loveridge, E. Joel, Tuñón, Iñaki, Moliner, Vincent and Allemann, Rudolf K.

2015. Chemical ligation and isotope labeling to locate dynamic effects during catalysis by dihydrofolate reductase. Angewandte Chemie International Edition 54 (31) , pp. 9016-9020. 10.1002/anie.201503968

Luk, Louis Yu Pan

, Loveridge, Edric Joel and Allemann, Rudolf Konrad

2015. Protein motions and dynamic effects in enzyme catalysis. Physical Chemistry Chemical Physics 17 , pp. 30817-30827. 10.1039/C5CP00794A

Luo, Wenhao, Meenakshisundaram, Sankar

, Beale, Andrew M., He, Qian

, Kiely, Christopher J.

, Bruijnincx, Pieter C. A. and Weckhuysen, Bert M. 2015. High performing and stable supported nano-alloys for the catalytic hydrogenation of levulinic acid to γ-valerolactone. Nature Communications 6 , .. 10.1038/ncomms7540

Maidich, Luca, Dettori, Gavina, Stoccoro, Sergio, Cinellu, Maria Agostina, Rourke, Jonathan P.

and Zucca, Antonio 2015. Electronic and steric effects in rollover C-H bond activation. Organometallics 34 (5) , pp. 817-828. 10.1021/om500681u

Mala, Alhaji, Sil, Debangsu, Sahoo, Dipanker, Martin, Bodo, Prasad Rath, Sanker, Comba, Peter and De Visser, Sam P. 2015. Spin-state ordering in hydroxo-bridged diiron (III)bisporphyrin complexes. Inorganic Chemistry 54 (4) , pp. 1919-1930. 10.1021/ic502803b

Maniruzzaman, Mohammed, Pang, Jiayun, Morgan, David John

and Douroumis, Dennis 2015. Molecular modeling as a predictive tool for the development of solid dispersions. Molecular Pharmaceutics 12 (4) , pp. 1040-1049. 10.1021/mp500510m

Mansell, S. M., Russell, C. A. and Wass, Duncan

2015. Synthesis of chelating diamido Sn(iv) compounds from oxidation of Sn(ii) and directly from Sn(iv) precursors. Dalton Transactions 44 (21) , pp. 9756-9765. 10.1039/C5DT01022E

Margiotta, Nicola, Petruzzella, Emanuele, Platts, James Alexis

, Mutter, Shaun T., Deeth, Robert J., Ranaldo, Rosa, Papadia, Paride, Marzilli, Patricia A., Marzilli, Luigi G., Hoeschele, James D. and Natile, Giovanni 2015. DNA fragment conformations in adducts with Kiteplatin. Dalton Transactions 44 (8) , pp. 3544-3556. 10.1039/C4DT01796J
Item availability restricted.

Margulies, Eric A., Wu, Yi-Lin

, Gawel, Przemyslaw, Miller, Stephen A., Shoer, Leah E., Schaller, Richard D., Diederich, François and Wasielewski, Michael R. 2015. Sub-picosecond singlet exciton fission in cyano-substituted diaryltetracenes. Angewandte Chemie International Edition 54 (30) , pp. 8679-8683. 10.1002/anie.201501355

Marin, Raimon P., Ishikawa, Satoshi, Bahruji, Hasliza, Shaw, Greg, Kondrat, Simon A., Miedziak, Peter J., Morgan, David John

, Bartley, Jonathan K.

, Ueda, Wataru and Hutchings, Graham J.

2015. Supercritical antisolvent precipitation of TiO2 with tailored anatase/rutile composition for applications in redox catalysis and Ppotocatalysis. Applied Catalysis A: General 504 , pp. 62-73. 10.1016/j.apcata.2015.02.023

Martin, Adam D., Britton, Joshua, Easun, Timothy

, Blake, Alexander J., Lewis, William and Schröder, Martin 2015. Hirshfeld surface investigation of structure-directing interactions within dipicolinic acid derivatives. Crystal Growth and Design 15 (4) , pp. 1697-1706. 10.1021/cg5016934

Mauguiere, Frederic A. L., Collins, Peter, Kramer, Zeb C., Carpenter, Barry K.

, Ezra, Gregory S., Farantos, Stavros C. and Wiggins, Stephen 2015. Phase space structures explain hydrogen atom roaming in formaldehyde decomposition. Journal of Physical Chemistry Letters 6 (20) , pp. 4123-4128. 10.1021/acs.jpclett.5b01930

Mayabadi, Azam, Pawbake, Amit, Rondiya, Sachin, Rokade, Avinash, Waykar, Ravindra, Kulkarni, Rupali, Jadhavar, Ashok, Kamble, Mahesh, Gabhale, Bharat, Waman, Vaishali, Sathe, Vasant, Pathan, Habib and Jadkar, Sandesh 2015. Effect of calcination on structural, morphological and photoelectrochemical performance of SnO2/TiO2 nanostructure films. Thin Solid Films 589 , pp. 493-502. 10.1016/j.tsf.2015.06.020

Meah, Dilruba 2015. Genetically-encoded photoswitches for controlling apoptosis. PhD Thesis, Cardiff University.

Item availability restricted.

Meenakshisundaram, Sankar

, Ajithkumar, Thalasseril G., Sankar, Gopinathan and Manikandan, Palanichamy 2015. Supported imidazole as heterogeneous catalyst for the synthesis of cyclic carbonates from epoxides and CO2. Catalysis Communications 59 , pp. 201-205. 10.1016/j.catcom.2014.10.026

Melen, Rebecca L.

2015. Dehydrocoupling routes to element-element bonds catalysed by main group compounds. Chemical Society Reviews 45 , pp. 775-788. 10.1039/c5cs00521c

Melen, Rebecca L.

and Stephan, Douglas W. 2015. Cycloaddition reactions of (C6F5)2BN3 with dialkyl acetylenedicarboxylates. Dalton Transactions 44 (11) , pp. 5045-5048. 10.1039/C5DT00316D

Melen, Rebecca L.

, Wilkins, Lewis, Kariuki, Benson

, Wadepohl, Hubert, Gade, Lutz, Hashmi, Stephen, Stephan, Douglas and Hansmann, Max 2015. Diverging pathways in the activation of allenes with Lewis acids and bases: addition, 1,2-Carboboration, and cyclization. Organometallics 34 (16) , pp. 4127-4137. 10.1021/acs.organomet.5b00546

Meleshko, Glib 2015. Polymer-drug delivery. Combining computer simulations and experimental techniques. PhD Thesis, Cardiff University.

Item availability restricted.

Mercer, M. P., Plana, D., Fermin, D. J., Morgan, David John

and Vasiljevic, N. 2015. Growth of epitaxial Pt1–xPbx alloys by surface limited redox replacement and study of their adsorption properties. Langmuir 31 (39) , pp. 10904-10912. 10.1021/acs.langmuir.5b02351

Mercy, M, Rebecca Taylor, S. F., Jacquemin, J, Hardacre, C, Bell, R. G. and de Leeuw, Nora

2015. The addition of CO2 to four superbase ionic liquids: a DFT study. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 17 (43) , pp. 28674-28682. 10.1039/c5cp05153c

Midega, Charles A.O., Bruce, Toby J.A., Pickett, John

, Pittchar, Jimmy O., Murage, Alice and Khan, Zeyaur R. 2015. Climate-adapted companion cropping increases agricultural productivity in East Africa. Field Crops Research 180 , pp. 118-125. 10.1016/j.fcr.2015.05.022

Midega, Charles A.O, Bruce, Toby J.A, Pickett, John

and Khan, Zeyaur R 2015. Ecological management of cereal stemborers in African smallholder agriculture through behavioural manipulation. Ecological Entomology 40 (S1) , pp. 70-81. 10.1111/een.12216

Millet, Anthony, Baudoin, Olivier and Morrill, Louis

2015. Palladium-catalyzed β -Selective C(sp3)-H Arylation of N-Boc-Piperidines. Organic Syntheses 92 , pp. 76-90. 10.15227/orgsyn.092.0076

Molt Jr., Robert W., Lecher, Alison M., Clark, Timothy, Bartlett, Rodney J. and Richards, Nigel G. J.

2015. Facile Csp2-Csp2 bond cleavage in oxalic acid-derived radicals. Journal of the American Chemical Society 137 (9) , pp. 3248-3252. 10.1021/ja510666r

Mora-Fonz, David, Buckeridge, John, Logsdail, Andrew

, Scanlon, David O., Sokol, Alexey A., Woodley, Scott and Catlow, Charles Richard

2015. Morphological features and band bending at nonpolar surfaces of ZnO. Journal of Physical Chemistry C 119 (21) , pp. 11598-11611. 10.1021/acs.jpcc.5b01331

Morgan Stewart, Henry, Shevlin, Stephen A and Catlow, Charles

2015. Compressive straining of bilayer phosphorene leads to extraordinary electron mobility at a new conduction band edge. Nano Letters 15 (3) , pp. 2006-2010. 10.1021/nl504861w

Morgan, David John

2015. Resolving ruthenium: XPS studies of common ruthenium materials. Surface and Interface Analysis 47 (11) , pp. 1072-1079. 10.1002/sia.5852

Morrill, Louis

, Stark, D. G., Taylor, J. E., Smith, S. R., Squires, J. A., D’Hollander, A. C. A., Simal, C., Shapland, P., O’Riordan, T. J. C. and Smith, A. D. 2015. Isothiourea-catalyzed Michael Addition to unsaturated trichloromethyl ketones. Synfacts 11 (03) , 0315. 10.1055/s-0034-1380058

Moxey, Graeme J., Blake, Alexander J., Lewis, William and Kays, Deborah L.

2015. Alkaline earth complexes of a sterically demanding guanidinate ligand. European Journal of Inorganic Chemistry 2015 (36) , pp. 5892-5902. 10.1002/ejic.201501239

Mueller, Simon T. R. 2015. Diazo compounds in continuous flow technology. PhD Thesis, Cardiff University.

Item availability restricted.

Muenzner, Julienne K., Rehm, Tobias, Biersack, Bernhard, Casini, Angela

, de Graaf, Inge A. M., Worawutputtapong, Pawida, Noor, Awal, Kempe, Rhett, Brabec, Viktor, Kasparkova, Jana and Schobert, Rainer 2015. Adjusting the DNA interaction and anticancer activity of pt(ii) n-heterocyclic carbene complexes by steric shielding of the trans leaving group. Journal of Medicinal Chemistry 58 (15) , pp. 6283-6292. 10.1021/acs.jmedchem.5b00896

Muller, S. T. R., Murat, A, Hellier, Pip and Wirth, Thomas

2015. Safe handling of diazo reagents through inline analytics and flow chemistry. Chimica Oggi 33 (5) , pp. 74-77.

Muller, Simon T. R., Murat, Aurélien, Maillos, Delphine, Lesimple, Patrick, Hellier, Paul and Wirth, Thomas

2015. Rapid generation and safe use of carbenes enabled by a novel flow protocol with in-line IR spectroscopy. Chemistry - A European Journal 21 (19) , pp. 7016-7020. 10.1002/chem.201500416

Müller, Simon T. R. and Wirth, Thomas

2015. Diazo compounds in continuous-flow technology. Chemsuschem 8 (2) , pp. 245-250. 10.1002/cssc.201402874

Murage, A. W., Midega, C. A. O., Pittchar, J. O., Pickett, J. A.

and Khan, Z. R. 2015. Determinants of adoption of climate-smart push-pull technology for enhanced food security through integrated pest management in eastern Africa. Food Security 7 (3) , pp. 709-724. 10.1007/s12571-015-0454-9

Mutter, Shaun T., Margiotta, Nicola, Papadia, Paride and Platts, James Alexis

2015. Computational evidence for structural consequences of kiteplatin damage on DNA. Journal of Biological Inorganic Chemistry 20 (1) , p. 35. 10.1007/s00775-014-1207-5

Mutyambai, Daniel M., Bruce, Toby J. A., Midega, Charles A. O., Woodcock, Christine M., Caulfield, John C., Van Den Berg, Johnnie, Pickett, John

and Khan, Zeyaur R. 2015. Responses of parasitoids to volatiles induced by Chilo partellus oviposition on teosinte, a wild ancestor of maize. Journal of Chemical Ecology 41 (4) , pp. 323-329. 10.1007/s10886-015-0570-1

Myshlyavtsev, Alexander V. and Stishenko, Pavel V. 2015. Potential of lateral interactions of CO on Pt (111) fitted to recent STM images. Surface Science 642 , pp. 51-57. 10.1016/j.susc.2015.08.018

Naderi, Ebadollah, Nanavati, Sachin

, Majumder, Chiranjib and Ghaisas, S. V. 2015. Diffusion of Cd and Te adatoms on CdTe(111) surfaces: A computational study using density functional theory. AIP Advances 5 (1) , -. 10.1063/1.4906794

Nash, A., Lopez-Clavijo, A. F., Collier, T., Bozec, L., Birch, H. L. and de Leeuw, Nora

2015. The thermodynamic characterisation of glucosepane cross-linking in the extra cellular matrix: a density functional theory study [Abstract]. International Journal of Experimental Pathology 96 (2) , A13-A13.

Nowicka, Ewa

, Jenkins, Robert L., Knight, David W., Willock, David J.

, Francisco, Manuel and Taylor, Stuart H.

2015. Selective oxidation of alkyl-substituted polyaromatics using ruthenium-ion-catalyzed oxidation. Chemistry - A European Journal 21 (11) , pp. 4285-4293. 10.1002/chem.201405831

Nowicka, Ewa

, Jenkins, Robert Leyshon, Knight, David William, Willock, David James

, Harris, Kenneth David Mclean

, Francisco, Manuel and Taylor, Stuart H.

2015. Selective oxidation of alkyl-substituted polyaromatics using ruthenium-ion-catalyzed oxidation [Cover Profile]. Chemistry - A European Journal 21 (11) , p. 4169. 10.1002/chem.201406658

O'Malley, A. J. and Catlow, Charles Richard

2015. Molecular dynamics simulations of longer n-alkanes in silicalite: state-of-the-art models achieving close agreement with experiment. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 17 (3) , pp. 1943-1948. 10.1039/C4CP04898A

O'Malley, Alexander J., Catlow, Charles Richard

, Monkenbusch, Michael and Jobic, Hervé 2015. Diffusion of isobutane in silicalite: a neutron spin-echo and molecular dynamics simulation study. Journal of Physical Chemistry C 119 (48) , pp. 26999-27006. 10.1021/acs.jpcc.5b08048

Omorodion, Harrison, Twamley, Brendan, Platts, James Alexis

and Baker, Robert James 2015. Further evidence on the importance of fluorous-fluorous interactions in supramolecular chemistry: a combined structural and computational study. Crystal Growth and Design 15 (6) , pp. 2835-2841. 10.1021/acs.cgd.5b00254

Orecchio, Santino, Bianchini, Flaviano, Bonsignore, Riccardo

, Blandino, Pietro, Barreca, Salvatore and Amorello, Diana 2015. Profiles and sources of pahs in sediments from an open-pit mining area in the Peruvian andes. Polycyclic Aromatic Compounds 36 (4) , pp. 429-451. 10.1080/10406638.2015.1005242

Ortu, Fabrizio, Moxey, Graeme J., Blake, Alexander J., Lewis, William and Kays, Deborah L.

2015. Tuning coordination in s-block carbazol-9-Yl complexes. Chemistry - A European Journal 21 (18) , pp. 6949-6956. 10.1002/chem.201406490

Palmer, Benjamin A., Edwards-Gau, Gregory, Kariuki, Benson

, Dolbnya, Igor P., Collins, Stephen P. and Sutter, John P. 2015. X-ray birefringence imaging of materials with anisotropic molecular dynamics. The Journal of Physical Chemistry Letters 6 , pp. 561-567. 10.1021/jz502652n

Pattisson, Samuel David 2015. From support to carbocatalyst: the aerobic and solvent free epoxidation of dec-1-ene using graphitic oxide as a catalyst. PhD Thesis, Cardiff University.

Item availability restricted.

Pavey, Andrew 2015. The novel rearrangement of 1-acetyl-1-methylcyclohexa-2,5-diene. MPhil Thesis, Cardiff University.
Item availability restricted.

Peneau, Virginie, Shaw, Greg, Freakley, Simon J., Forde, Michael M., Dimitratos, Nikolaos

, Jenkins, Robert Leyshon, Taylor, Stuart H.

2015. Co-oxidation of octane and benzaldehyde using molecular oxygen with Au–Pd/carbon prepared by sol-immobilisation. Catalysis Science & Technology 5 (8) , pp. 3953-3959. 10.1039/C5CY00453E

Pera-Titus, Marc, Leclercq, Loïc, Clacens, Jean-Marc, De?Campo, Floryan and Nardello-Rataj, Véronique 2015. Pickering interfacial catalysis for biphasic systems: from emulsion design to green reactions. Angewandte Chemie International Edition 54 (7) , pp. 2006-2021. 10.1002/anie.201402069

Pham, T. T., Lemaire, T., Capiez-Lernout, E., Lewerenz, M, To, Q- D., Christie, J. K., Di Tommaso, D., de Leeuw, Nora H.

and Naili, S. 2015. Properties of water confined in hydroxyapatite nanopores as derived from molecular dynamics simulations. Theoretical Chemistry Accounts 134 (5) 10.1007/s00214-015-1653-3

Pineaux, F., Stopin, Antoine and Bonifazi, Davide

2015. Biotechnological promises of Fe-filled CNTs for cell translations and magnetic fluid hyperthermia applications. Nanoscale 7 , pp. 20474-20488. 10.1039/C5NR04824A

Platel, Rachel H., Coogan, Michael P. and Platts, James Alexis

2015. Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex. Dalton Transactions 44 (26) , pp. 11700-11704. 10.1039/C5DT02136G

Polyak, Iakov

, Allan, Charlotte S. M. and Worth, Graham A. 2015. A complete description of tunnelling using direct quantum dynamics simulation: Salicylaldimine proton transfer. Journal of Chemical Physics 143 (8) , 084121. 10.1063/1.4929478

Pradhan, Tapas R.

, Mendhekar, Kishor L. and Mohapatra, Debendra K. 2015. Synthesis of γ-acetoxy β-keto esters through regioselective hydration of γ-acetoxy-α,β-alkynoates. The Journal of Organic Chemistry 80 (11) , 5517–5531. 10.1021/acs.joc.5b00400

Puértolas, Begoña, Mayoral, Álvaro, Arenal, Raul, Solsona, Benjamín, Moragues, Alaina, Murcia-Mascaros, Sonia, Amorós, Pedro, Hungría, Ana B., Taylor, Stuart H.

and García, Tomás 2015. High-temperature stable gold nanoparticle catalysts for application under severe conditions: the role of TiO2 nanodomains in structure and activity. ACS Catalysis 5 (2) , pp. 1078-1086. 10.1021/cs501741u

Quesne, Matthew, Faponle, A. S., Goldberg, D. P. and De visser, S. P. 2015. Catalytic function and mechanism of heme and nonheme iron(IV)–oxo complexes in nature. Swart, Marcel and Costas, Miquel, eds. Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity, Chichester: John Wiley & Sons, (10.1002/9781118898277.ch9)

Radadiya, Ashish

and Shah, Anamik 2015. Bioactive benzofuran derivatives: An insight on lead developments, radioligands and advances of the last decade. European Journal of Medicinal Chemistry 97 , pp. 356-376. 10.1016/j.ejmech.2015.01.021

Rajaratnam, R, Martin, E. K., Dorr, M, Harms, K, Casini, Angela

and Meggars, E 2015. Correlation between the stereochemistry and bioactivity in octahedral rhodium prolinato complexes. Inorganic Chemistry 54 (16) , pp. 8111-8120. 10.1021/acs.inorgchem.5b01349

Ramdas, Ragini, Nowicka, Ewa

, Jenkins, Robert Leyshon, Sellick, David, Davies, Catherine and Golunski, Stanislaw E.

2015. Using real particulate matter to evaluate combustion catalysts for direct regeneration of diesel soot filters. Applied Catalysis B: Environmental 176-17 , pp. 436-443. 10.1016/j.apcatb.2015.04.031

Regoutz, A., Egdell, R.G., Morgan, David John

, Palgrave, R.G., Téllez, H., Skinner, S.J., Payne, D.J., Watson, G.W. and Scanlon, D.O. 2015. Electronic and surface properties of Ga-doped In2O3 ceramics. Applied Surface Science 349 , pp. 970-982. 10.1016/j.apsusc.2015.04.106

Reid, Reiss, Redman, James Edward

, Rizkallah, Pierre

, Fegan, Christopher Daniel

, Pepper, Christopher John and Man, Stephen Tzekwung

2015. CD8+ T-cell recognition of a synthetic epitope formed by t-butyl modification. Immunology 144 (3) , pp. 495-505. 10.1111/imm.12398

Richings, G.W., Polyak, I.

, Spinlove, K.E., Worth, G.A., Burghardt, I. and Lasorne, B. 2015. Quantum dynamics simulations using Gaussian wavepackets: the vMCG method. International Reviews in Physical Chemistry 34 (2) , pp. 269-308. 10.1080/0144235X.2015.1051354

Rocard, Lou, Berezin, Andrey, De Leo, Federica and Bonifazi, Davide

2015. Templated chromophore assembly by dynamic covalent bonds. Angewandte Chemie International Edition 54 (52) , pp. 15739-15743. 10.1002/anie.201507186

Rogers, Scott M., Catlow, C. Richard A.

, Chan-Thaw, Carine E., Gianolio, Diego, Gibson, Emma K., Gould, Anna L., Jian, Nan, Logsdail, Andrew J.

, Palmer, Richard E., Prati, Laura, Dimitratos, Nikolaos

, Villa, Alberto and Wells, Peter P. 2015. Tailoring gold nanoparticle characteristics and the impact on aqueous-phase oxidation of glycerol. ACS Catalysis 5 (7) , pp. 4377-4384. 10.1021/acscatal.5b00754

Roldan, A.

, Hollingsworth, N., Roffey, A., Islam, H.-U., Goodall, J. B. M., Catlow, C. R. A.

, Darr, J. A., Bras, W., Sankar, G., Holt, K. B., Hogarth, G. and de Leeuw, N. H.

2015. Bio-inspired CO2 conversion by iron sulfide catalysts under sustainable conditions. Chemical Communications 51 (35) , pp. 7501-7504. 10.1039/C5CC02078F

Rong, Y., He, D., Sanchez-Fernandez, A., Evans, C., Edler, K. J., Malpass-Evans, R., Carta, M., McKeown, N. B., Clarke, T. J., Taylor, Stuart H.

, Wain, A. J., Mitchels, J. M. and Marken, F 2015. Intrinsically microporous polymer retains porosity in vacuum thermolysis to electroactive heterocarbon. Langmuir 31 (44) , pp. 12300-12306. 10.1021/acs.langmuir.5b02654

Ronson, Thomas O., Burns, Michael J., Voelkel, Martin H. H., Evans, Kieren J.

, Lynam, Jason M., Taylor, Richard J. K. and Fairlamb, Ian J. S. 2015. Total synthesis and stereochemical revision of phacelocarpus 2-pyrone A. Chemistry - A European Journal 21 (52) , pp. 18905-18909. 10.1002/chem.201504089

Ruiz Hernandez, Sergio

2015. Effect of chondroitin 4-sulfate on the growth and morphology of calcium oxalate monohydrate: A molecular dynamics study. Crystal Growth and Design 15 (9) , pp. 4438-4447. 10.1021/acs.cgd.5b00747

Ruiz Hernandez, Sergio

, Streeter, I. and de Leeuw, Nora H.

2015. The effect of water on the binding of glycosaminoglycan saccharides to hydroxyapatite surfaces: A molecular dynamics study. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 17 (34) , pp. 22377-22388. 10.1039/c5cp02630j

Saada, Rim, Kellici, Suela, Heil, Tobias, Morgan, David John

and Saha, Basudeb 2015. Greener synthesis of dimethyl carbonate using a novel ceria-zirconia oxide/graphene nanocomposite catalyst. Applied Catalysis B: Environmental 168-69 , pp. 353-362. 10.1016/j.apcatb.2014.12.013

Sahoo, D., Quesne, Matthew, De Visser, S. and Prasad Rath, S. 2015. Hydrogen-bonding interactions trigger a spin-flip in iron(III) porphyrin complexes. Angewandte Chemie -International Edition in English- 54 (16) , pp. 4796-4800. 10.1002/ang.201411399

Sainna, Mala A. and de Visser, Sam P. 2015. Alkyl Chain growth on a transition metal centre: How does iron compare to ruthenium and osmium? International Journal of Molecular Sciences 16 , pp. 23369-23381. 10.3390/ijms161023369

Sainna, Mala A., Kumar, Suresh, Fornarini, Simonetta, Crestoni, Maria Elisa and de Visser, Sam P. 2015. A Comprehensive test set of epoxidation rate constants by iron (IV)-oxo porphyrin complexes. Chemical Science 6 , pp. 1516-1529. 10.1039/c4sc02717e

Sainna, Mala A. and Singh, Devendra 2015. Properties and reactivity of a trimetal carbene in Fischer-Tropsch catalysis. Organometallics 9 , pp. 1651-1660.

Salama, Ibrahim E., Jenkins, Claire L., Davies, Alun, Clark, Jeffrey N., Wilkes, Antony R., Hall, Judith E.

and Paul, Alison

2015. Volatile fluorinated nanoemulsions: a chemical route to controlled delivery of inhalation anesthesia. Journal of Colloid and Interface Science 440 , pp. 78-83. 10.1016/j.jcis.2014.10.021

Saleh, B. A. and Elliott, Mark Christopher

2015. Synthesis by substitution of carbon functionalities. Aitken, R. A., Nielsen, M. B., Drabowicz, J., Li, J. J., Plietker, B. J. and Wirth, T., eds. Science of Synthesis Knowledge Updates 2015/2, Thieme, pp. 399-414.

Salmon, Melissa, Laurendon, Caroline, Vardakou, Maria, Cheema, Jitender, Defernez, Marianne, Green, Sol, Faraldos, Juan Antonio and O'Maille, Paul E. 2015. Emergence of terpene cyclization in Artemisia annua. Nature Communications 6 , 6143. 10.1038/ncomms7143

Santos-Carballal, David

, Roldan, Alberto, Grau-Crespo, Ricardo and de Leeuw, Nora H.

2015. First-principles study of the inversion thermodynamics and electronic structure of FeM2X4 (thio)spinels (M = Cr, Mn, Co, Ni; X = O, S). Physical Review B 91 (19) , 195106. 10.1103/PhysRevB.91.195106

Schotten, Christiane, Plaza, Dorota, Manzini, Simone, Nolan, Steven P., Ley, Steven V., Browne, Duncan L.

and Lapkin, Alexei 2015. Continuous flow metathesis for direct valorization of food waste: an example of cocoa butter triglyceride. ACS Sustainable Chemistry & Engineering 3 (7) , pp. 1453-1459. 10.1021/acssuschemeng.5b00397

Sellick, David, Morgan, David John

2015. Silica supported platinum catalysts for total oxidation of the polyaromatic hydrocarbon naphthalene: An investigation of metal loading and calcination temperature. Catalysts 5 (2) , pp. 690-702. 10.3390/catal5020690

Shaikh, Faraz, Bhakat, Soumendranath, Thakur, Abhishek, Radadiya, Ashish

, Soliman, Mahmoud and Shah, Anamik 2015. Identification of novel GSK1070916 analogs as potential aurora B inhibitors: insights from molecular dynamics and MM/GBSA based rescoring. Letters in Drug Design & Discovery 12 (1) , p. 2. 10.2174/1570180811666140725184953

Sharma, Pankaj

, Han, Moon Hee and Cho, Churl-Hee 2015. Synthesis of xeolite nanomolecular sieves of different Si/Al ratios. Journal of Nanomaterials 2015 , pp. 1-9. 10.1155/2015/912575

Sharma, Pankaj

, Jeong, Su-Jung, Han, Moon-Hee and Cho, Churl-Hee 2015. Influence of silica precursors on octahedron shaped nano NaY zeolite crystal synthesis. Journal of the Taiwan Institute of Chemical Engineers 50 , pp. 259-265. 10.1016/j.jtice.2014.12.025

Sharpe, Ryan

2015. Surface science studies of Pd and Au on TiO2(110) single crystals. PhD Thesis, Cardiff University.
Item availability restricted.

Shaw, Paul A., Phillips, Jessica M., Newman, Christopher P., Clarkson, Guy J. and Rourke, Jonathan P.

2015. Intramolecular transcyclometallation: the exchange of an aryl-Pt bond for an alkyl-Pt bond via an agostic intermediate. Chemical Communications 51 (39) , pp. 8365-8368. 10.1039/C5CC02355F

Shi, Hui, Fan, Zhaoyu, Ponsinet, Virginie, Sellier, Remi, Liu, Honglai, Pera-Titus, Marc and Clacens, Jean-Marc 2015. Glycerol/dodecanol double pickering emulsions stabilized by polystyrene-grafted silica canoparticles for interfacial catalysis. ChemCatChem 7 (20) , pp. 3229-3233. 10.1002/cctc.201500556

Shields, A. E., Ruiz Hernandez, Sergio

2015. Configurational analysis of uranium-doped thorium dioxide. IOP Conference Series: Materials Science and Engineering 80 (1) , 012007.

Shields, A.E., Ruiz Hernandez, Sergio

2015. Theoretical analysis of uranium-doped thorium dioxide: Introduction of a thoria force field with explicit polarization. Aip Advances 5 (8) , 87118. 10.1063/1.4928438

Shivakumar, Kilingaru I., Yan, Yuncheng, Hughes, Colan Evan, Apperley, David C., Harris, Kenneth David Maclean

and Sanjayan, Gangadhar J. 2015. Exploiting powder X-ray diffraction to establish the solvent-assisted solid-state supramolecular assembly of pillar[5]quinone. Crystal Growth and Design 15 (4) , pp. 1583-1587. 10.1021/acs.cgd.5b00277

Sigrist, Renata, Costa, Bruna Zucoloto da, Marsaioli, Anita Jocelyne and Gonzaga De Oliveira, Luciana 2015. Nature-inspired enzymatic cascades to build valuable compounds. Biotechnology Advances 33 (5) , pp. 394-411. 10.1016/j.biotechadv.2015.03.010

Silva-Rodrigo, R, Castillo Jimenez, H, Guevara-Lara, A, Melo-Banda, J.A., Olivas Sarabia, A, Reyes de la Torre, A.I., Morteo Flores, Fabian and Castillo Mares, A 2015. Synthesis, characterization and catalytic properties of NiMoP/MCM41-Al2O3 catalysts for DBT hydrodesulfurization. Catalysis Today 250 , pp. 2-11. 10.1016/j.cattod.2014.09.007

Silva, Anderson G. M. da, Lewis, Edward A., Rodrigues, Thenner S., Slater, Thomas J. A.

, Alves, Rafael S., Haigh, Sarah J. and Camargo, Pedro H. C. 2015. Surface segregated AgAu tadpole-shaped nanoparticles synthesized via a single step combined galvanic and citrate reduction reaction. Chemistry - A European Journal 21 (35) , pp. 12314-12320. 10.1002/chem.201501704

Silva, Anderson G. M. da, Rodrigues, Thenner S., Slater, Thomas J. A.

, Lewis, Edward A., Alves, Rafael S., Fajardo, Humberto V., Balzer, Rosana, Silva, Alisson H. M. da, Freitas, Isabel C. de, Oliveira, Daniela C., Assaf, Jose M., Probst, Luiz F. D., Haigh, Sarah J. and Camargo, Pedro H. C. 2015. Controlling size, morphology, and surface composition of AgAu nanodendrites in 15 s for improved environmental catalysis under low metal loadings. ACS Applied Materials & Interfaces 7 (46) , pp. 25624-25632. 10.1021/acsami.5b08725

Skelton, Jonathan M., Crespo-Otero, Rachel, Hatcher, Lauren E.

, Parker, Stephen C., Raithby, Paul R. and Walsh, Aron 2015. Energetics, thermal isomerisation and photochemistry of the linkage-isomer system [Ni(Et4dien)(η2-O,ON)(η1-NO2)]. CrystEngComm 17 (2) 10.1039/C4CE01411A

Skelton, Jonathan M., Lora da Silva, E., Crespo-Otero, Rachel, Hatcher, Lauren E.

, Raithby, Paul R., Parker, Stephen C. and Walsh, Aron 2015. Electronic excitations in molecular solids: bridging theory and experiment. Faraday Discussions 177 10.1039/C4FD00168K

Smith, Paul John 2015. Georgeite: A rare gem for catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Smith, Siobhan R., Fallan, Charlene, Taylor, James E., McLennan, Ross, Daniels, David S. B., Morrill, Louis C.

, Slawin, Alexandra M. Z. and Smith, Andrew D. 2015. Asymmetric isothiourea-catalysed formal [3+2] cycloadditions of ammonium enolates with oxaziridines. Chemistry - A European Journal 21 (29) , pp. 10530-10536. 10.1002/chem.201501271

Srivastava, Prabhakar Lal

, Daramwar, Pankaj P., Krithika, Ramakrishnan, Pandreka, Avinash, Shankar, S. Shiva and Thulasiram, Hirekodathakallu V. 2015. Functional characterization of novel sesquiterpene synthases from Indian sandalwood, Santalum album. Scientific Reports 5 (1) , 10095. 10.1038/srep10095

Stacey, Oliver J. 2015. Novel luminescent platinum (II) and lanthanide (III) complexes towards imaging, diagnostics and therapeutics. PhD Thesis, Cardiff University.

Item availability restricted.

Stacey, Oliver J., Amoroso, Angelo James

, Horton, Peter N., Coles, Simon J., Lloyd, David

, Williams, Catrin Ffion

, Hayes, Anthony Joseph, Dunsford, Jay J. and Pope, Simon J. A.

2015. Water soluble, cyclometalated Pt(II)–Ln(III) conjugates towards novel bimodal imaging agents. Chemical Communications 51 (61) , pp. 12305-12308. 10.1039/C5CC02623G

Stacey, Oliver J., Platts, James Alexis

, Coles, Simon J., Horton, Peter N. and Pope, Simon J. A.

2015. Phosphorescent, cyclometalated cinchophen-derived platinum complexes: syntheses, structures, and electronic properties. Inorganic Chemistry , 150619121705005. 10.1021/acs.inorgchem.5b00817

Steel, Harriet L., Allinson, Sarah L., Andre, Jane, Coogan, Michael P. and Platts, James A.

2015. Platinum trimethyl bipyridyl thiolates - new, tunable, red- to near IR emitting luminophores for bioimaging applications. Chemical Communications 51 (57) , pp. 11441-11444. 10.1039/C5CC04003E

Steer, Julian M.

, Marsh, Richard

and Greenslade, Mark 2015. The effects of particle grinding on the burnout and surface chemistry of coals in a drop tube furnace. Fuel 160 , pp. 413-423. 10.1016/j.fuel.2015.07.094

Stokes, Emily C., Langdon-Jones, Emily, Groves, Lara M., Platts, James Alexis

, Horton, Peter N., Fallis, Ian A.

, Coles, Simon J. and Pope, Simon J. A.

2015. Cationic, luminescent cyclometalated iridium(iii) complexes based on substituted 2-phenylthiazole ligands. Dalton Transactions 44 (18) , pp. 8488-8496. 10.1039/C4DT03054K

Stopin, Antoine, Pineux, F., Marega, R. and Bonifazi, Davide

2015. Magnetically-active carbon nanotubes at work. Chemistry - A European Journal 21 , pp. 9288-9301. 10.1002/chem.201500944

Susner, Michael A., Belianinov, Alex, Borisevich, Albina, He, Qian

, Chyasnavichyus, Marius, Demir, Hakan, Sholl, David S., Ganesh, Panchapakesan, Abernathy, Douglas L., McGuire, Michael A. and Maksymovych, Petro 2015. High-Tc layered ferrielectric crystals by coherent spinodal decomposition. ACS Nano 9 (12) , pp. 12365-12373. 10.1021/acsnano.5b05682

Suter, James L., Kabalan, Lara, Khader, Mahmoud and Coveney, Peter V. 2015. Ab initio molecular dynamics study of the interlayer and micropore structure of aqueous montmorillonite clays. Geochimica et Cosmochimica Acta 169 , pp. 17-29. 10.1016/j.gca.2015.07.013

Sutter, John P., Dolbnya, Igor P., Collins, Stephen P., Harris, Kenneth David Maclean

, Edwards-Gau, Gregory R. and Palmer, Benjamin A. 2015. Theoretical analysis of the background intensity distribution in X-ray Birefringence Imaging using synchrotron bending-magnet radiation. Journal of Applied Physics 117 (16) , 164902. 10.1063/1.4918925

Svalova, A. I. and Stishenko, P. V. 2015. The statistical modeling of the platinum nanoparticles in the transition area from the five-fold symmetry structure to the crystal lattice. Procedia Engineering 113 , pp. 429-434. 10.1016/j.proeng.2015.07.321

Tafreshi, S.S., Roldan Martinez, Alberto

2015. Hydrazine network on Cu(111) surface: A Density Functional Theory approach. Surface Science 637-8 , pp. 140-148. 10.1016/j.susc.2015.04.001

Tafreshi, S.S., Roldan Martinez, Alberto

2015. Density functional theory calculations of the hydrazine decomposition mechanism on the planar and stepped Cu(111) surfaces. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 17 (33) , pp. 21533-21546. 10.1039/c5cp03204k

Tamiru, A., Bruce, T.J.A., Woodcock, C.M., Birkett, M.A., Midega, C.A.O., Pickett, J.A.

and Khan, Z.R. 2015. Chemical cues modulating electrophysiological and behavioural responses in the parasitic wasp Cotesia sesamiae. Canadian Journal of Zoology 93 (4) , pp. 281-287. 10.1139/cjz-2014-0266

Tancock, James and Wirth, Thomas

2015. Selenium-mediated synthesis of tetrasubstituted naphthalenes through rearrangement. Molecules 20 (6) , pp. 10866-10872. 10.3390/molecules200610866

Taylor, S. F. Rebecca, McCrellis, Corina, McStay, Claire, Jacquemin, Johan, Hardacre, Christopher, Mercy, Maxime, Bell, Robert G. and de Leeuw, Nora

2015. CO2 capture in wet and dry superbase ionic liquids. Journal of Solution Chemistry 44 (3-4) , pp. 511-527. 10.1007/s10953-015-0319-z

Thangavelu, Sonia G., Pope, Simon J. A.

and Cahill, Christopher L. 2015. Synthetic, structural, and luminescence study of uranyl coordination polymers containing chelating terpyridine and trispyridyltriazine ligands. Crystengcomm 17 (32) , pp. 6236-6247. 10.1039/C5CE00984G

Thomas, Helen R., Phillips, Daniel J., Wilson, Neil R., Gibson, Matthew I. and Rourke, Jonathan P.

2015. One-step grafting of polymers to graphene oxide. Polymer Chemistry 6 (48) , pp. 8270-8274. 10.1039/C5PY01358E

Thomas, Robert E., Opalka, Daniel, Overy, Catherine, Knowles, Peter J.

, Alavi, Ali and Booth, George H. 2015. Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo. Journal of Chemical Physics 143 (5) , 054108. 10.1063/1.4927594

Touchet, Sabrina, Chamberlain, Keith, Woodcock, Christine M., Miller, David J., Birkett, Michael A., Pickett, John A.

2015. Novel olfactory ligands via terpene synthases. Chemical Communications 51 (35) , pp. 7550-7553. 10.1039/C5CC01814E

Tsai, Yu-Hsuan

, Essig, Sebastian, James, John R., Lang, Kathrin and Chin, Jason W. 2015. Selective, rapid and optically switchable regulation of protein function in live mammalian cells. Nature Chemistry 7 , pp. 554-561. 10.1038/nchem.2253

Twahir, Umar T., Stedwell, Corey N., Lee, Cory T., Richards, Nigel G. J.

, Polfer, Nicolas C. and Angerhofer, Alexander 2015. Observation of superoxide production during catalysis of Bacillus subtilis oxalate decarboxylase at pH 4. Free Radical Biology and Medicine 80 , p. 59. 10.1016/j.freeradbiomed.2014.12.012

Urgel, José I., Ecija, David, Auwärter, Willi, Stassen, Daphné, Bonifazi, Davide

and Barth, Johannes V. 2015. Orthogonal insertion of lanthanide and transition-metal atoms in metal-organic networks on surfaces. Angewandte Chemie - International Edition 54 (21) , pp. 6163-6167. 10.1002/anie.201410802

Urgel, Jose I., Schwarz, Martin, Garnica, Manuela, Stassen, Daphne, Bonifazi, Davide

, Ecija, David, Barth, Johannes V. and Auwärter, Willi 2015. Controlling coordination reactions and assembly on an insulating boron nitride monolayer. Journal of the American Chemical Society 137 (7) , pp. 2420-2423. 10.1021/ja511611r

van den Berg, Roy, Parmentier, Tanja E., Elkjær, Christian F., Gommes, Cedric J, Sehested, Jens, Helveg, Stig, de Jongh, Petra E. and de Jong, Krijn P. 2015. Support functionalization to retard Ostwald ripening in copper methanol synthesis catalysts. ACS Catalysis 5 (7) , pp. 4439-4448. 10.1021/acscatal.5b00833

Van Speybroeck, Veronique, Hemelsoet, Karen, Joos, Lennart and Catlow, Charles Richard

2015. Advances in theory and their application within the field of zeolite chemistry. Chemical Society Reviews 44 (20) , pp. 7044-7111. 10.1039/C5CS00029G

Vieitez Calo, Sara 2015. Diesel oxidation NOx adsorption catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Villa, Alberto, Campisi, Sebastiano, Mohammed, Khaled M. H., Dimitratos, Nikolaos

, Vindigni, Floriana, Manzoli, Maela, Jones, Wilm Vincent, Bowker, Michael

and Prati, Laura 2015. Tailoring the selectivity of glycerol oxidation by tuning the acid-base properties of Au catalysts. Catalysis Science & Technology 5 , pp. 1126-1132. 10.1039/C4CY01246A

Villa, Alberto, Dimitratos, Nikolaos

, Chan-Thaw, Carine E., Hammond, Ceri

, Prati, Laura and Hutchings, Graham John

2015. Glycerol oxidation using gold-containing catalysts. Accounts of Chemical Research 48 (5) , pp. 1403-1412. 10.1021/ar500426g

Villa, Alberto, Dimitratos, Nikolaos, Chan-Thaw, Carine E., Hammond, Ceri, Prati, Laura and Hutchings, Graham John

2015. ChemInform abstract: glycerol oxidation using gold-containing catalysts. Chem Inform 46 (29) 10.1002/chin.201529292

Vuts, József, Francke, Wittko, Mori, Kenji, Zarbin, Paulo H. G., Hooper, Antony M., Millar, Jocelyn G., Pickett, John A.

, Tóth, Miklós, Chamberlain, Keith, Caulfield, John C., Woodcock, Christine M., Tröger, Armin G., Csonka, Éva Bálintné and Birkett, Michael A. 2015. Pheromone bouquet of the dried bean beetle, Acanthoscelides obtectus (Col.: Chrysomelidae), now complete. European Journal of Organic Chemistry 2015 (22) , pp. 4843-4846. 10.1002/ejoc.201500196

Vuts, József, Powers, Stephen J., Caulfield, John C., Pickett, John A.

and Birkett, Michael A. 2015. Multiple roles of a male-specific compound in the sexual behavior of the dried bean beetle, acanthoscelides obtectus. Journal of Chemical Ecology 41 (3) , pp. 287-293. 10.1007/s10886-015-0560-3

Wang, Jiacheng, Kondrat, Simon A., Wang, Yingyu, Brett, Gemma L., Giles, Cicely, Bartley, Jonathan K.

, Lu, Li, Liu, Qian, Kiely, Christopher J.

2015. Au-Pd nanoparticles dispersed on composite titania/graphene oxide-supports as a highly active oxidation catalyst. ACS Catalysis 5 (6) , pp. 3575-3587. 10.1021/acscatal.5b00480

Wang, Jian and Knowles, Peter James

2015. Nonuniqueness of algebraic first-order density-matrix functionals. Physical review A 92 (1) , 012520. 10.1103/PhysRevA.92.012520

Watson, David Robert

2015. Low and non-PGM materials for use in three-way catalytic converters in the treatment of gasoline exhaust. PhD Thesis, Cardiff University.
Item availability restricted.

Wawata, Ibrahim 2015. Methanol oxidation on molybdenum oxide catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Weerachawanasak, P., Hutchings, Graham John

, Kondrat, Simon A., Miedziak, Peter John and Panpranot, J 2015. Surface functionalized TiO<inf>2</inf> supported Pd catalysts for solvent-free selective oxidation of benzyl alcohol. Catalysis Today 250 , pp. 218-225. 10.1016/j.cattod.2014.06.005

Wei, Ying, Parmentier, Tanja E., de Jong, Krijn P. and Zečević, Jovana 2015. Tailoring and visualizing the pore architecture of hierarchical zeolites. Chemical Society Reviews 44 (20) , pp. 7234-7261. 10.1039/C5CS00155B

Whiting, Gareth T., Kondrat, Simon A., Hammond, Ceri

, Dimitratos, Nikolaos

, He, Qian

, Dummer, Nicholas Frank

, Kiely, Christopher

2015. Methyl formate formation from methanol oxidation using supported gold-palladium nanoparticles. ACS Catalysis 5 (2) , pp. 637-644. 10.1021/cs501728r

Wilkins, John Patrick Gordon 2015. The analysis of pesticides & related compounds using mass spectrometry. PhD Thesis, Cardiff University.
Item availability restricted.

Wilkins, Lewis, Hamilton, Hugh, Kariuki, Benson

, Hashmi, Stephen, Hansmann, Max and Melen, Rebecca

2015. Lewis acid-base 1,2-addition reactions: synthesis of pyrylium borates from en-ynoate precursors. Dalton Transactions 45 , pp. 5929-5932. 10.1039/C5DT03340C

Wilkins, Lewis, Wieneke, Philipp, Newman, Paul David

, Rominger, Frank, Hashmi, Sephen, Hansmann, Max and Melen, Rebecca L.

2015. Pathways to functionalized heterocycles: propargyl rearrangement using B(C6F5)3. Organometallics 34 (21) , pp. 5298-5309. 10.1021/acs.organomet.5b00753

Williams, P. Andrew, Hughes, Colan E. and Harris, Kenneth D. M.

2015. L-lysine: exploiting powder X-ray diffraction to complete the set of crystal structures of the 20 directly encoded proteinogenic amino acids. Angewandte Chemie International Edition 54 (13) , pp. 3973-3977. 10.1002/anie.201411520

Wingad, Richard L., Gates, Paul J., Street, Steven T. G. and Wass, Duncan F.

2015. Catalytic conversion of ethanol to n-butanol using ruthenium P–N ligand complexes. ACS Catalysis 5 (10) , pp. 5822-5826. 10.1021/acscatal.5b01327

Wirth, Thomas

2015. Small organoselenium compounds: more than just glutathione peroxidase mimics. Angewandte Chemie - International Edition 54 (35) , pp. 10074-10076. 10.1002/anie.201505056

Wirth, Thomas

2015. Kleine Organoselenverbindungen: mehr als nur Mimetika der Glutathion-Peroxidase. Angewandte Chemie 127 (35) , pp. 10212-10214. 10.1002/ange.201505056

Wirth, Thomas

, Brown, Michael, Delorme, Marion, Malmedy, Florence, Malmgren, Joel and Olofsson, Berit 2015. Synthesis of new chiral diaryliodonium salts. Synlett 26 (11) , pp. 1573-1577. 10.1055/s-0034-1380687

Wirth, Thomas

and Singh, F. V. 2015. Synthesis by substitution of other halogens. Science of Synthesis Knowledge Updates: 2015/2, Thieme, pp. 407-414.

Wirth, Thomas

and Singh, F. V 2015. Synthesis by substitution of oxygen functionalities. Science of Synthesis Knowledge Updates: 2015/2, Thieme, pp. 415-435.

Wu, Gaowei, Constantinou, Achilleas, Cao, Enhong, Kuhn, Simon, Morad, Moataz, Sankar, Meenakshisundaram, Bethell, Donald, Hutchings, Graham John

and Gavriilidis, Asterios 2015. Continuous heterogeneously catalyzed oxidation of benzyl alcohol using a tube-in-tube membrane microreactor. Industrial & Engineering Chemistry Research 54 (16) , pp. 4183-4189. 10.1021/ie5041176

Wu, Yi-Lin

, Brown, Kristen E., Gardner, Daniel M., Dyar, Scott M. and Wasielewski, Michael R. 2015. Photoinduced hole injection into a self-assembled π-extended G-quadruplex. Journal of the American Chemical Society 137 (11) , pp. 3981-3990. 10.1021/jacs.5b00977

Wu, Yilei

, Shi, Rufei, Wu, Yi-Lin

, Holcroft, James M., Liu, Zhichang, Frasconi, Marco, Wasielewski, Michael R., Li, Hui and Stoddart, J. Fraser 2015. Complexation of polyoxometalates with cyclodextrins. Journal of the American Chemical Society 137 (12) , pp. 4111-4118. 10.1021/ja511713c

Yang, Zhou, Lu, Li, Berard, Victoria F., He, Qian

, Kiely, Christopher John

, Berger, Bryan W. and McIntosh, Steven 2015. Biomanufacturing of CdS quantum dots. Green Chemistry 17 (7) , pp. 3775-3782. 10.1039/C5GC00194C

Yankovich, Andrew B., Feng, Jie, Kvit, Alex, Slater, Thomas

, Haigh, Sarah, Morgan, Dane and Voyles, Paul M. 2015. Revealing new atomic-scale information about materials by improving the quality and quantifiability of aberration-corrected STEM data. Microscopy and Microanalysis 21 (S3) , pp. 2409-2410. 10.1017/s1431927615012829

Zeinalipour-Yazdi, Constantinos D., Hargreaves, Justin S. J. and Catlow, Charles Richard

2015. Nitrogen activation in a Mars-van Krevelen mechanism for ammonia synthesis on Co3Mo3N. Journal of Physical Chemistry C 119 (51) , pp. 28368-28376. 10.1021/acs.jpcc.5b06811

Zhang, Ling, Han, Zhongkang, Wang, Wenzhong, Li, Xiaoman, Su, Yang, Jiang, Dong, Lei, Xiaoling and Sun, Songmei 2015. Solar-light-driven pure water splitting with ultrathin BiOCl nanosheets. Chemistry A European Journal 21 (50) , pp. 18089-18094. 10.1002/chem.201503778

Zhang, Ling, Wang, Wenzhong, Sun, Songmei and Jiang, Dong 2015. Near-infrared light photocatalysis with metallic/semiconducting HxWO3/WO3 nanoheterostructure in situ formed in mesoporous template. Applied Catalysis B: Environmental 168-16 , 9--13. 10.1016/j.apcatb.2014.12.018

Zhang, Yan, Li, Zhi-Xia, Yu, Xiu-Dao, Fan, Jia, Pickett, John A.

, Jones, Huw D., Zhou, Jing-Jiang, Birkett, Michael A., Caulfield, John, Napier, Johnathan A., Zhao, Guang-Yao, Cheng, Xian-Guo, Shi, Yi, Bruce, Toby J. A. and Xia, Lan-Qin 2015. Molecular characterization of two isoforms of a farnesyl pyrophosphate synthase gene in wheat and their roles in sesquiterpene synthesis and inducible defence against aphid infestation. New Phytologist 206 (3) , pp. 1101-1115. 10.1111/nph.13302

Zhao, Xin, Huang, Lei, Li, Hongrui, Hu, Hang, Han, Jin, Shi, Liyi and Zhang, Dengsong 2015. Highly dispersed V2O5/TiO2 modified with transition metals (Cu, Fe, Mn, Co) as efficient catalysts for the selective reduction of NO with NH3. Chinese Journal of Catalysis 36 (11) , pp. 1886-1899. 10.1016/S1872-2067(15)60958-5

Zhou, Yating, Guo, Fang, Hughes, Colan Evan, Browne, Duncan L.

, Peskett, Thomas R. and Harris, Kenneth David Maclean

2015. Discovery of new metastable polymorphs in a family of urea co-crystals by solid-state mechanochemistry. Crystal Growth and Design 15 (6) , pp. 2901-2907. 10.1021/acs.cgd.5b00331

Đorđević, Luka, Marangoni, Tomas, Miletic, Tanja, Rubio-Magnieto, Jenifer, Mohanraj, John, Amenitsch, Heinz, Pasini, Dario, Liaros, Nikos, Couris, Stelios, Armaroli, Nicola, Surin, Mathieu and Bonifazi, Davide

2015. Solvent molding of organic morphologies made of supramolecular chiral polymers. Journal of the American Chemical Society 137 (25) , pp. 8150-8160. 10.1021/jacs.5b02448

2014

Adams, Sarah Elizabeth, Rizkallah, Pierre

, Miller, David James, Robinson, Emma J., Hallett, Maurice Bartlett

2014. The structural basis of differential inhibition of human calpain by indole and phenyl α--mercaptoacrylic acids. Journal of Structural Biology 187 (3) , pp. 236-241. 10.1016/j.jsb.2014.07.004

Adjimi, S., Roux, J.-C., Sergent, N., Delpech, F., Thivel, P.-X. and Pera-Titus, M. 2014. Photocatalytic oxidation of ethanol using paper-based nano-TiO2 immobilized on porous silica: A modelling study. Chemical Engineering Journal 251 , pp. 381-391. 10.1016/j.cej.2014.04.013

Adjimi, S., Sergent, N., Roux, J.-C., Delpech, F., Pera-Titus, M., Chhor, K., Kanaev, A. and Thivel, P.-X. 2014. Photocatalytic paper based on sol–gel titania nanoparticles immobilized on porous silica for VOC abatement. Applied Catalysis B: Environmental 154-15 , pp. 123-133. 10.1016/j.apcatb.2014.02.011

Ainsworth, R. I., Christie, J. K. and de Leeuw, Nora H.

2014. On the structure of biomedical silver-doped phosphate-based glasses from molecular dynamics simulations. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (39) , pp. 21135-21143. 10.1039/c4cp00574k

Aldmairi, Abdul Hadi 2014. New aspects of acid-catalysed cyclisations. PhD Thesis, Cardiff University.
Item availability restricted.

Aldosari, Obaid 2014. Hydrogenation reaction using supported palladium Nano-particles. PhD Thesis, Cardiff University.
Item availability restricted.

Alhumaimess, Mosaed, Lin, Zhongjie, He, Qian

, Lu, Li, Dimitratos, Nickolaos

, Conte, Marco, Taylor, Stuart H.

, Bartley, Jonathan K.

, Kiely, Christopher J.

2014. Oxidation of benzyl alcohol and carbon monoxide using gold nanoparticles supported on MnO2 nanowire microspheres. Chemistry - A European Journal 20 (6) , pp. 1701-1710. 10.1002/chem.201303355

Allwood, Daniel, Browne, Duncan L.

and Ley, Steven V. 2014. Synthesis and Use of a Trifluoromethylated Azomethine Ylide Precursor: Ethyl 1-Benzyl-trans-5-(trifluoromethyl)pyrrolidine-3-carboxylate. Organic Syntheses 91 , pp. 162-174.

Alshammari, H., Miedziak, P. J., Davies, T. E., Willock, D. J.

, Knight, D. W. and Hutchings, G. J.

2014. Initiator-free hydrocarbon oxidation using supported gold nanoparticlec. Catalysis Science and Technology -Cambridge- 4 (4) , pp. 908-911. 10.1039/c4cy00088a

Alshammari, Mohammed B., Smith, Keith, Hegazy, Amany S., Kariuki, Benson

and El-Hiti, Gamal A. 2014. Crystal structure of 4-methylsulfanyl-2-phenylquinazoline. Acta Crystallographica Section E - Structure Reports Online 70 (8) , o919. 10.1107/S1600536814015657

Alshammari, Mohammed B., Smith, Keith, Hegazy, Amany S., Kariuki, Benson

and El-Hiti, Gamal A. 2014. Crystal structure of 2-ethylquinazoline-4(3H)-thione. Acta Crystallographica Section E - Structure Reports Online 70 (9) , o953. 10.1107/S160053681401664X

Alsmail, Nada H., Suyetin, Mikhail, Yan, Yong, Cabot, Rafel, Krap, Cristina P., Lu, Jian, Easun, Timothy

, Bichoutskaia, Elena, Lewis, William, Blake, Alexander J. and Schroeder, Martin 2014. Analysis of high and selective uptake of CO2 in an oxamide-containing {Cu-2(OOCR)(4)}-based metal-organic framework. Chemistry - a European Journal 20 (24) , pp. 7317-7324. 10.1002/chem.201304005

Ambreen, Nida and Wirth, Thomas

2014. High-temperature synthesis of amides from alcohols or aldehydes by using flow chemistry. European Journal of Organic Chemistry 2014 (34) , pp. 7590-7593. 10.1002/ejoc.201403280

Ambrose, L. J. A., Abd-Jamil, A. H., Gomes, R. S. M., Carter, Emma

, Carr, C. A., Clarke, K and Heather, L. C. 2014. Investigating mitochondrial metabolism in contracting HL-1 cardiomyocytes following hypoxia and pharmacological HIF activation identifies HIF-dependent and independent mechanisms of regulation. Journal of Cardiovascular Pharmacology and Therapeutics 19 (6) , pp. 574-585. 10.1177/1074248414524480

Aparicio Sanchez, Pablo

, López, Xavier and Poblet, Josep M. 2014. Ability of DFT calculations to correctly describe redox potentials and electron (de)localization in polyoxometalates. Journal of Molecular and Engineering Materials 2 (1) , 1440004. 10.1142/S2251237314400048

Arai, Kenta, Watts, Kevin and Wirth, Thomas

2014. Difluoro- and trifluoromethylation of electron-deficient alkenes in an electrochemical microreactor. ChemistryOpen 3 (1) , pp. 23-28. 10.1002/open.201300039

Arai, Kenta and Wirth, Thomas

2014. Rapid electrochemical deprotection of the isonicotinyloxycarbonyl group from carbonates and thiocarbonates in a microfluidic reactor. Organic Process Research and Development , 140708073813000. 10.1021/op500155f

Asara, Gian Giacomo, Roldan Martinez, Alberto

, Ricart, Josep M., Rodriguez, Jose A., Illas, Francesc and de Leeuw, Nora H.

2014. New insights into the structure of the C-terminated beta-Mo2C (001) surface from first-principles calculations. Journal of Physical Chemistry C 118 (33) , pp. 19224-19231. 10.1021/jp505847g

Attah Egu, Samuel, Okoro, Uchechukwu and Wirth, Thomas

2014. Synthesis of quinolinequinone derivatives and related carbocyclic compounds. ScienceOpen Research 10.14293/S2199-1006.1.SOR-CHEM.AALL9P.v1

Attard, Gary Anthony, Brew, Ashley, Hunter, Katherine, Sharman, Jonathan and Wright, Edward 2014. Specific adsorption of perchlorate anions on Pt{hkl} single crystal electrodes. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (27) , pp. 13689-13698. 10.1039/C4CP00564C

Attard, Gary Anthony, Brew, Ashley, Ye, Jin-Yu, Morgan, David John

and Sun, Shi-Gang 2014. Oxygen reduction reaction activity on Pt{111} surface alloys. ChemPhysChem 15 (10) , pp. 2044-2051. 10.1002/cphc.201402271

Attard, Gary Anthony, Ye, Jin-Yu, Brew, Ashley, Morgan, David John

, Bergstrom-Mann, Patrick and Sun, Shi-Gang 2014. Characterisation and electrocatalytic activity of PtNi alloys on Pt{111} electrodes formed using different thermal treatments. Journal of Electroanalytical Chemistry 716 , pp. 106-111. 10.1016/j.jelechem.2013.09.018

Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. 2014. Synthesis of diverse glycosylphosphatidylinositol glycans and glycolipids from toxoplasma gondii and their application as diagnostic markers and vaccines. EP2690438 A1. [Patent].

MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. 2014. Synthesis of diverse glycosylphosphatidylinositol glycans from toxoplasma gondii and their application as vaccines and diagnostics. WO2014016317 A1. [Patent].

Babikova, Zdenka, Gilbert, Lucy, Bruce, Toby, Dewhirst, Sarah Y., Pickett, John A.

, Johnson, David and Field, Katie 2014. Arbuscular mycorrhizal fungi and aphids interact by changing host plant quality and volatile emission. Functional Ecology 28 (2) , pp. 375-385. 10.1111/1365-2435.12181

Babikova, Zdenka, Gilbert, Lucy, Randall, Kate C., Bruce, Toby J. A., Pickett, John A.

and Johnson, David 2014. Increasing phosphorus supply is not the mechanism by which arbuscular mycorrhiza increase attractiveness of bean (Vicia faba) to aphids. Journal of Experimental Botany 65 (18) , pp. 5231-5241. 10.1093/jxb/eru283

Babikova, Zdenka, Johnson, David, Bruce, Toby, Pickett, John

and Gilbert, Lucy 2014. Underground allies: How and why do mycelial networks help plants defend themselves? Bioessays 36 (1) , pp. 21-26. 10.1002/bies.201300092

Babu, S.S. and Bonifazi, Davide

2014. Self-organization of polar porphyrinoids. ChemPlusChem 79 (7) , pp. 895-906. 10.1002/cplu.201402047

Bakardzhiev, Pavel, Rangelov, Stanislav, Trzebicka, Barbara, Momekova, Denitsa, Lalev, Georgi and Garamus, Vasil M. 2014. Nanostructures by self-assembly of polyglycidol-derivatized lipids. RSC Advances 4 (70) , pp. 37208-37219. 10.1039/C4RA03102D

Barton, C. W., Slater, T. J. A.

, Rowan-Robinson, R. M., Haigh, S. J., Atkinson, D. and Thomson, T. 2014. Precise control of interface anisotropy during deposition of Co/Pd multilayers. Journal of Applied Physics 116 (20) , 203903. 10.1063/1.4902826

Beale, Andrew M., Hofmann, Jan P., Meenakshisundaram, Sankar

, Schrojenstein Lantman, Evelien M. and Weckhuysen, Bert M. 2014. Recent trends in operando and in situ characterization: techniques for rational design of catalysts. Wilson, Karen and Lee, Adam F., eds. Heterogeneous Catalysts for Clean Technology: Spectroscopy, Design, and Monitoring, Weinheim, Germany: Wiley, pp. 365-411. (10.1002/9783527658985.ch12)

Beames, Joseph

, Liu, Fang and Lester, Marsha I. 2014. 1+1 ' resonant multiphoton ionisation of OH radicals via the A(2)sigma(+) state: insights from direct comparison with A-X laser-induced fluorescence detection. Molecular Physics 112 (7) , pp. 897-903. 10.1080/00268976.2013.822592

Bedford, Robin B., Brenner, Peter B., Carter, Emma

, Carvell, Thomas W., Cogswell, Paul M., Gallagher, Timothy, Harvey, Jeremy N., Murphy, Damien M.

, Neeve, Emily C., Nunn, Joshua and Pye, Dominic R. 2014. Expedient iron-catalyzed coupling of alkyl, benzyl and allyl halides with aylboronic esters. Chemistry - A European Journal 20 (26) , pp. 7935-7938. 10.1002/chem.201402174

Bedford, Robin B., Brenner, Peter B., Carter, Emma

, Clifton, Jamie, Cogswell, Paul M., Gower, Nicholas J., Haddow, Mairi F., Harvey, Jeremy N., Kehl, Jeffrey A., Murphy, Damien Martin

, Neeve, Emily C., Neidig, Michael L., Nunn, Joshua, Snyder, Benjamin E. R. and Taylor, Joseph 2014. Iron phosphine catalyzed cross-coupling of tetraorganoborates and related group 13 nucleophiles with alkyl halides. Organometallics 33 (20) , pp. 5767-5780. 10.1021/om500518r

Bedford, Robin B., Brenner, Peter B., Carter, Emma

, Cogswell, Paul M., Haddow, Mairi F., Harvey, Jeremy N., Murphy, Damien M.

, Nunn, Joshua and Woodall, Christopher H. 2014. TMEDA in iron-catalyzed Kumada coupling: amine adduct versus homoleptic "ate" complex formation. Angewandte Chemie International Edition 53 (7) , pp. 1804-1808. 10.1002/anie.201308395

Bedford, Robin B., Brenner, Peter B., Carter, Emma

, Gallagher, Timothy, Murphy, Damien Martin

and Pye, Dominic R. 2014. Iron-catalyzed borylation of alkyl, allyl, and aryl halides: isolation of an iron(I) boryl complex. Organometallics 33 (21) , pp. 5940-5943. 10.1021/om500847j

Behiry, Enas Mamdouh, Evans, Rhiannon Mari, Guo, Jian Nan, Loveridge, Edric Joel and Allemann, Rudolf Konrad

2014. Loop Interactions during Catalysis by Dihydrofolate Reductase from Moritella profunda. Biochemistry 53 (29) , pp. 4769-4774. 10.1021/bi500508z

Behiry, Enas Mamdouh, Luk, Louis Yu Pan

, Matthews, Stella M., Loveridge, Edric Joel and Allemann, Rudolf Konrad

2014. Role of the occluded conformation in bacterial dihydrofolate reductases. Biochemistry 53 (29) , pp. 4761-4768. 10.1021/bi500507v

Bennett, Stacey Danielle, Core, Bryony A., Blake, Matthew P., Pope, Simon J. A.

, Mountford, Philip and Ward, Benjamin David

2014. Chiral lanthanide complexes: coordination chemistry, spectroscopy, and catalysis. Dalton Transactions 43 (15) , pp. 5871-5885. 10.1039/c4dt00114a

Bera, Milan, Modak, Atanu, Patra, Tuhin, Maji, Arun and Maiti, Debabrata 2014. Meta-selective arene C–H bond olefination of arylacetic acid using a nitrile-based directing group. Organic Letters 16 (21) , pp. 5760-5763. 10.1021/ol502823c

Berezin, Andrey A. and Koutentis, Panayiotis A. 2014. Ring contraction of 1,3-diphenylbenzo[1,2,4]triazinyl radicals to 1,2-diphenylbenzimidazoles. Organic and Biomolecular Chemistry 12 (10) , pp. 1641-1648. 10.1039/C3OB42130A

Berezin, Andrey A., Zissimou, Georgia, Constantinides, Christos P., Beldjoudi, Yassine, Rawson, Jeremy M. and Koutentis, Panayiotis A. 2014. Route to benzo- and pyrido-fused 1,2,4-triazinyl radicals via N′-(het)aryl-N′-[2-nitro(het)aryl]hydrazides. Journal of Organic Chemistry 79 (1) , pp. 314-327. 10.1021/jo402481t

Berger, Daniel, Logsdail, Andrew J.

, Oberhofer, Harald, Farrow, Matthew R., Catlow, C. Richard A.

, Sherwood, Paul, Sokol, Alexey A., Blum, Volker and Reuter, Karsten 2014. Embedded-cluster calculations in a numeric atomic orbital density-functional theory framework. Journal of Chemical Physics 141 (2) , 024105. 10.1063/1.4885816

Bertrand, Benoit and Casini, Angela

2014. A golden future in medicinal inorganic chemistry: the promise of anticancer gold organometallic compounds. Dalton Transactions 43 (11) , pp. 4209-4219. 10.1039/C3DT52524D

Bertrand, Benoit, De Almeida, Andreia

, van der Burgt, Evelien P.M., Citta, Anna, Folda, Alessandra, Bodio, Ewen, Picquet, Michel, Rigobello, Maria Pia, Le Gendre, Pierre and Casini, Angela

2014. Fluorescent organometallic gold(I) N-heterocyclic carbene complexes: synthesis and biological activities. Journal of Biological Inorganic Chemistry 19 , S792.

Bertrand, Benoit, de Almeida, Andreia, van der Burgt, Evelien P.M., Picquet, Michel, Citta, Anna, Folda, Alessandra, Rigobello, Maria Pia, Le Gendre, Pierre, Bodio, Ewen and Casini, Angela

2014. New Gold(I) organometallic compounds with biological activity in cancer cells. European Journal of Inorganic Chemistry 2014 (27) , pp. 4532-4536. 10.1002/ejic.201402248

Bertrand, Benoit, Stefan, Loic, Pirrotta, Marc, Monchaud, David, Bodio, Ewen, Richard, Philippe, Le Gendre, Pierre, Warmerdam, Elena, de Jager, Marina H., Groothuis, Geny M. M., Picquet, Michel and Casini, Angela

2014. Caffeine-based gold(I) N-heterocyclic carbenes as possible anticancer agents: synthesis and biological properties. Inorganic Chemistry 53 (4) , pp. 2296-2303. 10.1021/ic403011h

Bhardwaj, Deepesh, Sharma, Pankaj

, Sharma, Monika and Tomar, Radha 2014. Removal and slow release studies of phosphate on surfactant loaded hydrothermally synthesized silicate nanoparticles. Journal of the Taiwan Institute of Chemical Engineers 45 (5) , pp. 2649-2658. 10.1016/j.jtice.2014.07.010

Birkett, Michael A and Pickett, John

2014. Prospects of genetic engineering for robust insect resistance. Current Opinion in Plant Biology 19 , pp. 59-67. 10.1016/j.pbi.2014.03.009

Bloh, Jonathan Z., Folli, Andrea

and Macphee, Donald E. 2014. Adjusting nitrogen doping level in titanium dioxide by codoping with tungsten: Properties and band structure of the resulting materials. Journal of Physical Chemistry C 118 (36) , pp. 21281-21292. 10.1021/jp507264g

Bloh, Jonathan Z., Folli, Andrea

and Macphee, Donald E. 2014. Photocatalytic NOx abatement: Why the selectivity matters. RSC Advances 4 (86) , pp. 45726-45734. 10.1039/C4RA07916G

Blundell, Toby J., Hastings, Fiona R., Gridley, Benjamin M., Moxey, Graeme J., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2014. Ligand influences on homoleptic group 12 m-terphenyl complexes. Dalton Transactions 43 (38) , pp. 14257-14264. 10.1039/C4DT00647J

Bonello, Rhodri Owen 2014. Coordination chemistry of functionalised triarylimidazole-based ligands with Re(I) and U(VI). PhD Thesis, Cardiff University.
Item availability restricted.

Bonello, Rhodri Owen, Morgan, Ian Rhys

, Yeo, Benjamin Roy, Jones, Lucy E. J., Kariuki, Benson

2014. Luminescent rhenium(I) complexes of substituted imidazole[4,5-f]-1,10-phenanthroline derivatives. Journal of Organometallic Chemistry 749 , pp. 150-156. 10.1016/j.jorganchem.2013.08.031

Booyens, Sharon, Bowker, Michael

2014. The adsorption and dissociation of CO on Fe(111). Surface Science 625 , pp. 69-83. 10.1016/j.susc.2014.02.019

Boulfelfel, Salah Eddine, Selli, Daniele and Leoni, Stefano

2014. Novel carbons: habits and oddities. Journal of Inorganic and General Chemistry 640 (5) , pp. 681-688. 10.1002/zaac.201300652

Bowker, Michael

2014. Editorial. Catalysis, Structure & Reactivity 1 (1) , pp. 1-3. 10.1179/2055074X14Z.0000000003

Bowker, Michael

, Morton, Clare Ann, Kennedy, Julia

, Bahruji, Hasliza, Greves, J., Jones, Wilm Vincent, Davies, Philip Rosser

, Brookes, Catherine, Wells, P. P. and Dimitratos, Nikolaos

2014. Hydrogen production by photoreforming of biofuels using Au, Pd and Au-Pd/TiO2 photocatalysts. Journal of Catalysis 310 , pp. 10-15. 10.1016/j.jcat.2013.04.005

Brazier, John B., Gibbs, Timothy J. K., Rowley, Julian H., Samulis, Leopold, Yau, Sze Chak, Kennedy, Alan R., Platts, James Alexis

and Tomkinson, Nicholas C. O. 2014. Improving catalyst activity in secondary amine catalysed transformations. Organic & Biomolecular Chemistry 13 (1) , pp. 133-141. 10.1039/C4OB01916D

Brett, Gemma Louise, Miedziak, Peter John, Knight, David William, Taylor, Stuart H.

2014. Gold-based nanoparticulate catalysts for the oxidative esterification of 1,4-butanediol to dimethyl succinate. Topics in Catalysis 57 (6-9) , pp. 723-729. 10.1007/s11244-013-0229-5

Brookes, Catherine, Wells, P. P., Cibin, G., Dimitratos, Nikolaos

, Jones, Wilm Vincent, Morgan, David John

2014. Molybdenum oxide on Fe2O3 Core-Shell catalysts: Probing the nature of the structural motifs responsible for methanol oxidation catalysis. ACS Catalysis 4 (1) , pp. 243-250. 10.1021/cs400683e

Brookes, Catherine, Wells, Peter P., Dimitratos, Nikolaos

, Jones, Wilm, Gibson, Emma K., Morgan, David J.

, Cibin, Giannantonio, Nicklin, Chris, Mora-Fonz, David, Scanlon, David O., Catlow, C. R. A.

and Bowker, Mike

2014. The nature of the molybdenum surface in iron molybdate. The active phase in selective methanol oxidation. Journal of Physical Chemistry C 118 (45) , pp. 26155-26161. 10.1021/jp5081753

Browne, Duncan

2014. The Trifluoromethylating Sandmeyer Reaction: a method for transforming C[BOND]N into C[BOND]CF3. Angewandte Chemie - International Edition 53 (6) , pp. 1482-1484. 10.1002/anie.201308997

Brunk, E, Kellett, W.F., Richards, Nigel

and Rothlisberger, U 2014. A mechanochemical switch to control radical intermediates. Biochemistry 53 (23) , pp. 3830-3838. 10.1021/bi500050k

Buckeridge, J, Scanlon, D. O., Walsh, A and Catlow, Charles

2014. Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. Computer Physics Communications 185 (1) , pp. 330-338. 10.1016/j.cpc.2013.08.026

Buono, Carlo, Davies, Philip R., Davies, Robert J., Jones, Thomas, Kulhavy, Jiri, Lewis, Ryan, Morgan, David J.

, Robinson, Neil and Willock, David J.

2014. Spectroscopic and atomic force studies of the functionalisation of carbon surfaces: new insights into the role of the surface topography and specific chemical states. Faraday Discussions 173 , pp. 257-272. 10.1039/c4fd00061g

Burnett, T. L., McDonald, S. A., Gholinia, A., Geurts, R., Janus, M., Slater, T.

, Haigh, S. J., Ornek, C., Almuaili, F., Engelberg, D. L., Thompson, G. E. and Withers, P. J. 2014. Correlative tomography. Scientific Reports 4 , 4711. 10.1038/srep04711

Campomanes, Pablo, Kellett, Whitney F., Easthon, Lindsey M., Ozarowski, Andrew, Allen, Karen N., Angerhofer, Alexander, Rothlisberger, Ursula and Richards, Nigel G. J.

2014. Assigning the EPR fine structure parameters of the Mn(II) centers in bacillus subtilis oxalate decarboxylase by site-directed mutagenesis and DFT/MM calculations. Journal of the American Chemical Society 136 (6) , pp. 2313-2323. 10.1021/ja408138f

Carpenter, Barry K.

2014. Effect of a chiral electrostatic cavity on product selection in a reaction with a bifurcating reaction path. Theoretical Chemistry Accounts 133 (8) , 1525. 10.1007/s00214-014-1525-2

Carter, Korey P., Pope, Simon J. A.

and Cahill, Christopher L. 2014. A series of Ln-p-chlorobenzoic acid-terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior. CrystEngComm 16 (10) , pp. 1873-1884. 10.1039/c3ce42267d

Catlow, Charles Richard

2014. Crystallography, materials and computation. IUCrJ 1 (4) , pp. 200-201. 10.1107/S2052252514014122

Catlow, Charles Richard

, Buckeridge, J., Scanlon, D.O., Veal, T.D., Ashwin, M.J. and Walsh, A. 2014. N incorporation and associated localized vibrational modes in GaSb. Physical Review B 89 (1) , 014107. 10.1103/PhysRevB.89.014107

Catlow, Charles Richard

, Butler, Keith T., Buckeridge, John and Walsh, Aron 2014. Crystal electron binding energy and surface work function control of tin dioxide. Physical Review B 89 (11) , 115320. 10.1103/PhysRevB.89.115320

Catlow, Charles Richard

, Deacon-Smith, Daniel E.E., Scanlon, David O., Sokol, Alexey A. and Woodley, Scott M. 2014. Interlayer cation exchange stabilizes polar perovskite surfaces. Advanced Materials 26 (42) , pp. 7252-7256. 10.1002/adma.201401858

Catlow, Charles Richard

, Gould, A.L., Heard, C.J. and Logsdail, Andrew

2014. Segregation effects on the properties of (AuAg)147. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (39) , pp. 21049-21061. 10.1039/C4CP00753K

Chen, Y.Q., Slater, T.J.A.

, Lewis, E.A., Francis, E.M., Burke, M.G., Preuss, M. and Haigh, S.J. 2014. Measurement of size-dependent composition variations for gamma prime (γ′) precipitates in an advanced nickel-based superalloy. Ultramicroscopy 144 , pp. 1-8. 10.1016/j.ultramic.2014.04.001

Chia, Siew-Peng, Carter, Emma

, Xi, Hong-Wei, Li, Yongxin and So, Cheuk-Wai 2014. Group II metal complexes of the germylidendiide dianion radical and germylidenide anion. Angewandte Chemie International Edition 53 (32) , pp. 8455-8458. 10.1002/anie.201404357

Chidawanyika, Frank, Midega, Charles A.O., Bruce, Toby J.A., Duncan, Frances, Pickett, John A.

and Khan, Zeyaur R. 2014. Oviposition acceptance and larval development of Chilo partellus stemborers in drought-stressed wild and cultivated grasses of East Africa. Entomologia Experimentalis et Applicata 151 (3) , pp. 209-217. 10.1111/eea.12186

Cho, Jum Rae, Lee, Min Ho, Park, Chang Gyu, Kim, Jeong Hwan, Hooper, Tony, Woodcock, Christine and Pickett, John

2014. Behavioral response of the Lacewing Chrysopa cognata to both Aphis gossypii-induced plant volatiles and Chrysopa cognata-derived volatiles. Korean journal of applied entomology 53 (1) , pp. 7-13. 10.5656/KSAE.2013.09.0.028

Choi, Heungjae

, Cuenca, Jerome A.

, Attard, Gary and Porch, Adrian

2014. A novel concentration detection method of hydrogen peroxide using microwave cavity perturbation technique. Presented at: 44th European Microwave Conference (EuMC) 2014, Rome, Italy, 6-9 October 2014. 44th European Microwave Conference (EuMC 2014). Picastaway, NJ: IEEE, pp. 632-635. 10.1109/EuMC.2014.6986513

Christie, J. K., Ainsworth, R. I. and de Leeuw, Nora

2014. Ab initio molecular dynamics simulations of structural changes associated with the incorporation of fluorine in bioactive phosphate glasses. Biomaterials 35 (24) , pp. 6164-6171. 10.1016/j.biomaterials.2014.04.032

Cinellu, M. A., Ott, I and Casini, Angela

2014. Gold organometallics with biological properties. Bioorganometallic Chemistry: Applications in Drug Discovery, Biocatalysis, and Imaging, Wiley Blackwell, pp. 117-140. (10.1002/9783527673438.ch04)

Clauzier, S., Ho, L. Ngoc, Pera-Titus, M., Farrusseng, D. and Coasne, B. 2014. Enhanced H2 uptake of n-alkanes confined in mesoporous materials. Journal of Physical Chemistry C 118 (20) , pp. 10720-10727. 10.1021/jp411526f

Collins, Peter, Kramer, Zeb C., Carpenter, Barry K.

, Ezra, Gregory S. and Wiggins, Stephen 2014. Nonstatistical dynamics on the caldera. Journal of Chemical Physics 141 (3) , 034111. 10.1063/1.4889780

Constantinides, Christos P., Eisler, Dana J., Alberola, A., Carter, Emma

and Rawson, Jeremy M. 2014. Weakening of the pi*-pi* dimerisation in 1,2,3,5-dithiadiazolyl radicals: structural, EPR, magnetic and computational studies of dichlorophenyl dithiadiazolyls, Cl2C6H3CNSSN. Crystengcomm 16 (31) , pp. 7298-7312. 10.1039/C4CE00308J

Constantinides, Christos P., Berezin, Andrey A., Manoli, Maria, Leitus, Gregory M., Bendikov, Michael, Rawson, Jeremy M. and Koutentis, Panayiotis A. 2014. Effective exchange coupling in alternating-chains of a π-extended 1,2,4-benzotriazin-4-yl. New Journal of Chemistry 38 (3) , pp. 949-954. 10.1039/C3NJ01235B

Constantinides, Christos P., Berezin, Andrey A., Manoli, Maria, Leitus, Gregory M., Zissimou, Georgia A., Bendikov, Michael, Rawson, Jeremy M. and Koutentis, Panayiotis A. 2014. Structural, magnetic, and computational correlations of some imidazolo-fused 1,2,4-benzotriazinyl radicals. Chemistry - A European Journal 20 (18) , pp. 5388-5396. 10.1002/chem.201304538

Constantinides, Christos P., Berezin, Andrey A., Zissimou, Georgia A., Manoli, Maria, Leitus, Gregory M., Bendikov, Michael, Probert, Michael R., Rawson, Jeremy M. and Koutentis, Panayiotis A. 2014. A Magnetostructural Investigation of an Abrupt Spin Transition for 1-Phenyl-3-trifluoromethyl-1,4-dihydrobenzo[e][1,2,4]triazin-4-yl. Journal of the American Chemical Society 136 (34) , pp. 11906-11909. 10.1021/ja5063746

Coope, T S, Wass, Duncan F.

, Trask, R S and Bond, I P 2014. Repeated self-healing of microvascular carbon fibre reinforced polymer composites. Smart Materials and Structures 23 (11) , 115002. 10.1088/0964-1726/23/11/115002

Coope, Tim S., Wass, Duncan F.

, Trask, Richard S. and Bond, Ian P. 2014. Metal triflates as catalytic curing agents in self-healing fibre reinforced polymer composite materials. Macromolecular Materials and Engineering 299 (2) , pp. 208-218. 10.1002/mame.201300026

Craco, L., Laad, M. S. and Leoni, Stefano

2014. Normal-state correlated electronic structure of tetragonal FeSe superconductor. Journal of Physics: Conference Series 487 , -. 10.1088/1742-6596/487/1/012017

Craco, L., Laad, M. S. and Leoni, Stefano

2014. Orbital-selective mottness in layered iron oxychalcogenides: the case of Na2Fe2OSe2. Journal of Physics: Condensed Matter 26 (14) , -. 10.1088/0953-8984/26/14/145602

Craco, L. and Leoni, Stefano

2014. Effect of band filling in the paramagnetic tetragonal phase of iron chalcogenides. Materials Research Express 1 (3) , 036001. 10.1088/2053-1591/1/3/036001

D'Agostino, Carmine, Ryabenkova, Yulia, Miedziak, Peter John, Taylor, Stuart H.

, Gladden, Lynn F. and Mantle, Mick D. 2014. Deactivation studies of a carbon supported AuPt nanoparticulate catalyst in the liquid-phase aerobic oxidation of 1,2-propanediol. Catalysis Science & Technology 4 (5) , pp. 1313-1322. 10.1039/c4cy00027g

Daramwar, Pankaj P., Srivastava, Prabhakar Lal

, Kolet, Swati P. and Thulasiram, Hirekodathakallu V. 2014. Biocatalyst mediated regio- and stereo-selective hydroxylation and epoxidation of (Z)-α-santalol. Organic and Biomolecular Chemistry 12 (7) , pp. 1048-1051. 10.1039/c3ob42174k

Das, N. K., Rigby, K and de Leeuw, Nora H.

2014. The effect of helium nano-bubbles on the structures stability and electronic properties of palladium tritides: A density functional theory study. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 470 (2171) , 20140357. 10.1098/rspa.2014.0357

Davies, Thomas, Kean, Jacqueline R., Apperley, David C., Taylor, Stuart H.

and Graham, Andrew E. 2014. Nanoporous aluminosilicate-mediated synthesis of ethers by a dehydrative etherification approach. ACS Sustainable Chemistry & Engineering 2 (4) , pp. 860-866. 10.1021/sc400492x

Dawson, William 2014. Anaylsis of the transition state of dihydroflate reductase. PhD Thesis, Cardiff University.
Item availability restricted.

De Almeida, Andreia

, Soveral, Graca and Casini, Angela

2014. Gold compounds as aquaporin inhibitors: new opportunities for therapy and imaging. MedChemComm 5 , pp. 1444-1453. 10.1039/C4MD00265B

de Beer, Leon, Ungerer, Marietjie J.

, van der Westhuizen, Derik J. and Krieg, Henning M. 2014. The time dependent solvent extraction of Ta and Nb. Advanced Materials Research 1019 , pp. 433-438. 10.4028/www.scientific.net/AMR.1019.433

De March, Matteo, Demitri, Nicola, De Zorzi, Rita, Casini, Angela

, Gabbiani, Chiara, Guerri, Annalisa, Messori, Luigi and Geremia, Silvano 2014. Nitrate as a probe of cytochrome c surface: crystallographic identification of crucial "hot spots" for protein-protein recognition. Journal of Inorganic Chemistry 135 , pp. 58-67. 10.1016/j.jinorgbio.2014.02.015

De Savi, Chris, Cox, Rhona J., Warner, Daniel J., Cook, Anthony R., Dickinson, Mark R., McDonough, Amy, Morrill, Louis

, Parker, Beth, Andrews, Glen, Young, Simon S., Gilmour, Peter S., Riley, Rob and Dearman, Matthew S. 2014. Efficacious inhaled PDE4 inhibitors with low emetic potential and long duration of action for the treatment of COPD. Journal of Medicinal Chemistry 57 (11) , pp. 4661-4676. 10.1021/jm5001216

De visser, S. P., Quesne, Matthew, Martin, B. and Comba, P. 2014. Computational modelling of oxygenation processes in enzymes and biomimetic model complexes. Chemical Communications- Royal Society of Chemistry 50 (3) , pp. 262-282. 10.1039/C3CC47148A

Della Pia, A, Riello, M, Floris, A, Stassen, D, Jones, T.S., Bonifazi, Davide

, De Vita, A and Costantini, G 2014. Anomalous coarsening driven by reversible charge transfer in non-covalent assemblies at metal-organic interfaces. ACS Nano 8 (12) , pp. 12356-12364. 10.1021/nn505063w

Demetriou, Maria, Berezin, Andrey A., Koutentis, Panayiotis A. and Krasia-Christoforou, Theodora 2014. Benzotriazinyl-mediated controlled radical polymerization of styrene. Polymer International 63 (4) , pp. 674-679. 10.1002/pi.4566

Deng, Qing-Hai, Melen, Rebecca L.

and Gade, Lutz H. 2014. Anionic chiral tridentate N-donor pincer ligands in asymmetric catalysis. Accounts of Chemical Research , 140828133938004. 10.1021/ar5002457

Di Tommaso, D., Ruiz-Agudo, E, de Leeuw, Nora H.

, Putnis, A. and Putnis, C. V. 2014. Modelling the effects of salt solutions on the hydration of calcium ions. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (17) , pp. 7772-7785. 10.1039/c3cp54923b

Dimitratos, Nikolaos

, Hammond, Ceri

2014. Gold-based nanoparticle catalysts for catalytic applications [Abstract]. Abstracts of Papers of the American Chemical Society 248 , 1 p..

Dimitratos, Nikolaos

, Hammond, Ceri

2014. Gold-based nanoparticle catalysts for catalytic applications. Zhou, Bing, Han, Scott, Raja, Robert and Somorjai, Gabor A., eds. Nanotechnology in Catalysis, Vol. 248. Nanostructure Science and Technology, Springer, pp. 289-307. (10.1007/978-0-387-34688-5_14)

Dimitratos, Nikolaos

, Hammond, Ceri

, Kiely, Christopher John

2014. Catalysis using colloidal-supported gold-based nanoparticles. Applied Petrochemical Research 4 (1) , pp. 85-94. 10.1007/s13203-014-0059-9

Dimitratos, Nikolaos

, Lopez-Sanchez, Jose A and Hutchings, Graham J

2014. Supported metal nanoparticles in liquid-phase oxidation reactions. Duprez, D and Cavani, F, eds. Handbook Of Advanced Methods And Processes In Oxidation Catalysis: From Laboratory To Industry, London,UK: Imperial College Press, pp. 631-678. (10.1142/9781848167513_0022)

Doungmene, Floriant, Aparicio Sanchez, Pablo

, Ntienoue, Joseline, Mezui, Charyle S. Ayingone, de Oliveira, Pedro, López, Xavier and Mbomekallé, Israël M. 2014. Electrochemical behaviour of mixed d metal-iron containing Wells-Dawson sandwich-type complexes: [(FeOH2)2M2(X2W15O56)2]n- and [(MOH2)2Fe2(X2W15O56)2]n- (M = CrIII, MnIII, MnII, CoII, NiII, CuII, ZnII, X = AsV or PV and n = 12 or 14). Electrochimica Acta 125 , pp. 674-682. 10.1016/j.electacta.2014.01.151

Downing, C. A., Sokol, A. A. and Catlow, Charles

2014. The reactivity of CO2 and H-2 at trapped electron sites at an oxide surface. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (39) , pp. 21153-21156. 10.1039/C4CP02610A

Dürüst, Yaşar, Sağırlı, Akın, Kariuki, Benson

and Knight, David William 2014. [1,3]-Dipolar cycloaddition of N-aryl sydnones to benzothiophene 1,1-dioxide, 1-cyclopropylprop-2-yn-1-ol and 1-(prop-2-ynyl)-1H-indole. Tetrahedron 70 (35) , pp. 6012-6019. 10.1016/j.tet.2014.04.083

Dzade, N. Y.

, Roldan, A. and de Leeuw, N. H.

2014. The surface chemistry of NOx on mackinawite (FeS) surfaces: a DFT-D2 study. Physical Chemistry Chemical Physics 16 (29) , pp. 15444-15456. 10.1039/c4cp01138d

Dzade, Nelson

2014. A density functional theory study of the adsorption of benzene on hematite (α-Fe2O3) surfaces. Minerals 4 (1) , pp. 89-115. 10.3390/min4010089

Easun, Timothy

, Jia, Junhua, Calladine, James A., Blackmore, Danielle L., Stapleton, Christopher S., Vuong, Khuong Q., Champness, Neil R. and George, Michael W. 2014. Photochemistry in a 3D metal-organic framework (MOF): Monitoring intermediates and reactivity of the fac-to-mer photoisomerization of Re(diimine)(CO)(3)Cl incorporated in a MOF. Inorganic Chemistry 53 (5) , pp. 2606-2612. 10.1021/ic402955e

Easun, Timothy

, Jia, Junhua, Reade, Thomas J., Sun, Xue-Zhong, Davies, E. Stephen, Blake, Alexander J., George, Michael W. and Champness, Neil R. 2014. Modification of coordination networks through a photoinduced charge transfer process. Chemical Science 5 (2) , pp. 539-544. 10.1039/C3SC52745J

Edwards-Gau, Gregory R. 2014. X-ray Birefringence Imaging and other fundamental aspects of solid organic inclusion compounds. PhD Thesis, Cardiff University.
Item availability restricted.

Edwards, Jennifer K.

, Pritchard, James, Lu, Li, Piccinini, Marco

, Shaw, Greg, Carley, Albert F., Morgan, David J.

, Kiely, Christopher J.

2014. The direct synthesis of hydrogen peroxide using platinum-promoted gold-palladium catalysts. Angewandte Chemie International Edition 53 (9) , pp. 2381-2384. 10.1002/anie.201308067

Edwards, Jennifer Kelly

, Freakley, Simon J., Carley, Albert Frederick, Kiely, Christopher J.

2014. Strategies for designing supported gold-palladium bimetallic catalysts for the direct synthesis of hydrogen peroxide. Accounts of Chemical Research 47 (3) , pp. 845-854. 10.1021/ar400177c

Edwards, Jennifer Kelly

, Pritchard, J., Miedziak, Peter John, Piccinini, M, Carley, Albert Frederick, He, Q., Kiely, Christopher John

2014. The direct synthesis of hydrogen peroxide using platinum promoted gold-palladium catalysts. Catalysis Science and Technology -Cambridge- 4 (9) , pp. 3244-3250. 10.1039/c4cy00496e

Edwards, Peter Gerald

, Tallis, Huw A. and Williams, Craig 2014. Aspects of the coordination chemistry of rac-trans-1,2-diphosphinocyclohexane and the preparation of reinforced 9aneP3and 9anePN2macrocycles. Dalton Transactions 43 (41) , pp. 15532-15545. 10.1039/C4DT02239D

Edwards, Peter Gerald

and Zhang, Wenjiang 2014. Peripheral methyl activation in η4-1,2,3,4-tetramethylcyclobutadienylcobalt complexes: template synthesis and subsequent reactivity of triphosphamacrocycles. Organometallics 33 (19) , pp. 5440-5447. 10.1021/om500734b

Edwards, Peter Gerald

, Mahon, Mary F., Newman, Paul David

, Reixach, Elisenda and Zhang, Wenjiang 2014. Manganese(i) templates for the construction of benzannulated triphosphamacrocycles. Dalton Transactions 43 , pp. 15646-15655. 10.1039/C4DT02203C

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Jones, D. Heulyn and Kariuki, Benson

2014. 2-Ethyl-3-[(R)-2-phenylbutanamido]quinazolin-4(3H)-one monohydrate. Acta Crystallographica Section E - Structure Reports Online 70 (4) , o467. 10.1107/S1600536814005996

El-Hiti, Gamal A., Smith, Keith, Balakit, Asim A., Hegazy, Amany S. and Kariuki, Benson

2014. 2,2-Dimethyl-N-(4-methylpyridin-2-yl)propanamide. Acta Crystallographica Section E - Structure Reports Online 70 (3) , o351-o352. 10.1107/S1600536814003729

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Ajarim, Mansour D. and Kariuki, Benson

2014. Crystal structure of 2-[4-(methylsulfanyl)quinazolin-2-yl]-1-phenylethanol. Acta Crystallographica Section E - Structure Reports Online 70 (10) , o1101. 10.1107/S1600536814019990

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alotaibi, Mohammad Hayal and Kariuki, Benson

2014. 1-(2-Bromo-4-chlorophenyl)-3,3-dimethylthiourea. Acta Crystallographica Section E - Structure Reports Online 70 (6) , o704. 10.1107/S1600536814011350

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson

2014. Crystal structure of 4-methoxyquinazoline. Acta Crystallographica Section E - Structure Reports Online 70 (12) , o1279. 10.1107/S1600536814025082

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Alshammari, Mohammed B. and Kariuki, Benson

2014. Crystal structure of 4,4-dibutyl-2-phenyl-3,4-dihydroquinazoline. Acta Crystallographica Section E - Structure Reports Online 70 (10) , o1100. 10.1107/S1600536814020017

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Baashen, Mohammed and Kariuki, Benson

2014. Crystal structure of 4-(2,2-dimethylpropanamido)pyridin-3-ylN,N-diisopropyldithiocarbamate. Acta Crystallographica Section E - Structure Reports Online 70 (9) , o1069-o1070. 10.1107/S1600536814019321

El-Hiti, Gamal A., Smith, Keith, Hegazy, Amany S., Masmali, Ali and Kariuki, Benson

2014. Crystal structure of 2-tert-butyl-1,3-thiazolo[4,5-b]pyridine. Acta Crystallographica Section E - Structure Reports Online 70 (9) , o932. 10.1107/S160053681401633X

Elek, Henriett, Smart, Lesley, Ahmad, S., Anda, Angéla, Werner, C. and Pickett, J.

2014. A comparison of the levels of hydroxamic acids in Aegilops speltoidesand a hexaploid wheat and effects on Rhopalosiphum padibehaviour and fecundity. Acta Biologica Hungarica 65 (1) , p. 38. 10.1556/ABiol.65.2014.1.4

Elliott, Mark Christopher

and Jones, Dyfyr Heulyn 2014. [4 + 2] Cycloaddition as the key step. Muller, T. J. J., ed. Multicomponent Reactions 2. Reactions Involving an a,b-Unsaturated Carbonyl Compound as Electrophilic Component, Cycloadditions, and Boron-, Silicon-, Free-Radical-, and Metal-Mediated Reactions, Düsseldorf: Thieme, pp. 243-286.

Elliott, Mark Christopher

and Hewitt, Natalie L. 2014. Partial reduction of benzenoid aromatic rings by dissolving metals and by other methods. Reference module in chemistry, molecular sciences and chemical engineering: Comprehensive Organic Synthesis II, Vol. 8. Elsevier, pp. 639-672. (10.1016/B978-0-08-097742-3.00821-1)

Elsherbini, Mohamed Sobh, Hamama, Wafaa S., Zoorob, Hanafi H., Bhowmick, Debasish, Mugesh, Govindasamy and Wirth, Thomas

2014. Synthesis and antioxidant activities of novel chiral ebselen analogues. Heteroatom Chemistry 25 (5) , pp. 320-325. 10.1002/hc.21164

Enache, M, Maggini, L, Llanes-Pallas, A, Jung, T.A., Bonifazi, Davide

and Stöhr, Meike 2014. Coverage dependent disorder-to-order phase transformation of an uracil-derivative on Ag(111). Journal of Physical Chemistry C 118 (28) , pp. 15286-15291. 10.1021/jp503188m

Fabbro, C., Armani, S., De Leo, F., Carloni, L.-E., Wouters, J. and Bonifazi, Davide

2014. 2,5-Diamide-subtituted five-membered heterocycles: challenging molecular synthones. European Journal of Organic Chemistry 25 , pp. 5487-5500. 10.1002/ejoc.201402654

Fan, Zhaoyu, Tay, Astrid, Pera-Titus, Marc, Zhou, Wen-Juan, Benhabbari, Samy, Feng, Xiaoshuang, Malcouronne, Guillaume, Bonneviot, Laurent, De Campo, Floryan, Wang, Limin and Clacens, Jean-Marc 2014. Pickering interfacial catalysts for solvent-free biomass transformation: physicochemical behavior of non-aqueous emulsions. Journal of Colloid and Interface Science 427 , pp. 80-90. 10.1016/j.jcis.2013.11.047

Farias, L R, Paula, D P, Zhou, J J, Liu, R, Pappas, G J, Moraes, M C B, Laumann, R A, Borges, M, Birkett, M A, Pickett, J A

, Field, L M and Báo, S N 2014. Identification and expression profile of two putative odorant-binding proteins from the neotropical brown stink bug, Euschistus heros (Fabricius) (Hemiptera: Pentatomidae). NEOTROPICAL ENTOMOLOGY 43 (2) , pp. 106-114. 10.1007/s13744-013-0187-4

Farrow, Matthew, Buckeridge, John, Catlow, Charles Richard

, Logsdail, Andrew

, Scanlon, David, Sokol, Alexey and Woodley, Scott 2014. From stable ZnO and GaN clusters to novel double bubbles and frameworks. Inorganics 2 (2) , pp. 248-263. 10.3390/inorganics2020248

Fiorani, Giulia, Selva, Maurizio, Perosa, Alvise, Benedetti, Alvise, Enrichi, Francesco, Licence, Peter and Easun, Timothy

2014. Luminescent dansyl-based ionic liquids from amino acids and methylcarbonate onium salt precursors: synthesis and photobehaviour. Green Chemistry 17 (1) , pp. 538-550. 10.1039/C4GC01198H

Fisher, Christopher M., Fuller, Euan, Burke, Benjamin P., Mogilireddy, Vijetha, Pope, Simon J. A.

, Sparke, Amanda E., Déchamps-Olivier, Isabelle, Cadiou, Cyril, Chuburu, Françoise, Faulkner, Stephen and Archibald, Stephen J. 2014. A benzimidazole functionalised DO3A chelator showing pH switchable coordination modes with lanthanide ions. Dalton Transactions 43 , pp. 9567-9578. 10.1039/c4dt00519h

Foerster, Christian, Knight, James C., Wuest, Melinda, Rowan, Brendan, Lapi, Suzanne E., Amoroso, Angelo James

, Edwards, Peter G. and Wuest, Frank 2014. Synthesis, complex stability and small animal PET imaging of a novel 64Cu-labelled cryptand molecule. MedChemComm 5 (7) , pp. 958-962. 10.1039/c4md00174e

Foerster, Christian, Knight, James C., Wuest, Melinda, Rowan, Brendan, Lapi, Suzanne E., Amoroso, Angelo James

, Edwards, Peter G. and Wuest, Frank 2014. [64Cu]Cu-CryptTM – A novel cryptate for copper-64? Nuclear Medicine and Biology 41 (7) , p. 633. 10.1016/j.nucmedbio.2014.05.127

Folli, Andrea

, Bloh, Jonathan Z., Strøm, Michael, Pilegaard Madsen, Thomas, Henriksen, Trine and Macphee, Donald E. 2014. Efficiency of solar-light-driven TiO2 photocatalysis at different latitudes and seasons. Where and when does TiO2 really work? Journal of Physical Chemistry Letters 5 (5) , pp. 830-832. 10.1021/jz402704n

Forde, Michael M., Kesavan, Lokesh, Izham bin Saiman, Mohd, He, Qian

, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Jenkins, Robert Leyshon, Taylor, Stuart H.

, Kiely, Christopher

2014. High activity redox catalysts synthesized by chemical vapor impregnation. ACS Nano 8 (1) , pp. 957-969. 10.1021/nn405757q

Forde, Michael, Armstrong, Robert, McVicker, Rebecca, Wells, Peter P., Dimitratos, Nikolaos

, He, Qian

, Lu, Li, Jenkins, Robert Leyshon, Hammond, Ceri

, Lopez-Sanchez, Jose Antonio, Kiely, Christopher

2014. Light alkane oxidation using catalysts prepared by chemical vapour impregnation: tuning alcohol selectivity through catalyst pre-treatment. Chemical Science 5 (9) , pp. 3603-3616. 10.1039/C4SC00545G

Forrest, Sebastian J. K., Pringle, Paul G., Sparkes, Hazel A. and Wass, Duncan F.

2014. Reversible CO exchange at platinum(0). An example of similar complex properties produced by ligands with very different stereoelectronic characteristics. Dalton Transactions 43 , pp. 16335-16344. 10.1039/C4DT02303J

Freakley, Simon, He, Qian

, Kiely, Christopher John

2014. Gold catalysis: a reflection on where we are now. Catalysis Letters 145 (1) , pp. 71-79. 10.1007/s10562-014-1432-0

Frik, M., Jimenez, J., Vasilevski, V., Carreira, M., De Almeida, Andreia

, Gascon, E., Benoit, F., Sanau, M., Casini, Angela

and Contel, M. 2014. Luminescent iminophosphorane gold, palladium and platinum complexes as potential anticancer agents. Inorganic Chemistry Frontiers 1 (3) , pp. 231-241. 10.1039/c4qi00003j

Garcia, Tomas, Solsona, Benjamin and Taylor, Stuart H.

2014. The catalytic oxidation of hydrocarbon volatile organic compounds. Duprez, Daniel and Cavani, Fabrizio, eds. Handbook of Advanced Methods and Processes in Oxidation Catalysis, London: Imperial College Press, pp. 51-90. (10.1142/9781848167513_0003)

Giannakopoulou, Artemis, Schornack, Sebastian, Bozkurt, Tolga O., Haart, Dave, Ro, Dae-Kyun, Faraldos, Juan A., Kamoun, Sophien and O'Maille, Paul E. 2014. Variation in capsidiol sensitivity between Phytophthora infestans and Phytophthora capsici is consistent with their host range. PLoS ONE 9 (9) , e107462. 10.1371/journal.pone.0107462

Gkionis, Konstantinos, Kruse, Holger, Platts, James Alexis

, Mladek, Arnost, Koca, Jaroslav and Sponer, Jiri 2014. Ion binding to quadruplex DNA stems. Comparison of MM and QM descriptions reveals sizable polarization effects not included in contemporary simulations. Journal of Chemical Theory and Computation 10 (3) , pp. 1326-1340. 10.1021/ct4009969

Golunski, Stanislaw

2014. Wastewater treatment - the catalytic approach. The Chemical Engineer (882) , pp. 26-28.

Gonzaga De Oliveira, Luciana, Tormet Gonzalez, Gabriela D., Samborsky, Markyian, Marcon, Joelma, Araujo, Welington L. and de Azevedo, João Lucio 2014. Genome sequence of Streptomyces wadayamensis strain A23, an endophytic actinobacterium from Citrus reticulata. Genome Announcements 2 (4) , e00625-14. 10.1128/genomeA.00625-14

Gonzalez, Veronica, Touchet, Sabrina, Grundy, Daniel J., Faraldos, Juan A. and Allemann, Rudolf K.

2014. Evolutionary and mechanistic insights from the reconstruction of α-humulene synthases from a modern (+)-Germacrene A synthase. Journal of the American Chemical Society 136 (41) , pp. 14505-14512. 10.1021/ja5066366

Gonzalez-Lopez, J., Ruiz Hernandez, Sergio

, Fernandez-Gonzalez, T., Jimenez, A., de Leeuw, Nora H.

and Grau-Crespo, R. 2014. Cobalt incorporation in calcite: Thermochemistry of (Ca, Co)CO3 solid solutions from density functional theory simulations. Geochimica et Cosmochimica Acta 142 (1) , pp. 205-216. 10.1016/j.gca.2014.07.026

Götze, Sebastian, Azzouz, Nahid, Tsai, Yu-Hsuan

, Groß, Uwe, Reinhardt, Anika, Anish, Chakkumkal, Seeberger, Peter H. and Varón Silva, Daniel 2014. Diagnosis of toxoplasmosis using a synthetic glycosylphosphatidylinositol glycan. Angewandte Chemie International Edition 53 (50) , pp. 13701-13705. 10.1002/anie.201406706

Grazziotin-Soares, R., Nekoofar, M. H., Davies, T. E., Bafail, A., Alhaddar, E., Hübler, R., Busato, A. L. S. and Dummer, P. M. H.

2014. Effect of bismuth oxide on white mineral trioxide aggregate: chemical characterization and physical properties. International Endodontic Journal 47 (6) , pp. 520-533. 10.1111/iej.12181

Griffith, Elizabeth C., Rapf, Rebecca J., Shoemaker, Richard K., Carpenter, Barry K.

and Vaida, Veronica 2014. Photoinitiated synthesis of self-assembled vesicles. Journal of the American Chemical Society 136 (10) , pp. 3784-3787. 10.1021/ja5006256

Guan, Shaoliang 2014. Determination of the role of nanoparticle active sites in catalytic hydrogenation reactions by cyclic voltammetry and novel in-situ surface spectroscopy. PhD Thesis, Cardiff University.

Item availability restricted.

Gunnlaugsson, Thorfinnur and Pope, Simon J.A.

2014. Chapter 6: lanthanide ion complexes as chemosensors. Bettencourt-Dias, A, ed. Luminescence of Lanthanide Ions in Coordination Compounds and Nanomaterials, Wiley-Blackwell, p. 231. (10.1002/9781118682760.ch06)

Guo, Jian Nan, Luk, Louis Yu Pan

, Loveridge, Edric Joel and Allemann, Rudolf Konrad

2014. Thermal adaptation of dihydrofolate reductase from the moderate thermophile geobacillus stearothermophilus. Biochemistry 53 (17) , pp. 2855-2863. 10.1021/bi500238q

Hahn, Eva M., Casini, Angela

and Kuehn, Fritz E. 2014. Re(VII) and Tc(VII) trioxo complexes stabilized by tridentate ligands and their potential use as radiopharmaceuticals. Coordination Chemistry Reviews 276 , pp. 97-111. 10.1016/j.ccr.2014.05.021

Haider, Muhammad, D'Agostino, Carmine, Dummer, Nicholas Frank

, Mantle, Mick D., Knight, David, Willock, David

2014. The effect of grafting zirconia and ceria onto alumina as a support for silicotungstic acid for the catalytic dehydration of glycerol to acrolein. Chemistry - a European Journal 20 (6) , pp. 1743-1752. 10.1002/chem.201302348

Haider, Saima, Roldan Martinez, Alberto

2014. Catalytic dissociation of water on the (001), (011), and (111) surfaces of violarite, FeNi2S4: A DFT-D2 Study. Journal of Physical Chemistry C 118 (4) , pp. 1958-1967. 10.1021/jp409522q

Hallett, Andrew Jon, Broomfield, Matthew, Christian, Paul and Pope, Simon J. A.

2014. Silver nanoparticles functionalised with a luminescent iridium complex: phosphorescent hybrid materials. Transition Metal Chemistry 39 (2) , pp. 195-198. 10.1007/s11243-013-9789-2

Han, Xiaoyu, Stewart, Henry Morgan, Shevlin, Stephen A. and Catlow, Charles

2014. Strain and orientation modulated bandgaps and effective masses of phosphorene nanoribbons. Nano Letters 14 (8) , pp. 4607-4614. 10.1021/nl501658d

Hansmann, Max M., Melen, Rebecca L.

, Rominger, Frank, Hashmi, A. Stephen K. and Stephan, Douglas W. 2014. Activation of alkynes with B(C6F5)3 – boron allylation reagents derived from propargyl esters. Journal of the American Chemical Society 136 (2) , pp. 777-782. 10.1021/ja4110842

Hansmann, Max M., Melen, Rebecca L.

, Rominger, Frank, Hashmi, A. Stephen K. and Stephan, Douglas W. 2014. B(C6F5)3 promoted cyclisation of internal propargyl esters: structural characterisation of 1,3-dioxolium compounds. Chemical Communications 50 (55) , pp. 7243-7245. 10.1039/c4cc01370k

Harris, Kenneth David Maclean

and Williams, Philip Andrew 2014. Powder diffraction. Bruce, Duncan W., O'Hare, Dermot and Walton, Richard I., eds. Structure from Diffraction Methods, Wiley-Blackwell, Ch.1. (10.1002/9781118695708.ch1)

Harris, Peter J. F., Slater, Thomas J. A.

, Haigh, Sarah J., Hage, Fredrik S., Kepaptsoglou, Despoina M., Ramasse, Quentin M. and Brydson, Rik 2014. Bilayer graphene formed by passage of current through graphite: evidence for a three-dimensional structure. Nanotechnology 25 (46) , 465601. 10.1088/0957-4484/25/46/465601

Hartati, Hartati, Prasetyoko, Didik, Santoso, Mardi, Bahruji, Hasliza and Triwahyono, Sugeng 2014. Highly active aluminosilicates with a hierarchical porous structure for acetalization of 3,4-dimethoxybenzaldehyde. Jurnal Teknologi 69 (5) , pp. 25-30. 10.11113/jt.v69.3198

Hashem, Emtithal, Platts, James Alexis

, Hartl, František, Lorusso, Giulia, Evangelisti, Marco, Schulzke, Carola and Baker, Robert J. 2014. Thiocyanate complexes of uranium in multiple oxidation states: a combined structural, magnetic, spectroscopic, spectroelectrochemical and theoretical study. Inorganic Chemistry 53 (16) , pp. 8624-8637. 10.1021/ic501236j

Hatcher, Lauren E.

, Bigos, Edward J., Bryant, Mathew J., MacCready, Emily M., Robinson, Thomas P., Saunders, Lucy K., Thomas, Lynne H., Beavers, Christine M., Teat, Simon J., Christensen, Jeppe and Raithby, Paul R. 2014. Thermal and photochemical control of nitro-nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO]. CrystEngComm 16 (35) 10.1039/C4CE00675E

Hatcher, Lauren E.

, Christensen, Jeppe, Hamilton, Michelle L., Trincao, Jose, Allan, David R., Warren, Mark R., Clarke, Ian P., Towrie, Michael, Fuertes, Dr Sara, Wilson, Charles C., Woodall, Christopher H. and Raithby, Paul R. 2014. Steady‐state and pseudo‐steady‐state photocrystallographic studies on linkageiIsomers of [Ni(Et4dien)(η2‐O,ON)(η1‐NO2)]: identification of a new linkage isomer. Chemistry - A European Journal 20 (11) , pp. 3128-3134. 10.1002/chem.201304172

Hatcher, Lauren E.

and Raithby, Paul R. 2014. Dynamic single-crystal diffraction studies using synchrotron radiation. Coordination Chemistry Reviews 277-27 , pp. 69-79. 10.1016/j.ccr.2014.02.021

Hernandez-Ortega, A, Quesne, Matthew, Bui, S, Heuts, D. P. H. M, Steiner, R. A, Heyes, D. J, De visser, S. P and Scrutton, N. S 2014. Origin of the proton-transfer step in the cofactor-free 1-H-3-hydroxy-4-oxoquinaldine 2,4- dioxygenase: Effect of the basicity of an active site His residue. Journal of Biological Chemistry 289 (12) , pp. 8620-8632. 10.1074/jbc.M113.543033

Hickey, Niamh 2014. Density functional theory study of the selective oxidation of polynuclear aromatic hydrocarbons. PhD Thesis, Cardiff University.

Item availability restricted.

Hicks, Jamie, Hoyer, Chad E., Moubaraki, Boujemaa, Manni, Giovanni Li, Carter, Emma

, Murray, Keith S., Gagliardi, Laura and Jones, Cameron 2014. A two-coordinate manganese(0) complex with an unsupported Mn-Mg bond: allowing access to low coordinate homo- and heterobimetallic compounds. Journal of the American Chemical Society 136 (14) , pp. 5283-5286. 10.1021/ja5021348

Hoh, Soon Wen 2014. Oxidation catalysis using transition metals and rare earth oxides. PhD Thesis, Cardiff University.

Item availability restricted.

Holden, Daniel, Jelfs, Kim E., Trewin, Abbie, Willock, David J.

, Harancayck, Maciej and Cooper, Andrew I. 2014. Gas diffusion in a porous organic cage: analysis of dynamic pore connectivity using molecular dynamics simulations. Journal of Physical Chemistry C 118 (24) , pp. 12734-12743. 10.1021/jp500293s

Holland, Edward 2014. Design of renewable amines for photochemical carbon dioxide reduction. PhD Thesis, Cardiff University.

Item availability restricted.

Hollingsworth, Nathan, Roffey, Anna, Islam, Husn-Ubayda, Mercy, Maxime, Roldan Martinez, Alberto

, Bras, Wim, Wolthers, Mariette, Catlow, Charles

, Sankar, Gopinathan, Hogarth, Graeme and de Leeuw, Nora H.

2014. Active nature of primary amines during thermal decomposition of nickel dithiocarbamates to nickel sulfide nanoparticles. Chemistry of Materials 26 (21) , pp. 6281-6292. 10.1021/cm503174z

Hossain, G. M. Golzar and Amoroso, Angelo James

2014. Bis[4-amino-N-(4-methylpyrimidin-2-yl-[kappa]N3)benzenesulfonamidato-[kappa]N](2,2'-bipyridine-[kappa]2N,N')mercury(II). Acta Crystallographica Section E - Structure Reports Online 70 (4) , m127-m128. 10.1107/S1600536814004760

Hotchen, Christopher E., Attard, Gary Anthony, Bull, Steven D. and Marken, Frank 2014. One-step electroless growth of nano-fibrous platinum catalyst from “paint-on” PtCl62- solution in poly-(ethylene-glycol). Electrochimica Acta 137 , pp. 484-488. 10.1016/j.electacta.2014.06.001

Hughes, Colan E., Williams, P. Andrew and Harris, Kenneth D. M.

2014. "Classic NMR": an in-situ NMR strategy for mapping the time-evolution of crystallization processes by combined liquid-state and solid-state measurements. Angewandte Chemie International Edition 53 (34) , pp. 8939-8943. 10.1002/anie.201404266

Hull, Claire M, Loveridge, Edric Joel, Donnison, Iain S, Kelly, Diane E and Kelly, Steven L 2014. Co-production of bioethanol and probiotic yeast biomass from agricultural feedstock: application of the rural biorefinery concept. AMB Express 4 (1) , 64. 10.1186/s13568-014-0064-5

Hull, Claire M, Loveridge, Edric Joel, Rolley, Nicola J, Donnison, Iain S, Kelly, Steven L and Kelly, Diane E 2014. Co-production of ethanol and squalene using a Saccharomyces cerevisiae ERG1 (squalene epoxidase) mutant and agro-industrial feedstock. Biotechnology for Biofuels 7 (1) , 133. 10.1186/s13068-014-0133-7

Hurcom, Jamie, Paul, Alison

, Heenan, Richard K, Davies, Alun M., Woodman, Nicholas, Schweins, Ralf and Griffiths, Peter C. 2014. The interfacial structure of polymeric surfactant stabilised air-in-water foams. Soft Matter 10 (17) , pp. 3003-3008. 10.1039/C3SM52877D

Hutchings, Graham J.

2014. Au catalysts for acetylene hydrochlorination and carbon monoxide oxidation. Topics in Catalysis 57 (14-16) , pp. 1265-1271. 10.1007/s11244-014-0290-8

Hutchings, Graham John

2014. Selective oxidation using supported gold bimetallic and trimetallic nanoparticles. Catalysis Today 238 , pp. 69-73. 10.1016/j.cattod.2014.01.033

Iqbal, S., Podgaynyy, N., Ahmed, M., Attard, Gary Anthony and Baltruschat, H. 2014. Surface morphological studies of Nafion®/Pt(100) interface. Electrochimica Acta 144 , pp. 141-146. 10.1016/j.electacta.2014.08.086

Iqbal, Sarwat, Liu, Xi, Aldosari, Obaid F., Miedziak, Peter John, Edwards, Jennifer Kelly

, Brett, Gemma Louise, Akram, Adeeba, King, Gavin Morgan, Davies, Thomas E., Morgan, David John

, Knight, David William and Hutchings, Graham John

2014. Conversion of furfuryl alcohol into 2-methylfuran at room temperature using Pd/TiO2 catalyst. Catalysis Science & Technology 4 (8) , pp. 2280-2286. 10.1039/c4cy00184b

Isaacs, Mark

2014. Nanoengineered polymer architectures for antimicrobial medical applications: Novel additives. PhD Thesis, Cardiff University.

Item availability restricted.

Iwama, Sekai, Kuyama, Kazunori, Mori, Yuko, Manoj, Kochunnoonny, Gonnade, Rajesh G., Suzuki, Katsuaki, Hughes, Colan Evan, Williams, Philip Andrew, Harris, Kenneth David Maclean

, Veesler, Stéphane, Takahashi, Hiroki, Tsue, Hirohito and Tamura, Rui 2014. Highly efficient chiral resolution of dl-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions. Chemistry - a European Journal 20 (33) , pp. 10343-10350. 10.1002/chem.201402446

James, Craig, Hatzopoulos, Marios Hopkins, Yan, Ci, Smith, Gregory N., Alexander, Shirin, Rogers, Sarah E. and Eastoe, Julian 2014. Shape transitions in supercritical CO2 microemulsions induced by hydrotropes. Langmuir 30 (1) , pp. 96-102. 10.1021/la404144a

Jastrzebski, R., Quesne, Matthew, Weckhuysen, B. M., De visser, S. P. and Bruijinicx, P. C. A. 2014. Experimental and computational evidence for the mechanism of intradiol catechol dioxygenation by non-heme iron(III) complexes. Chemistry - a European Journal 20 (48) , pp. 15686-15691. 10.1002/chem.201404988

Jessen, Henning J., Ahmed, Nisar

and Hofer, Alexandre 2014. Phosphate esters and anhydrides - recent strategies targeting nature's favoured modifications. Organic & Biomolecular Chemistry 12 (22) , pp. 3526-3530. 10.1039/c4ob00478g

Jiang, Dong, Wang, Wenzhong, Gao, Erping, Sun, Songmei and Zhang, Ling 2014. Highly selective defect-mediated photochemical CO2 conversion over fluorite ceria under ambient conditions. Chemical Communications 50 (16) , p. 2005. 10.1039/c3cc47806h

Jiang, Dong, Wang, Wenzhong, Sun, Songmei, Zhang, Ling and Zheng, Yali 2014. Equilibrating the Plasmonic and Catalytic Roles of Metallic Nanostructures in Photocatalytic Oxidation over Au-Modified CeO2. ACS Catalysis 5 (2) , 613--621. 10.1021/cs501633q

Jin, Yi

, Bhattasali, Debabrata, Pellegrini, Erika, Forget, Stephanie M., Baxter, Nicola J., Cliff, Matthew J., Bowler, Matthew W., Jakeman, David L., Blackburn, G. Michael and Waltho, Jonathan P. 2014. α-Fluorophosphonates reveal how a phosphomutase conserves transition state conformation over hexose recognition in its two-step reaction. Proceedings of the National Academy of Sciences 111 (34) , pp. 12384-12389. 10.1073/pnas.1402850111

Johns, Jeffrey J. and Platts, James Alexis

2014. Theoretical insight into the antioxidant properties of melatonin and derivatives. Organic and Biomolecular Chemistry 12 , pp. 7820-7827. 10.1039/C4OB01396D

Johnson, Jamie 2014. Exploring nonstatistical dynamic effects in exothermic organic reactions. PhD Thesis, Cardiff University.

Item availability restricted.

Jones, Christopher David 2014. Characterisation and catalytic testing of heteropoly acids on porous silica supports. MPhil Thesis, Cardiff University.

Item availability restricted.

Jones, Wilm Vincent, Su, Ren, Wells, Peter P., Shen, Yanbin, Dimitratos, Nikolaos

, Iversen, Bo B., Chutia, Arunabhiram, Besenbacher, Flemming and Hutchings, Graham John

2014. Optimised photocatalytic hydrogen production using core-shell AuPd promoters with controlled shell thickness. Physical Chemistry Chemical Physics 16 , pp. 26638-26644. 10.1039/C4CP04693E

Kabeshov, Mikhail A., Musio, Biagia, Murray, Philip R. D., Browne, Duncan L.

and Ley, Steven V. 2014. Expedient preparation of nazlinine and a small library of indole alkaloids using flow electrochemistry as an enabling technology. Organic Letters 16 (17) , pp. 4618-4621. 10.1021/ol502201d

Kalashnyk, N., Nagaswaran, P. G., Kervyn, S, Riello, M, Moreton, B, Jones, T. S., De Vita, A., Bonifazi, Davide

and Costantini, G. 2014. Self-assembly of decoupled borazines on metal surfaces. Chemistry - a European Journal 20 (37) , pp. 11856-11862. 10.1002/chem.201402839

Kamble, M. M., Waman, V. S., Mayabadi, A. H., Ghosh, S. S., Gabhale, B. B., Rondiya, S. R., Rokade, A. V., Khadtare, S. S., Sathe, V. G., Shripathi, T., Pathan, H. M., Gosavi, S. W. and Jadkar, S. R. 2014. Hydrogenated silicon carbide thin films prepared with high deposition rate by hot wire chemical vapor deposition method. Journal of Coatings 2014 , 905903. 10.1155/2014/905903

Iqbal, Sarwat 2014. Catalyst for selective synthesis of lower hydrocarbons from syngas. WO 2014174374 A2 20141030. [Patent].

Kariuki, Benson

and Al-Sudani, Abdul-Razak H. 2014. Crystal structure of bis{N-[2-(dimethylamino)ethyl]quinolin-8-amine-3N,N',N''}nickel(II) dichloride 3.5-hydrate. Acta Crystallographica Section E - Structure Reports Online 70 (9) , m339-m340. 10.1107/S1600536814019035

Kariuki, Benson

2014. It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N′ ligand. Dalton Transactions 43 (7) , pp. 2971-2978. 10.1039/c3dt52841c

Karmani, L., Bouchat, V., Bouzin, C., Leveque, P., Labar, D., Bol, A., Deumer, G., Marega, R., Bonifazi, Davide

, Haufroid, V., Michiels, C., Gregoire, V., Feron, O., Lucas, S., Vander Borght, T.. and Gallez, B. 2014. 89Zr-labeled anti-endoglin antibody-targeted gold nanoparticles for imaging cancer: implications for future cancer therapy. Nanomedicine 9 (13) , pp. 1923-1937. 10.2217/nnm.13.185

Kellici, Suela, Acord, John, Ball, Jeremy, Reehal, Haricharan S., Morgan, David John

and Saha, Basudeb 2014. A single rapid route for the synthesis of reduced graphene oxide with antibacterial activities. RSC Advances 4 (29) , pp. 14858-14861. 10.1039/c3ra47573e

Kent, Mark A., Woodall, Christopher H., Haddow, Mairi F., McMullin, Claire L., Pringle, Paul G. and Wass, Duncan F.

2014. Cobalt PCP pincer complexes via an unexpected sequence of ortho metalations. Organometallics 33 (20) , pp. 5686-5692. 10.1021/om500079j

Khan, Rais Ahmad, Al-Farhan, Khalid, De Almeida, Andreia

, Alsalme, Ali, Casini, Angela

, Ghazzali, Mohamed and Reedijk, Jan 2014. Light-stable bis(norharmane)silver(I) compounds: synthesis, characterization and antiproliferative effects in cancer cells. Journal of Inorganic Biochemistry 140 , pp. 1-5. 10.1016/j.jinorgbio.2014.06.019

Khan, Rais Ahmad, Khalid, Al-Farhan, De Almeida, Andreia

, Alsalme, Ali, Casini, Angela

, Ghazzali, Mohamed and Reedijk, Jan 2014. Silver(I) bis(norharmane) compounds: synthesis, 3D structures and cytostatic properties. Journal of Biological Inorganic Chemistry 19 , S799.

Khan, Z. R., Midega, C. A. O., Nyang'au, I. M., Murage, A., Pittchar, J., Agutu, L. O., Amudavi, D. M. and Pickett, J. A.

2014. Farmers' knowledge and perceptions of the stunting disease of Napier grass in Western Kenya. Plant Pathology 63 (6) , pp. 1426-1435. 10.1111/ppa.12215

Khan, Z. R., Midega, C. A. O., Pittchar, J. O., Murage, A. W., Birkett, M. A., Bruce, T. J. A. and Pickett, John

2014. Achieving food security for one million Sub-Saharan African poor through push-pull innovation by 2020. Philosophical Transactions of the Royal Society B: Biological Sciences 369 (1639) , 20120284. 10.1098/rstb.2012.0284

Khan, Zeyaur R., Midega, Charles A. O., Pittchar, Jimmy O. and Pickett, John A.

2014. Push-Pull: A novel IPM strategy for the green revolution in Africa. Peshin R. and Pimentel D., eds. Integrated pest management, Springer, pp. 333-348. (10.1007/978-94-007-7802-3_13)

Khan, Zeyaur R., Midega, Charles A. O., Pittchar, Jimmy O. and Pickett, John A.

2014. Exploiting phytochemicals for developing sustainable crop protection strategies to withstand climate change: example from Africa. Singh, D., ed. Advances in Plant Biopesticides, New Delhi: Springer, pp. 35-46. (10.1007/978-81-322-2006-0_3)

Kiely, Christopher

, He, Qian

, Tiruvalam, Ramchandra, Dimitratos, Nikolaos

, Forde, Michael M., Sankar, Meenakshisundaram

2014. Assessing and controlling the size, morphology and composition of supported bimetallic catalyst nanoparticles. Microscopy and Microanalysis 20 (S3) , pp. 74-75. 10.1017/S1431927614002098

Kim, Beom-Ju, Sharma, Pankaj

, Han, Moon-Hee and Cho, Churl-Hee 2014. Structure direct agent-assisted hydrothermal synthesis and small gases adsorption behavior of pure RHO zeolite. Journal of Energy Engineering 23 (4) , pp. 141-149. 10.5855/ENERGY.2014.23.4.141

Kim, Min-Ji, Sharma, Pankaj

, Han, Moon-Hee and Cho, Churl-Hee 2014. Effect of seed coating layer on the microstructure of NaA zeolite separation layer grown on α-alumina support. Membrane Journal 24 (5) , pp. 375-385. 10.14579/MEMBRANE_JOURNAL.2014.24.5.375

Kondrat, Simon A., Miedziak, Peter John, Douthwaite, Mark, Brett, Gemma Louise, Davies, Thomas, Morgan, David John

, Knight, David William, Kiely, Christopher John

2014. Base-free oxidation of glycerol using titania-supported trimetallic Au-Pd-Pt nanoparticles. Chemsuschem 7 (5) , pp. 1326-1334. 10.1002/cssc.201300834

Kondrat, Simon A. and Taylor, Stuart H.

2014. Catalyst preparation using supercritical fluid precipitation. Apesteguía, Carlos, Blekkan, E. and Spivey, James, eds. Catalysis, Vol. 26. Cambridge: Royal Society of Chemistry, pp. 218-249.

Kovari, M., Harrington, C, Jenkins, I and Kiely, Christopher J.

2014. Converting energy from fusion into useful forms. Proceedings of the Institution of Mechanical Engineers, Part A: Journal of Power and Energy 228 (3) , pp. 234-240. 10.1177/0957650913514230

Langdon-Jones, Emily E., Symonds, Nadine O., Yates, Sara E., Hayes, Anthony J., Lloyd, David

, Williams, Rebecca

, Coles, Simon J., Horton, Peter N. and Pope, Simon J. A.

2014. Fluorescent rhenium-naphthalimide conjugates as cellular imaging agents. Inorganic Chemistry 53 (7) , pp. 3788-3797. 10.1021/ic500142z

Langdon-Jones, Emily E. and Pope, Simon J. A.

2014. The coordination chemistry of substituted anthraquinones: Developments and applications. Coordination Chemistry Reviews 269 , pp. 32-53. 10.1016/j.ccr.2014.02.003

Langdon-Jones, Emily Elizabeth and Pope, Simon J. A.

2014. Recent developments in gold(i) coordination chemistry: luminescence properties and bioimaging opportunities. Chemical Communications- Royal Society of Chemistry 50 , pp. 10343-10354. 10.1039/c4cc03259d

Lari, Giacomo 2014. Novel sol-immobilization catalysts for the hydrogenation of levulinic acid and spectroscopic valuation of metal nanoparticles accessibility using probe molecules. MPhil Thesis, Cardiff University.
Item availability restricted.

Lawrence, Andrew D., Taylor, Samantha L., Scott, Alan, Rowe, Michelle L., Johnson, Christopher M., Rigby, Stephen E. J., Geeves, Michael A., Pickersgill, Richard W., Howard, Mark J. and Warren, Martin J. 2014. FAD binding, cobinamide binding and active site communication in the corrin reductase (CobR). Bioscience Reports 34 (4) , e00120. 10.1042/BSR20140060

Lefler, Kelly M., Kim, Chul Hoon, Wu, Yi-Lin

and Wasielewski, Michael R. 2014. Self-assembly of supramolecular light-harvesting arrays from symmetric perylene-3,4-dicarboximide trefoils. Journal of Physical Chemistry Letters 5 (9) , pp. 1608-1615. 10.1021/jz500626g

Leoni, Stefano

, Boulfelfel, Salah Eddine, Baburin, Igor A. and Selli, Daniele 2014. The rules of metastability: detailed transformation mechanisms in chemical elements by means of molecular dynamics techniques. Springborg, Michael and Joswig, Jan-Ole, eds. Chemical Modelling : Volume 11, Vol. 11. Royal Society of Chemistry, p. 30.

Lewis, E. A., Slater, T. J. A.

, Prestat, E., Macedo, A., O'Brien, P., Camargo, P. H. C. and Haigh, S. J. 2014. Real-time imaging and elemental mapping of AgAu nanoparticle transformations. Nanoscale 6 (22) , 13598–13605. 10.1039/C4NR04837G

Lewis, Edward A., Haigh, Sarah J., Slater, Thomas J. A.

, He, Zheyang, Kulzick, Matthew A., Burke, M. Grace and Zaluzec, Nestor J. 2014. Real-time imaging and local elemental analysis of nanostructures in liquids. Chemical Communications 50 (70) , pp. 10019-10022. 10.1039/C4CC02743D

Li, Can, Domen, Kazunari and Hutchings, Graham John

2014. Editorial: Special issue on photocatalysis and photoelectrolysis. Journal of Catalysis 310 , p. 1. 10.1016/j.jcat.2013.12.005

Liaros, N, Marangoni, T, Cattaruzza, F, Bonifazi, Davide

and Couris, S 2014. Substitution, environment and excitation wavelength effects on the optical nonlinearities of novel cis and trans π-conjugated azobenzenes. Journal of Physical Chemistry B 118 (42) , pp. 24697-24704. 10.1021/jp508714b

Liu, Fang, Beames, Joseph M.

, Green, Amy M. and Lester, Marsha I. 2014. UV spectroscopic characterization of dimethyl- and ethyl-substituted carbonyl oxides. Journal of Physical Chemistry A 118 (12) , pp. 2298-2306. 10.1021/jp412726z

Liu, Fang, Beames, Joseph M.

and Lester, Marsha I. 2014. Direct production of OH radicals upon CH overtone activation of (CH3)2COO Criegee intermediates. Journal of Chemical Physics 141 (23) , 234312. 10.1063/1.4903961

Liu, Fang, Beames, Joseph M.

, Petit, Andrew S., McCoy, Anne B. and Lester, Marsha I. 2014. Infrared-driven unimolecular reaction of CH3CHOO Criegee intermediates to OH radical products. Science 345 (6204) , pp. 1596-1598. 10.1126/science.1257158

Liu, Xi, Conte, Marco, Weng, Weihao, He, Qian

, Jenkins, Robert, Watanabe, Masashi, Morgan, David John

, Knight, David William, Murphy, Damien Martin

, Whiston, Keith, Kiely, Christopher

2014. Molybdenum blue nano-rings: an effective catalyst for the partial oxidation of cyclohexane. Catalysis Science & Technology 5 , pp. 217-227. 10.1039/C4CY01213E

Llewellyn, Ben A., Slater, Anna G., Goretzki, Gudrun, Easun, Timothy

, Sun, Xue-Zhong, Davies, E. Stephen, Argent, Stephen P., Lewis, William, Beeby, Andrew, George, Michael W. and Champness, Neil R. 2014. Photophysics and electrochemistry of a platinum-acetylide disubstituted perylenediimide. Dalton Transactions 43 (1) , pp. 85-94. 10.1039/c3dt50874a

Logsdail, Andrew

, Scanlon, David O. and Catlow, Charles Richard

2014. Bulk ionization potentials and band alignments from three-dimensional periodic calculations as demonstrated on rocksalt oxides. Physical Review B: Condensed Matter and Materials Physics 90 (15) , 155106. 10.1103/PhysRevB.90.155106

Lopez, J. M., Arenal, R., Puertolas, B., Mayoral, A., Taylor, Stuart H.

, Solsona, B. and Garcia, T. 2014. Au deposited on CeO2 prepared by a nanocasting route: A high activity catalyst for CO oxidation. Journal of catalysis 317 , pp. 167-175. 10.1016/j.jcat.2014.06.021

Lord, Alex M., Maffeis, Thierry G., Allen, Martin W., Morgan, David John

, Jones, Daniel R., Evans, Jonathan E., Smith, Nathan A. and Wilks, Steve P. 2014. Surface state modulation through wet chemical treatment as a route to controlling the electrical properties of ZnO nanowire arrays investigated with XPS. Applied Surface Science 320 , pp. 664-669. 10.1016/j.apsusc.2014.09.078

Lord, Alex M., Ward, Michael B., Evans, Jonathan E., Davies, Philip R.

, Smith, Nathan A., Maffeis, Thierry G. and Wilks, Steve P. 2014. Enhanced long-path electrical conduction in ZnO nanowire array devices grown via defect-driven nucleation. Journal of Physical Chemistry C 118 (36) , pp. 21177-21184. 10.1021/jp505414u

Lu, Lu, Beames, Joseph

and Lester, Marsha I. 2014. Early time detection of OH radical products from energized Criegee intermediates CH2OO and CH3CHOO. Chemical Physics Letters 598 , pp. 23-27. 10.1016/j.cplett.2014.02.049

Luhavaya, Hanna, Williams, Simon R., Hong, Hui, Gonzaga De Oliveira, Luciana and Leadlay, Peter F. 2014. Site-specific modification of the anticancer and antituberculosis polyether salinomycin by biosynthetic engineering. ChemBioChem 15 (14) , pp. 2081-2085. 10.1002/cbic.201402300

Lui, Wen-T, Bien, Mauo-Ying, Chuang, Kai-Jen, Chang, Ta-Yuang, Jones, Timothy Peter

, Berube, Kelly Ann

, Lalev, Georgi, Dai-Hua, Tsai, Chuang, Hsiao-Chi and Chen, Tsun-Jen 2014. Physicochemical and biological characterisation of single-walled and double-walled carbon nanotubes in biological media. Journal of Hazardous Materials 280 , pp. 216-225. 10.1016/j.jhazmat.2014.07.069

Luk, Louis Y. P.

, Loveridge, E. Joel and Allemann, Rudolf K.

2014. Different dynamical effects in mesophilic and hyperthermophilic dihydrofolate reductases. Journal of the American Chemical Society 136 (19) , pp. 6862-6865. 10.1021/ja502673h

Luk, Louis Y. P.

, Ruiz-Pernia, J. Javier, Dawson, William M., Loveridge, E. Joel, Tuñón, Iñaki, Moliner, Vicent and Allemann, Rudolf K.

2014. Protein isotope effects in dihydrofolate reductase from Geobacillus stearothermophilus show entropic-enthalpic com-pensatory effects on the rate constant. Journal of the American Chemical Society 136 (49) , pp. 17317-17323. 10.1021/ja5102536

Madeira, Ana, De Almeida, Andreia

, de Graaf, Chris, Camps, Marta, Zorzano, Antonio, Moura, Teresa F., Casini, Angela

and Soveral, Graca 2014. A gold coordination compound as a chemical probe to unravel aquaporin-7 function. ChemBioChem 15 (10) , pp. 1487-1494. 10.1002/cbic.201402103

Madrid, Elena, Rong, Yuanyang, Carta, Mariolino, McKeown, Neil B., Malpass-Evans, Richard, Attard, Gary A., Clarke, Tomos J.

, Long, Yi-Tao and Marken, Frank 2014. Metastable ionic diodes derived from an amine-based polymer of intrinsic microporosity. Angewandte Chemie International Edition 53 (40) , pp. 10751-10754. 10.1002/anie.201405755

Maggini, L, Füstös, M-E, Chamberlain, T.W, Cebrián, C, Natali, M, Pietraszkiewicz, M, Pietraszkiewicz, O, Székely, E, Kamarás, K, De Cola, L, Khlobystov, A.N. and Bonifazi, Davide

2014. Fullerene-driven encapsulation of a luminescent Eu(III) complex in carbon nanotubes. Nanoscale 6 , pp. 2887-2894. 10.1039/C3NR05876J

Maggini, L., Ahrens-Jensen, J., Lo Re, G., Raquez, J. -M., Dubois, P and Bonifazi, Davide

2014. Phenanthroline-functionalized MWCNTs as versatile platform for lanthanides complexation. Carbon 70 , pp. 22-29. 10.1016/j.carbon.2013.12.040

Mai, Estevão F., Machado, Marta A., Davies, Thomas E., Lopez-Sanchez, Jose A. and Teixeira da Silva, Victor 2014. Molybdenum carbide nanoparticles within carbon nanotubes as superior catalysts for γ-valerolactone production via levulinic acid hydrogenation. Green Chemistry 16 (9) , pp. 4092-4097. 10.1039/C4GC00920G

Malpass-Evans, Richard 2014. Microporous polymers containing tertiary amine functionality for gas separation membrane fabrication. PhD Thesis, Cardiff University.

Item availability restricted.

Maqbool, Tahir, Nazeer, Areesha, Khan, Muhammad Naeem, Elliott, Mark Christopher

, Khan, Misbahul Ain, Ashraf, Muhammad, Nasrullah, Muhammad, Arshad, Shafia and Munawar, Munawar Ali 2014. Pyrazolopyridines II: synthesis and antibacterial screening of 6-aryl-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acids. Asian Journal of Chemistry 26 (10) , pp. 2870-2872. 10.14233/ajchem.2014.15918

Marega, R and Bonifazi, Davide

2014. Filling carbon nanotubes for nanobiotechnological applications. New Journal of Chemistry 38 (1) , pp. 22-27. 10.1039/c3nj01008b

Marie, Guillaume 2014. Exploration of new methods involved for the synthesis of PET tracers. PhD Thesis, Cardiff University.

Item availability restricted.

Marin, Raimon P., Kondrat, Simon A., Davies, Thomas, Morgan, David John

, Enache, Dan I., Combes, Gary B., Taylor, Stuart H.

2014. Novel cobalt zinc oxide Fischer-Tropsch catalysts synthesised using supercritical anti-solvent precipitation. Catalysis Science & Technology 4 (7) , pp. 1970-1978. 10.1039/c4cy00044g

Mayabadi, A.H., Waman, V.S., Kamble, M.M., Ghosh, S.S., Gabhale, B.B., Rondiya, S.R., Rokade, A.V., Khadtare, S.S., Sathe, V.G., Pathan, H.M., Gosavi, S.W. and Jadkar, S.R. 2014. Evolution of structural and optical properties of rutile TiO2 thin films synthesized at room temperature by chemical bath deposition method. Journal of Physics and Chemistry of Solids 75 (2) , pp. 182-187. 10.1016/j.jpcs.2013.09.008

Iqbal, Sarwat 2014. Process for producing a fructoside-containing product. WO 2014196861 A1 20141211. [Patent].

McVicker, Rebecca 2014. Selective low temperature oxidation of methane with hydrogen peroxide by quasi-heterogeneous catalysis. PhD Thesis, Cardiff University.

Item availability restricted.

Meenakshisundaram, Sankar

, Carter, Emma

, Knight, David W., Bethell, Donald and Hutchings, Graham J.

2014. The benzaldehyde oxidation paradox explained by the interception of peroxy radical by benzyl alcohol. Nature Communications 5 , .. 10.1038/ncomms4332

Melen, Rebecca L.

, Simmonds, Hayley R., Wadepohl, Hubert, Wood, Paul T., Gade, Lutz H. and Wright, Dominic S. 2014. Formation of an unusual bis(diguanidinate) ligand via nucleophilic attack of a guanidinate onto a carbodiimide. Australian Journal of Chemistry 67 (7) , pp. 1030-1036. 10.1071/CH14170

Meleshko, Glib, Kulhavy, Jiri, Paul, Alison

and Platts, James Alexis

2014. All-atom molecular dynamics simulation of HPMA polymers. RSC Advances 4 (14) , pp. 7003-7012. 10.1039/c3ra46386a

Metters, Owen J., Chapman, Andy M., Robertson, Alasdair P. M., Woodall, Christopher H., Gates, Paul J., Wass, Duncan F.

and Manners, Ian 2014. Generation of aminoborane monomers RR′N[double bond, length as m-dash]BH2 from amine–boronium cations [RR′NH–BH2L]+: metal catalyst-free formation of polyaminoboranes at ambient temperature. Chemical Communications 50 (81) , pp. 12146-12149. 10.1039/C4CC05145A

Miao, J, Richards, Nigel

and Ge, H 2014. Rhodium-catalyzed direct synthesis of unprotected NH-sulfoximines from sulfoxides. Chemical Communications- Royal Society of Chemistry 50 (68) , pp. 9687-9689. 10.1039/c4cc04349a

Midega, Charles A.O., Salifu, Daisy, Bruce, Toby J., Pittchar, Jimmy, Pickett, John A.

and Khan, Zeyaur R. 2014. Cumulative effects and economic benefits of intercropping maize with food legumes on Striga hermonthica infestation. Field Crops Research 155 , pp. 144-152. 10.1016/j.fcr.2013.09.012

Miedziak, Peter John, Alshammari, Hamed, Kondrat, Simon A., Clarke, Tomos J.

, Davies, Thomas, Morad, Moataz, Morgan, David John

, Knight, David William, Taylor, Stuart H.

2014. Base-free glucose oxidation using air with supported gold catalysts. Green Chemistry 16 (6) , pp. 3132-3141. 10.1039/c4gc00087k

Mizar, Pushpak, Burrelli, Alessandra, Gunther, Erika, Softje, Martin, Farooq, Umar and Wirth, Thomas

2014. Organocatalytic stereoselective iodoamination of alkenes. Chemistry - a European Journal 20 (41) , pp. 13113-13116. 10.1002/chem.201404762

Mizar, Pushpak, Laverny, Aragorn, El-Sherbini, Mohammad, Farid, Umar, Brown, Michael, Malmedy, Florence and Wirth, Thomas

2014. Enantioselective diamination with novel chiral hypervalent iodine catalysts. Chemistry - A European Journal 20 (32) , pp. 9910-9913. 10.1002/chem.201403891

Mizar, Pushpak and Wirth, Thomas

2014. Flexible stereoselektive Funktionalisierung von Ketonen durch Umpolung mit hypervalenten Iodreagentien. Angewandte Chemie 126 (23) , pp. 6103-6107. 10.1002/ange.201400405

Mizar, Pushpak and Wirth, Thomas

2014. Flexible stereoselective functionalizations of ketones through umpolung with hypervalent iodine reagents. Angewandte Chemie International Edition 53 (23) , pp. 5993-5997. 10.1002/anie.201400405

Mohamed, Shaaban K., Akkurt, Mehmet, Kariuki, Benson

, Ali, Ali M. and Albayati, Mustafa R. 2014. (2E)-2-(1,3-Benzothiazol-2-yl)-3-(dimethylamino)prop-2-enenitrile. Acta Crystallographica Section E - Structure Reports Online 70 (1) , o52-o53. 10.1107/S1600536813033266

Mohapatra, Debendra, Pradhan, Tapas

and Das, Pragna 2014. Total synthesis of the Z-isomers of the proposed and revised structures of aspergillide B via an iodocyclization and ring-closing metathesis strategy. Synthesis: Journal of Synthetic Organic Chemistry 46 (09) , pp. 1177-1184. 10.1055/s-0033-1340853

Moody, Suzy C. and Loveridge, Edric Joel 2014. CYP105-diverse structures, functions and roles in an intriguing family of enzymes in Streptomyces. Journal of Applied Microbiology 117 (6) , pp. 1549-1563. 10.1111/jam.12662

Morad, Moataz 2014. Development of new highly active nano gold catalysts for selective oxidation reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Morad, Moataz, Meenakshisundaram, Sankar

, Cao, Enhong, Nowicka, Ewa

, Davies, Thomas E., Miedziak, Peter J., Morgan, David J.

, Knight, David W., Bethell, Donald, Gavriilidis, Asterios and Hutchings, Graham J.

2014. Solvent-free aerobic oxidation of alcohols using supported gold palladium nanoalloys prepared by a modified impregnation method. Catalysis Science and Technology 4 (9) , pp. 3120-3128. 10.1039/c4cy00387j

Morley, N. A., Drew, A. J., Zhang, H., Scott, K., Hudziak, S. and Morgan, David John

2014. Study of the magnetic–Alq3 interface in organic spin-valves. Applied Surface Science 313 , pp. 850-857. 10.1016/j.apsusc.2014.06.088

Morrill, Louis C.

, Smith, Samuel M., Slawin, Alexandra M. Z. and Smith, Andrew D. 2014. Isothiourea-mediated asymmetric functionalization of 3-alkenoic acids. Journal of Organic Chemistry 79 (4) , pp. 1640-1655. 10.1021/jo402591v

Morrill, Louis

, Ledingham, Lyndsay A., Couturier, Jean-Philippe, Bickel, Jasmine, Harper, Andrew D., Fallan, Charlene and Smith, Andrew D. 2014. 2-Arylacetic anhydrides as ammonium enolate precursors. Organic & Biomolecular Chemistry 12 (4) , pp. 624-636. 10.1039/C3OB41869C

Morrill, Louis

and Smith, Andrew D. 2014. Organocatalytic Lewis base functionalisation of carboxylic acids, esters and anhydrides via C1-ammonium or azolium enolates. Chemical Society Reviews 43 (17) , pp. 6214-6226. 10.1039/C4CS00042K

Morrill, Louis

, Stark, Daniel G., Taylor, James E., Smith, Siobhan R., Squires, James A., D'Hollander, Agathe C. A., Simal, Carmen, Shapland, Peter, O'Riordan, Timothy J. C. and Smith, Andrew D. 2014. Organocatalytic Michael addition–lactonisation of carboxylic acids using α,β-unsaturated trichloromethyl ketones as α,β-unsaturated ester equivalents. Organic & Biomolecular Chemistry 12 (44) , pp. 9016-9027. 10.1039/C4OB01788A

Morton, Clare Ann 2014. Photocatalytic hydrogen production. MPhil Thesis, Cardiff University.
Item availability restricted.

Moxey, Graeme J., Ortu, Fabrizio, Sidley, Leon Goldney, Strandberg, Helen N., Blake, Alexander J., Lewis, William and Kays, Deborah L.

2014. Synthesis and characterisation of magnesium complexes containing sterically demanding N,N′-bis(aryl)amidinate ligands. Dalton Transactions 43 (12) , pp. 4838-4846. 10.1039/C3DT53234H

Mughal, Sabeeha 2014. Phthalocyanine-based molecules and polymers of intrinsic microporosity. PhD Thesis, Cardiff University.

Item availability restricted.

Muller, Simon T. R., Smith, Daniel

, Hellier, Paul and Wirth, Thomas

2014. Safe generation and direct use of diazoesters in flow chemistry. Synlett 25 (6) , pp. 871-875. 10.1055/s-0033-1340835

Mutyambai, Daniel M., Midega, Charles A.O., Bruce, Toby J.A., van den Berg, Johnnie, Pickett, John A.

and Khan, Zeyaur R. 2014. Behaviour and biology of Chilo partellus on maize landraces. Entomologia Experimentalis et Applicata 153 (2) , pp. 170-181. 10.1111/eea.12237

Neu, H., Quesne, Matthew, Yang, T., Prokop-Prigge, K. A., Lancaster, K. A., Donohoe, J., DeBeer, S., De visser, S. P. and Goldberg, D. P. 2014. Dramatic influence of an anionic donor on the oxygen-atom transfer reactivity of an MnV–oxo complex. Chemistry - a European Journal 20 (45) , pp. 14584-14588. 10.1002/chem.201404349

Neu, H., Yang, T., Baglia, R. A., Yosca, T. H., Green, M. T., Quesne, Matthew, De visser, S. P. and Goldberg, D. P. 2014. Oxygen-atom transfer reactivity of axially ligated Mn(V)−oxo complexes: Evidence for enhanced electrophilic and nucleophilic pathways. Journal of the American Chemical Society 136 (39) , pp. 13845-13852. 10.1021/ja507177h

Newby, James A., Blaylock, D. Wayne, Witt, Paul M., Pastre, Julio C., Zacharova, Marija K., Ley, Steven V. and Browne, Duncan L.

2014. Design and application of a low-temperature continuous flow chemistry platform. Organic Process Research and Development 18 (10) , pp. 1211-1220. 10.1021/op500213j

Newby, James A., Blaylock, D. Wayne, Witt, Paul M., Turner, Richard M., Heider, Patrick L., Harji, Bashir H., Browne, Duncan L.

and Ley, Steven V. 2014. Reconfiguration of a continuous flow platform for extended operation: application to a cryogenic fluorine-directedortho-lithiation reaction. Organic Process Research and Development 18 (10) , pp. 1221-1228. 10.1021/op500221s

Newby, James A., Huck, Lena, Blaylock, D. Wayne, Witt, Paul M., Ley, Steven V. and Browne, Duncan L.

2014. Investigation of a lithium-halogen exchange flow process for the preparation of boronates by using a cryo-flow reactor. Chemistry - a European Journal 20 (1) , pp. 263-271. 10.1002/chem.201303736

Notar Francesco, I., Giauffret, J., Fontaine-Vive, F., Edwards, Jennifer

, Kiely, Christopher John

and Antoniotti, S. 2014. Novel radical tandem 1,6-enynes thioacylation/cyclization: Au-Pd nanoparticles catalysis versus thermal activation as a function of the substrate specificity. Tetrahedron 70 (51) , pp. 9635-9643. 10.1016/j.tet.2014.10.077

Osatiashtiani, Amin

2014. Clean catalytic technologies for converting renewable feedstocks to chemicals and fuels. PhD Thesis, Cardiff University.
Item availability restricted.

Ousmane, M., Perrussel, G., Yan, Z., Clacens, J.-M., De Campo, F. and Pera-Titus, M. 2014. Highly selective direct amination of primary alcohols over a Pd/K-OMS-2 catalyst. Journal of Catalysis 309 , pp. 439-452. 10.1016/j.jcat.2013.10.003

Overgaard, Jacob, Walsh, James P. S., Hathwar, Venkatesha R., Jørgensen, Mads R. V., Hoffman, Christina, Platts, James Alexis

, Piltz, Ross and Winpenny, Richard E. P. 2014. Relationships between electron density and magnetic properties in water-bridged dimetal complexes. Inorganic Chemistry 53 (21) , pp. 11531-11539. 10.1021/ic501411w

Palacios, María A., Titos-Padilla, Silvia, Ruiz, José, Herrera, Juan Manuel, Pope, Simon J. A.

, Brechin, Euan K. and Colacio, Enrique 2014. Bifunctional ZnIILnIII dinuclear complexes combining field induced SMM behavior and luminescence: enhanced NIR lanthanide emission by 9-anthracene carboxylate bridging ligands. Inorganic Chemistry 53 (3) , pp. 1465-1474. 10.1021/ic402597s

Palmer, Benjamin A., Edwards-Gau, Gregory R., Kariuki, Benson M.

, Dolbnya, Igor P. and Collins, Stephen P. 2014. X-ray birefringence imaging. Science 344 (6187) , pp. 1013-1016. 10.1126/science.1253537

Parent, Loïc, Aparicio Sanchez, Pablo

, de Oliveira, Pedro, Teillout, Anne-Lucie, Poblet, Josep M., López, Xavier and Mbomekallé, Israël M. 2014. Effect of electron (de)localization and pairing in the electrochemistry of polyoxometalates: Study of Wells-Dawson molybdotungstophosphate derivatives. Inorganic Chemistry 53 (12) , pp. 5941-5949. 10.1021/ic500087t

Pasciak, M., Welberry, T.R., Heerdegen, A.P., Laguta, V., Ostapchuk, T., Leoni, Stefano

and Hlinka, J. 2014. Atomistic modeling of diffuse scattering in cubic PbZrO3. Phase Transitions 88 (3) , pp. 273-28. 10.1080/01411594.2014.981266

Paul, Alison

, Wilkes, A., Salama, I., Goodwin, N. and Hall, J. 2014. Laboratory evaluation of a novel anaesthesia delivery device [Abstract]. British Journal of Anaesthesia 112 (1) , 189P-190P. 10.1093/bja/aet373

Peneau, Virginie, Qian, Hao, Shaw, Greg, Kondrat, Simon A., Davies, Thomas e., Miedziak, Peter John, Forde, Michael, Dimitratos, Nikolaos

, Kiely, Christopher John

2014. Selective catalytic oxidation of toluene using supported Au-Pt and Pd-Pt nanoalloys [Abstract]. Abstracts of Papers of the American Chemical Society 248 , 1 p..

Peneau, Virginie 2014. Activation of hydrocarbons and their catalytic oxidation by heterogeneous catalysis. PhD Thesis, Cardiff University.

Item availability restricted.

Pera-Titus, M., Palomino, M., Valencia, S. and Rey, F. 2014. Thermodynamic analysis of framework deformation in Na,Cs-RHO zeolite upon CO2 adsorption. Physical Chemistry Chemical Physics 16 (44) , pp. 24391-24400. 10.1039/C4CP03409K

Pera-Titus, Marc 2014. Porous inorganic membranes for CO2 capture: present and prospects. Chemical Reviews 114 (2) , pp. 1413-1492. 10.1021/cr400237k

Pera-Titus, Marc 2014. Intrinsic flexibility of the zeolitic imidazolate framework ZIF-7 unveiled by CO2 adsorption and Hg intrusion. ChemPhysChem 15 (8) , pp. 1581-1586. 10.1002/cphc.201400084

Pera-Titus, Marc and Shi, Feng 2014. Catalytic amination of biomass-based alcohols. ChemSusChem 7 (3) , pp. 720-722. 10.1002/cssc.201301095

Pfützenreuter, Rebecca, Helmin, Marta, Palkovits, Stefan, Palkovits, Regina and Rose, Marcus 2014. Reaction network analysis and continuous production of isosorbide tert-butyl ethers. Catalysis Today 234 , pp. 113-118. 10.1016/j.cattod.2014.03.007

Pickett, J. A.

, Aradottir, G. I., Birkett, M. A., Bruce, T. J. A., Hooper, A. M., Midega, C. A. O., Jones, H. D., Matthes, M. C., Napier, J. A., Pittchar, J. O., Smart, L. E., Woodcock, C. M. and Khan, Z. R. 2014. Delivering sustainable crop protection systems via the seed: exploiting natural constitutive and inducible defence pathways. Philosophical Transactions B: Biological Sciences 369 (1639) , 20120281. 10.1098/rstb.2012.0281

Pickett, J. A.

, Aradottir, G. I., Birkett, M. A., Bruce, T. J. A., Hooper, A. M., Midega, C. A. O., Jones, H. D., Matthes, M. C., Napier, J. A., Pittchar, J. O., Smart, L. E., Woodcock, C. M. and Khan, Z. R. 2014. Delivering sustainable crop protection systems via the seed: exploiting natural constitutive and inducible defence pathways [Correction]. Philosophical Transactions B: Biological Sciences 369 (1642) , 20140053. 10.1098/rstb.2014.0053

Pickett, John A.

2014. Chemical ecology in the post genomics era. Journal of Chemical Ecology 40 (4) , p. 319. 10.1007/s10886-014-0418-0

Pickett, John A

, Woodcock, Christine M, Midega, Charles AO and Khan, Zeyaur R 2014. Push-pull farming systems. Current Opinion in Biotechnology 26 , pp. 125-132. 10.1016/j.copbio.2013.12.006

Pickett, John A.

, Barasa, Stephen and Birkett, Michael A. 2014. Vertebrate pheromones and other semiochemicals: the potential for accommodating complexity in signalling by volatile compounds for vertebrate management. Biochemical Society Transactions 42 (4) , pp. 846-850. 10.1042/BST20140134

Pinnell, Rebecca 2014. Cobalt oxide catalysts for the total oxidation of propane. PhD Thesis, Cardiff University.

Item availability restricted.

Poppy, G. M., Jepson, P. C., Pickett, J. A.

and Birkett, M. A. 2014. Achieving food and environmental security: new approaches to close the gap. Philosophical Transactions B: Biological Sciences 369 (1639) , 20120272. 10.1098/rstb.2012.0272

Quesne, Matthew, Latifi, R., Gonzalez, L. E., Kumar, D. and De visser, S. P. 2014. Quantum mechanics/molecular mechanics study on the oxygen binding and substrate hydroxylation step in AlkB repair enzymes. Chemistry - a European Journal 20 (2) , pp. 435-446. 10.1002/chem.201303282

Radadiya, Ashish

, Khedkar, Vijay, Bavishi, Abhay, Vala, Hardevsinh, Thakrar, Shailesh, Bhavsar, Dhairya, Shah, Anamik and Coutinho, Evans 2014. Synthesis and 3D-QSAR study of 1,4-dihydropyridine derivatives as MDR cancer reverters. European Journal of Medicinal Chemistry 74 , pp. 375-387. 10.1016/j.ejmech.2014.01.011

Ramdas, Ragini 2014. Targeting the complete range of soot components through the catalytic oxidation of diesel particulates. PhD Thesis, Cardiff University.

Item availability restricted.

Rana, Sujoy, Bag, Sukdev, Patra, Tuhin and Maiti, Debabrata 2014. Catalytic electrophilic halogenations and haloalkoxylations by non-heme iron halides. Advanced Synthesis and Catalysis 356 (11-12) , pp. 2453-2458. 10.1002/adsc.201400316

Rana, Sujoy, Modak, Atanu, Maity, Soham, Patra, Tuhin and Maiti, Debabrata 2014. Iron catalysis in synthetic chemistry. karlin, Kenneth D., ed. Progress in Inorganic Chemistry: Volume 59, Vol. 59. Progress in Inorganic Chemistry, pp. 1-188. (10.1002/9781118869994.ch01)

Reece, Christian, Willock, David James

and Trewin, Abbie 2014. Modelling analysis of the structure and porosity of covalent triazine-based frameworks. Physical Chemistry Chemical Physics 17 (2) , pp. 817-823. 10.1039/C4CP04046E

Regan, Edward M., Hallett, Andrew Jon, Wong, L.C. Caleb, Saeed, Ibrahim Q., Langdon-Jones, Emily E., Buurma, Niklaas Jan

and Estrela, Pedro 2014. A novel cobalt complex for enhancing amperometric and impedimetric DNA detection. Electrochimica Acta 128 , pp. 10-15. 10.1016/j.electacta.2013.10.028

Robertazzi, A., Platts, James Alexis

and Gamez, P. 2014. Anion⋅⋅⋅Si interactions in an inverse sandwich complex: a computational study. ChemPhysChem 15 (5) , pp. 912-917. 10.1002/cphc.201400018

Rong, Yuanyang, Malpass-Evans, Richard, Carta, Mariolino, McKeown, Neil B., Attard, Gary Anthony and Marken, Frank 2014. Intrinsically porous polymer protects catalytic gold particles for enzymeless glucose oxidation. Electroanalysis 26 (5) , pp. 904-909. 10.1002/elan.201400085

Rong, Yuanyang, Malpass-Evans, Richard, Carta, Mariolino, McKeown, Neil B., Attard, Gary Anthony and Marken, Frank 2014. High density heterogenisation of molecular electrocatalysts in a rigid intrinsically microporous polymer host. Electrochemistry Communications 46 , pp. 26-29. 10.1016/j.elecom.2014.06.005

Rubbiani, Riccardo, Salassa, Luca, De Almeida, Andreia

, Casini, Angela

and Ott, Ingo 2014. Cytotoxic gold(I) N-heterocyclic carbene complexes with phosphane ligands as potent enzyme inhibitors. ChemMedChem 9 (6) , pp. 1205-1210. 10.1002/cmdc.201400056

Ruiz, José, Lorusso, Giulia, Evangelisti, Marco, Brechin, Euan K., Pope, Simon J. A.

and Colacio, Enrique 2014. Closely-related ZnII2LnIII2 complexes (LnIII = Gd, Yb) with either magnetic refrigerant or luminescent single-molecule magnet properties. Inorganic Chemistry 53 (7) , pp. 3586-3594. 10.1021/ic403097s

Rutkowski, Piotr 2014. Acid-catalysed hydroaminations. PhD Thesis, Cardiff University.

Item availability restricted.

Ryabenkova, Yulia, Miedziak, Peter John, Knight, David William, Taylor, Stuart H.

2014. Heterogeneously catalyzed oxidation of butanediols in base free aqueous media. Tetrahedron 70 (36) , pp. 6055-6058. 10.1016/j.tet.2014.02.043

Sahu, S., Quesne, Matthew, Davies, C. G., Durr, M., Ivanovic-Burmazovic, I., Siegler, M. A., Jameson, G. N. L., De visser, S. P. and Goldberg, D. P. 2014. Direct observation of a nonheme iron(IV)–oxo complex that mediates aromatic C–F hydroxylation. Journal of the American Chemical Society 136 (39) , pp. 13542-13545. 10.1021/ja507346t

Samanta, Kousik, Beames, Joseph M.

, Lester, Marsha I. and Subotnik, Joseph E. 2014. Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O-O photodissociation channels. Journal of Chemical Physics 141 (13) , 134303. 10.1063/1.4894746

Sankaran, Mathan, Uvarani, Chokkalingam, Chandraprakash, Kumarasamy, Lekshmi, Swathi U., Suparna, Sengupta, Platts, James Alexis

and Mohan, Palathurai Subramaniam 2014. A regioselective multicomponent protocol for the synthesis of novel bioactive 4-hydroxyquinolin-2(1H)-one grafted monospiropyrrolidine and thiapyrrolizidine hybrids. Molecular Diversity 18 (2) , pp. 269-283. 10.1007/s11030-013-9498-y

Santonastaso, Marco 2014. Benzyl alcohol selective oxidation via in-situ generated oxidants. MPhil Thesis, Cardiff University.
Item availability restricted.

Santonastaso, Marco, Freakley, Simon J., Miedziak, Peter John, Brett, Gemma Louise, Edwards, Jennifer Kelly

2014. Oxidation of benzyl alcohol using in situ generated hydrogen peroxide. Organic Process Research and Development 18 (11) , pp. 1455-1460. 10.1021/op500195e

Santos Carballal, David

, Roldan, Alberto, Grau-Crespo, Ricardo and de Leeuw, Nora H.

2014. A DFT study of the structures, stabilities and redox behaviour of the major surfaces of magnetite Fe3O4. Physical Chemistry Chemical Physics 16 (39) , pp. 21082-21097. 10.1039/C4CP00529E

Sauer, Désirée C., Melen, Rebecca L.

, Kruck, Matthias and Gade, Lutz H. 2014. Chromophores, fluorophores and robust ancillary ligands for molecular catalysts: 1,3-Bis(2-pyridylimino)isoindolines. European Journal of Inorganic Chemistry (28) , 4715-N4725. 10.1002/ejic.201402595

Scanlon, David O, Buckeridge, John and Catlow, Charles

2014. Understanding doping anomalies in degenerate p-type semiconductor LaCuOSe. Journal of Materials Chemistry C 2 (17) , pp. 3429-3438. 10.1039/c4tc00096j

Schmidt, Andrea, Casini, Angela

and Kuehn, Fritz E. 2014. Self-assembled M2L4 coordination cages: synthesis and potential applications. Coordination Chemistry Reviews 275 , pp. 19-36. 10.1016/j.ccr.2014.03.037

Schoenherr, P., Prabhakaran, D., Jones, W., Dimitratos, Nikolaos

and Hesjedal, T. 2014. Comparison of Au and TiO2 based catalysts for the synthesis of chalcogenide nanowires. Applied Physics Letters 104 (25) , p. 253103. 10.1063/1.4885217

Schröder, Christian A., Saha, Sanjib, Huber, Klaus, Leoni, Stefano

and Wiebcke, Michael 2014. Metastable metal imidazolates: development of targeted syntheses by combining experimental and theoretical investigations of the formation mechanisms. Zeitschrift fur Kristallographie Crystalline Materials 229 (12) , pp. 807-822. 10.1515/zkri-2014-1788

Schweinefuß, Maria E., Baburin, Igor A., Schröder, Christian A., Näther, Christian, Leoni, Stefano

and Wiebcke, Michael 2014. Indium imidazolate frameworks with differently distorted ReO3-type structures: syntheses, structures, phase transitions, and crystallization studies. Crystal Growth and Design 14 (9) , pp. 4664-4673. 10.1021/cg5007499

Schweinefuß, Maria E., Springer, Sergej, Baburin, Igor A., Hikov, Todor, Huber, Klaus, Leoni, Stefano

and Wiebcke, Michael 2014. Zeolitic imidazolate framework-71 nanocrystals and a novel SOD-type polymorph: solution mediated phase transformations, phase selection via coordination modulation and a density functional theory derived energy landscape. Dalton Transactions 43 (9) , pp. 3528-3536. 10.1039/c3dt52992d

Senthil Kumar, Gopal, Satheeshkumar, Rajendran, Kaminsky, Werner, Platts, James Alexis

and Rajendra Prasad, Karnam Jayarampillai 2014. A facile regioselective 1,3-dipolar cycloaddition protocol for the synthesis of new class of quinolinyl dispiro heterocycles. Tetrahedron Letters 55 (40) , pp. 5475-5480. 10.1016/j.tetlet.2014.08.036

Serna, Ana, Galan-Cobo, Ana, Rodrigues, Claudia, Sanchez-Gomar, Ismael, Toledo-Aral, Juan Jose, Moura, Teresa F., Casini, Angela

, Soveral, Graca and Echevarria, Miriam 2014. Functional inhibition of aquaporin-3 with a gold-based compound induces blockage of cell proliferation. Journal of Cellular Physiology 229 (11) , pp. 1787-1801. 10.1002/jcp.24632

Serratice, M, Bertrand, B, Janssen, E.F.J., Hemelt, E, Zucca, A, Cocco, Fabio, Cinellu, M.A. and Casini, Angela

2014. Gold(i) compounds with lansoprazole-type ligands: Synthesis, characterization and anticancer properties in vitro. Medchemcomm 5 (9) , pp. 1418-1422. 10.1039/c4md00241e

Shang, Yuan 2014. Teabag technology in long chain alkane selective oxidation. PhD Thesis, Cardiff University.

Item availability restricted.

Sharma, Pankaj

, Han, Moon Hee and Cho, Churl Hee 2014. An emulsion-based droplet hydrothermal synthesis method for the production of uniform sized zeolite nanocrystals. Journal of Colloid and Interface Science 422 , pp. 45-53. 10.1016/j.jcis.2014.02.013

Sharma, Pankaj

, Yeo, Jeong-gu, Yu, Ji-haeng, Han, Moon Hee and Cho, Churl Hee 2014. Effect of ethanol as an additive on the morphology and crystallinity of LTA zeolite. Journal of the Taiwan Institute of Chemical Engineers 45 (2) , pp. 689-704. 10.1016/j.jtice.2013.06.024

Sharples, Katherine Mary 2014. Structural characterisation of Cu(II) complexes of biological relevance: an EPR and ENDOR investigation. PhD Thesis, Cardiff University.
Item availability restricted.

Siciliano, P., He, X.L., Woodcock, C., Pickett, John

, Field, L.M., Birkett, M.A., Kalinova, B., Gomulski, L.M., Scolari, F., Gasperi, G., Malacrida, A.R. and Zhou, J.J. 2014. Identification of pheromone components and their binding affinity to the odorant binding protein CcapOBP83a-2 of the Mediterranean fruit fly, Ceratitis capitata. Insect Biochemistry and Molecular Biology 48 , pp. 51-62. 10.1016/j.ibmb.2014.02.005

Singh, Fateh Veer and Wirth, Thomas

2014. Hypervalent iodine-catalyzed oxidative functionalizations including stereoselective reactions. Chemistry - An Asian Journal 9 (4) , pp. 950-971. 10.1002/asia.201301582

Singh, Fateh Veer and Wirth, Thomas

2014. 7.29 oxidative functionalization with hypervalent halides. Reference Module in Chemistry, Molecular Sciences and Chemical Engineering 7 , pp. 880-933. 10.1016/B978-0-08-097742-3.00735-7

Skupien, E, Berger, R.J., Santos, V.P., Gascon, J, Makkee, M, Kreutzer, M.T, Kooyman, P.J., Moulijn, Jacob and Kapteijn, F 2014. Inhibition of a gold-based catalyst in benzyl alcohol oxidation: understanding and remediation. Catalysts 4 (2) , pp. 89-115. 10.3390/catal4020089

Slater, T. J. A.

, Camargo, P. H. C., Burke, M. G., Zaluzec, N. J. and Haigh, S. J. 2014. Understanding the limitations of the Super-X energy dispersive x-ray spectrometer as a function of specimen tilt angle for tomographic data acquisition in the S/TEM. Journal of Physics: Conference Series 522 , 012025. 10.1088/1742-6596/522/1/012025

Slater, Thomas J. A.

, Macedo, Alexandra, Schroeder, Sven L. M., Burke, M. Grace, O'Brien, Paul, Camargo, Pedro H. C. and Haigh, Sarah J. 2014. Correlating catalytic activity of Ag-Au nanoparticles with 3D compositional variations. Nano Letters 14 (4) , pp. 1921-1926. 10.1021/nl4047448

Smith, Keith, Alotaibi, M. H and El-Hiti, G. A. 2014. Regioselective dinitration of simple aromatics over zeolite Hβ/nitric acid/acid anhydride systems. ARKIVOC 2014 (4) , pp. 107-123. 10.3998/ark.5550190.p008.527

Smith, Andrew D., Douglas, James, Morrill, Louis C.

and Richmond, Edward 2014. Lewis base catalyzed asymmetric formal [2+2] cycloadditions. Nishiwaki, Nagatoshi, ed. Methods and Applications of Cycloaddition Reactions in Organic Syntheses, Wiley, pp. 89-114. (10.1002/9781118778173.ch03)

Smith, Keith, Al-Zuhairi, Ali J., El-Hiti, Gamal A. and Alshammari, Mohammed B.

2014. Comparison of cyclic and polymeric disulfides as catalysts for the regioselective chlorination of phenols. Journal of Sulfur Chemistry 36 (1) , pp. 74-85. 10.1080/17415993.2014.965170

Sokol, A. A., Farrow, M. R., Buckeridge, Joanna, Logsdail, Andrew

, Catlow, Charles

, Scanlon, O. and Woodley, S. M. 2014. Double bubbles: a new structural motif for enhanced electron-hole separation in solids. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (39) , pp. 21098-21105. 10.1039/C4CP01900H

Song, Ju-Sub, Sharma, Pankaj

, Kim, Beom-Ju, Kim, Min-Zi, Han, Moon-Hee and Cho, Churl-Hee 2014. Adsorption of water vapor on zeolites of different framework types and alkali ions. Journal of Energy Engineering 23 (4) , pp. 160-168. 10.5855/ENERGY.2014.23.4.160

Spivey, James J. and Hutchings, Graham John

2014. Catalytic aromatization of methane. Chemical Society Reviews 43 (3) , pp. 792-803. 10.1039/C3CS60259A

Spreckelmeyer, Sarah, Orvig, Chris and Casini, Angela

2014. Cellular transport mechanisms of Cytotoxic metallodrugs: an overview beyond cisplatin. Molecules 19 (10) , pp. 15584-15610. 10.3390/molecules191015584

Su, R., Forde, M. M., He, Qian

, Shen, Y., Wang, X., Dimitratos, Nikolaos

, Kiely, Christopher

2014. Well-controlled metal co-catalysts synthesised by chemical vapour impregnation for photocatalytic hydrogen production and water purification. Dalton Transactions 43 (40) , pp. 14976-14982. 10.1039/c4dt01309c

Su, Ren, Kesavan, Lokesh, Jensen, Mads M., Tiruvalam, Ramchandra, He, Qian

, Dimitratos, Nikolaos

, Wendt, Stefan, Glasius, Marianne, Kiely, Christopher John

and Besenbacher, Flemming 2014. Selective photocatalytic oxidation of benzene for the synthesis of phenol using engineered Au-Pd alloy nanoparticles supported on titanium dioxide. Chemical Communications 50 (84) , pp. 12612-12614. 10.1039/C4CC04024D

Su, Ren, Tiruvalam, Ramchandra, Logsdail, Andrew J.

, He, Qian

, Downing, Christopher A., Jensen, Mikkel T., Dimitratos, Nikolaos

, Kesavan, Lokesh, Wells, Peter P., Bechstein, Ralf, Jensen, Henrik H., Wendt, Stefan, Catlow, C. Richard A.

, Kiely, Christopher J.

and Besenbacher, Flemming 2014. Designer titania-supported Au-Pd nanoparticles for efficient photocatalytic hydrogen production. ACS Nano 8 (4) , pp. 3490-3497. 10.1021/nn500963m

Sun, Songmei and Wang, Wenzhong 2014. Advanced chemical compositions and nanoarchitectures of bismuth based complex oxides for solar photocatalytic application. RSC Advances 4 (88) , 47136--47152. 10.1039/c4ra06419d

Sun, Songmei and Wang, Wenzhong 2014. ChemInform Abstract: Advanced Chemical Compositions and Nanoarchitectures of Bismuth Based Complex Oxides for Solar Photocatalytic Application. ChemInform 46 (2) , no--no. 10.1002/chin.201502222

Sun, Songmei, Wang, Wenzhong, Jiang, Dong, Zhang, Ling, Li, Xiaoman, Zheng, Yali and An, Qi 2014. Bi2WO6 quantum dot-intercalated ultrathin montmorillonite nanostructure and its enhanced photocatalytic performance. Nano Research 7 (10) , 1497--1506. 10.1007/s12274-014-0511-2

Sun, Songmei, Wang, Wenzhong, Jiang, Dong, Zhang, Ling and Zhou, Jing 2014. Infrared light induced photoelectrocatalytic application via graphene oxide coated thermoelectric device. Applied Catalysis B: Environmental 158-15 , 136--139. 10.1016/j.apcatb.2014.04.009

Sun, Yuanyuan, Wang, Wenzhong, Sun, Songmei and Zhang, Ling 2014. NaYF4:Er,Yb/Bi2MoO6 core/shell nanocomposite: A highly efficient visible-light-driven photocatalyst utilizing upconversion. Materials Research Bulletin 52 , 50--55. 10.1016/j.materresbull.2014.01.007

Tafreshi, Saeedeh S., Roldan Martinez, Alberto

2014. Density functional theory study of the adsorption of hydrazine on the perfect and defective Copper (100), (110), and (111) surfaces. Journal of Physical Chemistry C 118 (45) , pp. 26103-26114. 10.1021/jp5078664

Tafreshi, Saeedeh S., Roldan Martinez, Alberto

, Dzade, Nelson

2014. Adsorption of hydrazine on the perfect and defective copper (111) surface: A dispersion-corrected DFT study. Surface Science 622 , pp. 1-8. 10.1016/j.susc.2013.11.013

Taylor, Rupert G. D., Yeo, Benjamin Roy, Hallett, Andrew Jon, Kariuki, Benson

2014. An organometallic complex revealing an unexpected, reversible, temperature induced SC-SC transformation. Crystengcomm 16 (21) , pp. 4641-4652. 10.1039/c4ce00070f

Taylor, Rupert

, Carta, Mariolino, Bezzu, C. Grazia, Walker, Jonathan, Msayib, Kadhum J., Kariuki, Benson

and McKeown, Neil B. 2014. Triptycene-based organic molecules of intrinsic microporosity. Organic Letters 16 (7) , pp. 1848-1851. 10.1021/ol500591q

Terranova, U. and de Leeuw, Nora H.

2014. Aqueous Fe2S2 cluster: Structure, magnetic coupling, and hydration behaviour from Hubbard U density functional theory. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (26) , pp. 13426-13433. 10.1039/c4cp00984c

Thakrar, Shailesh, Bavishi, Abhay, Radadiya, Ashish

, Vala, Hardevsinh, Parekh, Shrey, Bhavsar, Dhairya, Chaniyara, Ravi and Shah, Anamik 2014. An efficient microwave-assisted synthesis and antimicrobial activity of novel 2-amino 3-cyano pyridine derivatives using two reusable solid acids as catalysts. Journal of Heterocyclic chemistry 51 (3) , pp. 555-561. 10.1002/jhet.1641

Thomas, Helen R., Marsden, Alexander J., Walker, Marc, Wilson, Neil R. and Rourke, Jonathan P.

2014. Sulfur-functionalized graphene oxide by epoxide ring-opening. Angewandte Chemie International Edition 53 (29) , pp. 7613-7618. 10.1002/anie.201404002

Thorp-Greenwood, Flora Lottie, Platts, James Alexis

and Coogan, Michael Peter 2014. Experimental and theoretical characterisation of phosphorescence from rhenium polypyridyl tricarbonyl complexes. Polyhedron 67 , pp. 505-512. 10.1016/j.poly.2013.09.033

Torrente-Murciano, Laura, He, Qian

, Kiely, Christopher John

and Chadwick, David 2014. Enhanced Au-Pd activity in the direct synthesis of hydrogen peroxide using nanostructured titanate nanotube supports. ChemCatChem 6 (9) , pp. 2531-2534. 10.1002/cctc.201402361

Tredwell, Matthew

, Preshlock, Sean M., Taylor, Nicholas J., Gruber, Stefan, Huiban, Mickael, Passchier, Jan, Mercier, Joel, Genicot, Christophe and Gouverneur, Veronique 2014. A general copper-mediated nucleophilic18F fluorination of arenes. Angewandte Chemie International Edition 53 (30) , pp. 7751-7755. 10.1002/anie.201404436

Ungerer, M. J.

, van der Westhuizen, D. J., Lachmann, G. and Krieg, H. M. 2014. Comparison of extractants for the separation of TaF5 and NbF5 in different acidic media. Hydrometallurgy 144-14 , pp. 195-206. 10.1016/j.hydromet.2014.02.015

Ungerer, Marietjie J.

, van der Westhuizen, Derik J., Krieg, Henning M. and van Sittert, Cornelia G.C.E. 2014. Molecular modelling of the hydrolysis of tantalum and niobium pentafluoride. Advanced Materials Research 1019 , pp. 406-411. 10.4028/www.scientific.net/AMR.1019.406

Van de Locht, Renee, Slater, Thomas J. A.

, Verch, Andreas, Young, Jeremy R., Haigh, Sarah J. and Kroger, Roland 2014. Ultrastructure and crystallography of nanoscale calcite building blocks in Rhabdosphaera clavigera coccolith spines. Crystal Growth and Design 14 (4) , pp. 1710-1718. 10.1021/cg4018486

van Emden, Helmut F., Dingley, Jane, Dewhirst, Sarah Y., Pickett, John A.

, Woodcock, Christine M. and Wadhams, Lester J. 2014. The effect of artificial diet on the production of alarm pheromone by Myzus persicae. Physiological Entomology 39 (4) , pp. 285-291. 10.1111/phen.12074

Vardakou, Maria, Salmon, Melissa, Faraldos, Juan A. and O'Maille, Paul E. 2014. Comparative analysis and validation of the malachite green assay for the high throughput biochemical characterization of terpene synthases. MethodsX 1 , pp. 187-196. 10.1016/j.mex.2014.08.007

Vile, James, Carta, Mariolino

, Bezzu, Caterina Grazia, Kariuki, Benson

and McKeown, Neil B. 2014. Centrotriindane- and triptindane-based polymers of intrinsic microporosity. Polymer 55 (1) , pp. 326-329. 10.1016/j.polymer.2013.07.035

Vonci, Michele, Akhlaghi-Bagherjeri, Fateme, Hall, Peter D., Gable, Robert W., Zavras, Athanasios, O'Hair, Richard A. J., Liu, Yuping, Zhang, Jie, Field, Matthew R., Taylor, Matthew B., Du Plessis, Johan, Bryant, Gary, Riley, Mark, Sorace, Lorenzo, Aparicio Sanchez, Pablo

, López, Xavier, Poblet, Josep M., Ritchie, Chris and Boskovic, Colette 2014. Modular molecules: site-selective metal substitution, photoreduction, and chirality in polyoxometalate hybrids. Chemistry - a European Journal 20 (43) , pp. 14102-14111. 10.1002/chem.201403222

Vuts, József, Furlan, Lorenzo, Csonka, Éva Bálintné, Woodcock, Christine M, Caulfield, John C, Mayon, Patrick, Pickett, John A

, Birkett, Michael A and Tóth, Miklós 2014. Development of a female attractant for the click beetle pest Agriotes brevis. Pest Management Science 70 (4) , pp. 610-614. 10.1002/ps.3589

Vuts, József, Imrei, Zoltán, Birkett, Michael A., Pickett, John A.

, Woodcock, Christine M. and Tóth, Miklós 2014. Semiochemistry of the Scarabaeoidea. Journal of Chemical Ecology 40 (2) , pp. 190-210. 10.1007/s10886-014-0377-5

Waman, V.S., Kamble, M.M., Ghosh, S.S., Mayabadi, A.H., Gabhale, B.B., Rondiya, S.R., Rokade, A.V., Khadtare, S.S., Sathe, V.G., Pathan, H.M., Gosavi, S.W. and Jadkar, S.R. 2014. Evolution of microstructure and opto-electrical properties in boron doped nc-Si:H films deposited by HW-CVD method. Journal of Alloys and Compounds 585 , pp. 523-528. 10.1016/j.jallcom.2013.09.172

Wang, Wenzhong, Xu, Jiehui, Zhang, Ling and Sun, Songmei 2014. Bi2WO6/PANI: An efficient visible-light-induced photocatalytic composite. Catalysis Today 224 , 147--153. 10.1016/j.cattod.2013.11.030

Wang, Yingyu 2014. The exploration of less expensive materials for the direct synthesis of hydrogen peroxide. PhD Thesis, Cardiff University.

Warren, Mark R., Easun, Timothy

, Brayshaw, Simon K., Deeth, Robert J., George, Michael W., Johnson, Andrew L., Schiffers, Stefanie, Teat, Simon J., Warren, Anna J., Warren, John E., Wilson, Chick C., Woodall, Christopher H. and Raithby, Paul R. 2014. Solid-state interconversions: Unique 100% reversible transformations between the ground and metastable states in single-crystals of a series of nickel( II) nitro complexes. Chemistry - A European Journal 20 (18) , pp. 5468-5477. 10.1002/chem.201302053

Watts, Kevin, Baker, Alastair Richard

and Wirth, Thomas

2014. Electrochemical synthesis in microreactors. Journal of Flow Chemistry 4 (1) , pp. 2-11. 10.1556/JFC-D-13-00030

Weng, W., Cordeiro, M. A. L., Stroppa, D. G., Kiely, Christopher J.

and Leite, E. R. 2014. Understanding the growth mechanism of CeO2 nanocrystals by comparison of experimental and simulated HAADF-STEM images. Microscopy and Microanalysis 20 (S3) , pp. 178-179. 10.1017/S143192761400261X

Wenzel, Margot, Bigaeva, Emilia, Richard, Philippe, Le Gendre, Pierre, Picquet, Michel, Casini, Angela

and Bodio, Ewen 2014. New heteronuclear gold(I)-platinum(II) complexes with cytotoxic properties: Are two metals better than one? Journal of Inorganic Biochemistry 141 , pp. 10-16. 10.1016/j.jinorgbio.2014.07.011

Whiting, Gareth T., Bartley, Jonathan Keith

, Dummer, Nicholas Frank

2014. Vanadium promoted molybdenum phosphate catalysts for the vapour phase partial oxidation of methanol to formaldehyde. Applied Catalysis A: General 485 , pp. 51-57. 10.1016/j.apcata.2014.07.029

Wickramatunga, Lenali Vinodangi 2014. Co-ordination & organometallic chemistry of facially capping tridentate triphosphorus macrocycles and the applications. PhD Thesis, Cardiff University.
Item availability restricted.

Willcox, Darren, Gondal, Humaira, Civit, Marc Garcia and Woodward, Simon 2014. Assessing the utility of HAlCl2 derived vinylalanes for Michael addition. Tetrahedron Letters 55 (10) , pp. 1720-1721. 10.1016/j.tetlet.2014.01.105

Willcox, Darren, Woodward, S. and Alexakis, A. 2014. Enantioselective 1,4-additions of ClMeAl(CH?CHR) (R = alkyl, alkenyl, Ph) to cyclohexenones. Chemical Communications 50 (14) , pp. 1655-1657. 10.1039/c3cc48191c

Williams, Philip Andrew 2014. In-Situ studies of crystallization processes and other aspects of polymorphism. PhD Thesis, Cardiff University.
Item availability restricted.

Wolf, Patrick, Hammond, Ceri

, Conrad, Sabrina and Hermans, Ive 2014. Post-synthetic preparation of Sn-, Ti- and Zr-beta: a facile route to water tolerant, highly active Lewis acidic zeolites. Dalton Transactions 43 (11) , pp. 4514-4519. 10.1039/c3dt52972j

Wood, Andrew Craig 2014. Synthesis of FMN analogues as probes for the photocycle of Avena sativa. PhD Thesis, Cardiff University.
Item availability restricted.

Woodall, Christopher H., Fuertes, Sara, Beavers, Christine M., Hatcher, Lauren E.

, Parlett, Andrew, Shepherd, Helena J., Christensen, Jeppe, Teat, Simon J., Intissar, Mourad, Rodrigue-Witchel, Alexandre, Suffren, Yan, Reber, Christian, Hendon, Christopher H., Tiana, Davide, Walsh, Aron and Raithby, Paul R. 2014. Tunable trimers: using temperature and pressure to control luminescent emission in gold(I) pyrazolate-based trimers. Chemistry - A European Journal 20 (51) , pp. 16933-16942. 10.1002/chem.201404058

Woodley, Scott M. and Catlow, Charles

2014. High performance computing in the chemistry of materials. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (39) , 21001. 10.1039/C4CP90126F

Wu, Lai-Chin, Jones, Cameron, Stasch, Andreas, Platts, James Alexis

and Overgaard, Jacob 2014. Non-nuclear attractor in a molecular compound under external pressure. European Journal of Inorganic Chemistry 2014 (32) , pp. 5536-5540. 10.1002/ejic.201402606

Xia, Fengjie, Pan, Mu, Mu, Shichun, Malpass-Evans, Richard, Carta, Mariolino

, McKeown, Neil B., Attard, Gary Anthony, Brew, Ashley, Morgan, David John

and Marken, Frank 2014. Polymers of intrinsic microporosity in electrocatalysis: Novel pore rigidity effects and lamella palladium growth. Electrochimica Acta 128 , pp. 3-9. 10.1016/j.electacta.2013.08.169

Xiao, Bo, Easun, Timothy

, Dhakshinamoorthy, Amarajothi, Cebula, Izabela, Beton, Peter H., Titman, Jeremy J., Garcia, Hermenegildo, Thomas, K. Mark and Schroeder, Martin 2014. Porous macromolecular dihydropyridyl frameworks exhibiting catalytic and halochromic activity. Journal of Materials Chemistry A 2 (46) , pp. 19889-19896. 10.1039/c4ta02521k

Yan, Yuncheng 2014. Exploring and analysing the structural diversity of organic co-crystals. PhD Thesis, Cardiff University.
Item availability restricted.

Yeo, Benjamin Roy 2014. Alkanes, alkenes and aromatics: the oxidative dehydrogenation of n-octane using iron molybdate catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Yevglevskis, Maksims, Bowskill, Catherine R., Chan, Chloe C. Y., Heng, Justin H.-J., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2014. A study on the chiral inversion of mandelic acid in humans. Organic and Biomolecular Chemistry 12 (34) 10.1039/C3OB42515K

Yevglevskis, Maksims, Lee, Guat L., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2014. The perils of rational design – unexpected irreversible elimination of fluoride from 3-fluoro-2-methylacyl-CoA esters catalysed by α-methylacyl-CoA racemase (AMACR; P504S). Chemical Communications 50 (91) , pp. 14164-14166. 10.1039/C4CC06127F

Yıldırım, Muhammet, Çelikel, Derya, Dürüst, Yaşar, Knight, David William and Kariuki, Benson

2014. A rapid and efficient protocol for the synthesis of novel nitrothiazolo[3,2-c]pyrimidines via microwave-mediated Mannich cyclisation. Tetrahedron 70 (12) , pp. 2122-2128. 10.1016/j.tet.2014.02.003

Yıldırım, Muhammet, Çelikel, Derya, Evis, Naciye, Knight, David William and Kariuki, Benson

2014. Base-promoted new C--C bond formation: an expedient route for the preparation of thiazolo- and imidazolo-pyridinones via Michael addition. Tetrahedron 70 (35) , pp. 5674-5681. 10.1016/j.tet.2014.06.070

Yoosuf Aly, Fathima 2014. Chemoenzymatic approaches to monoterpenoids. PhD Thesis, Cardiff University.
Item availability restricted.

Yousuf, Muhammad, Ahmed, Nisar

, Shirinfar, Bahareh, Miriyala, Vijay Madhav, Youn, Il Seung and Kim, Kwang S. 2014. Precise tuning of cationic cyclophanes toward highly selective fluorogenic recognition of specific biophosphate anions. Organic Letters 16 (8) , pp. 2150-2153. 10.1021/ol500613y

Zeinalipour-Yazdi, Constantinos, Willock, David James

, Machado, Andreia, Wilson, Karen and Lee, Adam Fraser 2014. Impact of co-adsorbed oxygen on crotonaldehyde adsorption over gold nanoclusters: a computational study. Physical Chemistry Chemical Physics 16 (23) , pp. 11202-11210. 10.1039/c3cp53691b

Zhang, J, Marega, R, Chen, L-J, Wu, N-W, Xu, X-D, Muddiman, D.C., Bonifazi, Davide

and Yang, H-B 2014. Hierarchical self-assembly of supramolecular hydrophobic metallacycles into the ordered nanostructures. Chemistry - An Asian Journal 9 (10) , pp. 2928-2936. 10.1002/asia.201402410

Zhang, Ling, Wang, Wenzhong, Jiang, Dong, Gao, Erping and Sun, Songmei 2014. Photoreduction of CO2 on BiOCl nanoplates with the assistance of photoinduced oxygen vacancies. Nano Research 8 (3) , 821--831. 10.1007/s12274-014-0564-2

Zhang, Ling, Wang, Wenzhong and Sun, Songmei 2014. Photocatalytic oxidation of ammonia by Bi2WO6 nanoplates using fluorescent light. Chinese Science Bulletin 59 (18) , 2181--2185. 10.1007/s11434-014-0242-5

Zhang, Ling, Wang, Wenzhong, Sun, Songmei, Sun, Yuanyuan, Gao, Erping and Zhang, Zhijie 2014. Elimination of BPA endocrine disruptor by magnetic BiOBr@SiO2@Fe3O4 photocatalyst. Applied Catalysis B: Environmental 148-14 , 164--169. 10.1016/j.apcatb.2013.10.053

Zhang, Weimin, Ning, Fuqiang, Váradi, Linda, Hibbs, David E., Platts, James Alexis

, Nyerges, Miklós, Anderson, Rosaleen J. and Groundwater, Paul W. 2014. An investigation of the scope of the 1,7-electrocyclization of α,β:γ,δ-conjugated azomethine ylides. Tetrahedron 70 (22) , pp. 3621-3629. 10.1016/j.tet.2014.03.078

Zhang, Youjun, Sun, Yufeng, Yu, Hao, Zhou, Jing-Jiang, Pickett, John

and Wu, Kongming 2014. Plant volatile analogues strengthen attractiveness to insect. PLoS ONE 9 (6) , e99142. 10.1371/journal.pone.0099142

Zheng, Guangchao, Kaefer, Katharina, Mourdikoudis, Stefanos, Polavarapu, Lakshminarayana, Vaz, Belén, Cartmell, Samantha, Bouleghlimat, Azzedine, Buurma, Niklaas Jan

, Yate, Luis, de Lera, Ángel R., Liz-Marzán, Luis M., Pastoriza-Santos, Isabel and Pérez-Juste, Jorge 2014. Palladium nanoparticle-loaded cellulose paper: a highly efficient, robust, and recyclable self-assembled composite catalytic system. The Journal of Physical Chemistry Letters 6 (2) , pp. 230-238. 10.1021/jz5024948

Zhou, Wen-Juan, Fang, Lin, Fan, Zhaoyu, Albela, Belén, Bonneviot, Laurent, De Campo, Floryan, Pera-Titus, Marc and Clacens, Jean-Marc 2014. Tunable catalysts for solvent-free biphasic systems: pickering interfacial catalysts over amphiphilic silica nanoparticles. Journal of the American Chemical Society 136 (13) , pp. 4869-4872. 10.1021/ja501019n

Zhou, Wen-Juan, Wischert, Raphael, Xue, Kai, Zheng, Yu-Ting, Albela, Belén, Bonneviot, Laurent, Clacens, Jean-Marc, De Campo, Floryan, Pera-Titus, Marc and Wu, Peng 2014. Highly selective liquid-phase oxidation of cyclohexane to KA oil over Ti-MWW catalyst: evidence of formation of oxyl radicals. ACS Catalysis 4 (1) , pp. 53-62. 10.1021/cs400757j

Zhu, Jing, Li, Mengxi, Zhang, Haifei, Ning, Yanying and Jin, Junsu 2014. Determination and calculation for solubility of m-nitroaniline and its mixture in supercritical carbon dioxide. Chemical Engineering Research and Design 92 (12) , pp. 2806-2813. 10.1016/j.cherd.2014.04.019

Zucca, Antonio, Maidich, Luca, Canu, Laura, Petretto, Giacomo L., Stoccoro, Sergio, Cinellu, Maria Agostina, Clarkson, Guy J. and Rourke, Jonathan P.

2014. Rollover‐assisted C(sp2)-C(sp3) bond formation. Chemistry - A European Journal 20 (18) , pp. 5501-5510. 10.1002/chem.201304257

2013

Ab Rahim, Mohd Hasbi, Forde, Michael M., Jenkins, Robert Leyshon, Hammond, Ceri

, He, Qian

, Dimitratos, Nikolaos

, Lopez Sanchez, Jose Antonio, Carley, Albert Frederick, Taylor, Stuart H.

, Kiely, Christopher John

2013. Oxidation of methane to methanol with hydrogen peroxide using supported gold-palladium alloy nanoparticles. Angewandte Chemie - International Edition 52 (4) , pp. 1280-1284. 10.1002/anie.201207717

Ab Rahim, Mohd Hasbi, Forde, Michael M., Hammond, Ceri

, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Carley, Albert Frederick, Taylor, Stuart H.

2013. Systematic study of the oxidation of methane using supported gold palladium nanoparticles under mild aqueous conditions. Topics in Catalysis 56 (18-20) , pp. 1843-1857. 10.1007/s11244-013-0121-3

Abbott, Lauren J., McDermott, Amanda G., Del Regno, Annalaura, Taylor, Rupert G. D., Bezzu, Caterina Grazia, Msayib, Kadhum, McKeown, Neil B., Siperstein, Flor R., Runt, James and Colina, Coray M. 2013. Characterizing the structure of organic molecules of intrinsic microporosity by molecular simulations and X-ray scattering. Journal of Physical Chemistry B 117 (1) , pp. 355-364. 10.1021/jp308798u

Acerbi, N., Edman Tsang, S. C., Jones, G., Golunski, Stanislaw E.

and Collier, P. 2013. Rationalization of interactions in precious metal/ceria catalysts using the d-band center model. Angewandte Chemie - International Edition 52 (30) , pp. 7737-7741. 10.1002/anie.201300130

Adams, Sarah Elizabeth 2013. The synthesis and evaluation of novel calpain-I inhibitors. PhD Thesis, Cardiff University.
Item availability restricted.

Ahmed, Mujib, Attard, Gary Anthony, Wright, Edward and Sharman, Jonathan 2013. Methanol and formic acid electrooxidation on nafion modified Pd/Pt{111}: The role of anion specific adsorption in electrocatalytic activity. Catalysis Today 202 , pp. 128-134. 10.1016/j.cattod.2012.05.014

Ahmed, Nisar

, Shirinfar, Bahareh, Youn, Il Seung, Yousuf, Muhammad and Kim, Kwang S. 2013. Selective detection of guanosine-5?-triphosphate and iodide by fluorescent benzimidazolium-based cyclophanes. Organic & Biomolecular Chemistry 11 (37) , pp. 6407-6413. 10.1039/c3ob41470a

Al-Lami, Naeemah 2013. Synthesis of nitrogen-containing bicyclic sesquiterpenes as potential transition state inhibitors of aristolochene synthase. PhD Thesis, Cardiff University.
Item availability restricted.

Al-Najjar, Nada A., Al-Sudani, Abdul-Razak, Shanshal, Muthana A., Mousa, Falih H. and Kariuki, Benson

2013. cis-Dichloridotetrakis(dimethyl sulfoxide-[kappa]O)chromium(III) chloride dimethyl sulfoxide monosolvate. Acta Crystallographica Section E - Structure Reports Online 69 (7) , m395. 10.1107/S160053681301622X

Almalioti, Foteini, MacDougall, James, Hughes, Stephen, Hasson, Mohammed

, Jenkins, Robert, Ward, Benjamin David

, Tizzard, Graham J., Coles, Simon J., Williams, David Wynne

, Bamford, Sarah, Fallis, Ian Andrew

and Dervisi, Athanasia

2013. Convenient syntheses of cyanuric chloride-derived NHC ligands, their Ag(i) and Au(i) complexes and antimicrobial activity. Dalton Transactions 42 (34) , pp. 12370-12380. 10.1039/c3dt51400e

Alshammari, Hamed M. 2013. Oxidation catalysis using supported gold nanocrystals. PhD Thesis, Cardiff University.
Item availability restricted.

Alshammari, Hamed M., Miedziak, Peter John, Knight, David William, Willock, David James

, Carley, Albert Frederick, Davies, Philip Rosser

2013. The effect of ring size on the selective oxidation of cycloalkenes using supported metal catalysts. Catalysis Science & Technology 3 (6) , pp. 1531-1539. 10.1039/c3cy20864h

Alshammari, Hamed, Miedziak, Peter, Morgan, David John

, Knight, David William and Hutchings, Graham John

2013. Control of the selectivity in multi-functional group molecules using supported gold–palladium nanoparticles. Green Chemistry 15 (5) , pp. 1244-1254. 10.1039/c3gc36828a

Alshehri, Abdulmohsen

2013. Methanol oxidation on transition elements oxides. PhD Thesis, Cardiff University.
Item availability restricted.

Alsolami, B. H., Berger, R. J., Makkee, M. and Moulijn, Jacob 2013. Catalyst performance testing in multiphase systems: implications of using small catalyst particles in hydrodesulfurization. Industrial & Engineering Chemistry Research 52 (26) , pp. 9069-9085. 10.1021/ie4010749

Altass, Hatem 2013. HCl nanoscience at copper and copper/gold alloy surfaces. PhD Thesis, Cardiff University.
Item availability restricted.

Altass, Hatem, Carley, Albert Frederick, Davies, Philip Rosser

and Davies, Robert J. 2013. Enhancing surface reactivity with a noble metal. Chemical Communications 49 (74) , pp. 8223-8225. 10.1039/c3cc43567a

Ambreen, Nida, Kumar, Ravi and Wirth, Thomas

2013. Hypervalent iodine/TEMPO-mediated oxidation in flow systems: a fast and efficient protocol for alcohol oxidation. Beilstein Journal of Organic Chemistry 9 , pp. 1437-1442. 10.3762/bjoc.9.162

Andrews, Philip, Latham, Christopher M., Magre, Marc, Willcox, Darren and Woodward, Simon 2013. ZrCl2(η-C5Me5)2-AlHCl2·(THF)2: efficient hydroalumination of terminal alkynes and cross-coupling of the derived alanes. Chemical Communications 49 (15) , pp. 1488-1490. 10.1039/c2cc37537k

Aparicio Sanchez, Pablo

, Poblet, Josep M. and López, Xavier 2013. Tungsten Redox Waves in [XMW11O40]n– (X = P, Si, Al and M = W, Mo, V, Nb, Ti) Keggin Compounds – Effect of Localised/Delocalised Charges. European Journal of Inorganic Chemistry 2013 (10-11) , pp. 1910-1916. 10.1002/ejic.201201384

Armstrong, Robert 2013. Partial oxidative upgrading of ethane with Fe- and Cu-ZSM-5 catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Attard, Gary Anthony, Bennett, J. A., Mikheenko, I., Jenkins, Peter, Guan, Shaoliang, Macaskie, L. E., Wood, J. and Wain, A. J. 2013. Semi-hydrogenation of alkynes at single crystal, nanoparticle and biogenic nanoparticle surfaces: the role of defects in Lindlar-type catalysts and the origin of their selectivity. Faraday Discussions 2013 (162) , pp. 57-75. 10.1039/c3fd00007a

Attard, Gary Anthony, Ye, Jin-Yu, Jenkins, Peter, Vidal-Iglesias, Francisco J., Herrero, Enrique and Sun, Shi-Gang 2013. Citrate adsorption on Pt{hkl} electrodes and its role in the formation of shaped Pt nanoparticles. Journal of Electroanalytical Chemistry 688 , pp. 249-256. 10.1016/j.jelechem.2012.08.040

Avanti, Christina, Hinrichs, Wouter L. J., Casini, Angela

, Eissens, Anko C., Van Dam, Annie, Kedrov, Alexej, Driessen, Arnold J. M., Frijlink, Henderik W. and Permentier, Hjalmar P. 2013. The formation of oxytocin dimers is suppressed by the zinc-aspartate-oxytocin complex. Journal of Pharmaceutical Sciences 102 (6) , pp. 1734-1741. 10.1002/jps.23546

Babikova, Zdenka, Johnson, David, Bruce, Toby, Pickett, John

and Gilbert, Lucy 2013. How rapid is aphid-induced signal transfer between plants via common mycelial networks? Communicative and Integrative Biology 6 (6) , e25904. 10.4161/cib.25904

Bahruji, Hasliza, Bowker, Michael

, Brookes, Catherine, Davies, Philip Rosser

and Wawata, Ibrahim 2013. The adsorption and reaction of alcohols on TiO2 and Pd/TiO2 catalysts. Applied Catalysis A: General 454 , pp. 66-73. 10.1016/j.apcata.2013.01.005

Baker, Alastair Richard

, Graz, Michael, Saunders, Robert, Evans, Gareth J. S., Kaul, Sandra and Wirth, Thomas

2013. Flow synthesis of symmetrical di- and trisulfides using phase-transfer catalysis. Journal of Flow Chemistry 3 (4) , pp. 118-121. 10.1556/JFC-D-13-00013

Baldoni, Matteo, Craco, Luis, Seifert, Gotthard and Leoni, Stefano

2013. A two-electron mechanism of lithium insertion into layered α-MoO3: a DFT and DFT+U study. Journal of Materials Chemistry A 1 (5) , pp. 1778-1784. 10.1039/c2ta00839d

Bamroongwongdee, Chanut, Bowker, Michael

, Davies, Robert J. and Edwards, Dyfan 2013. Fabrication of complex model oxide catalysts: Mo oxide supported on Fe3O4(111). Faraday Discussions 162 , pp. 201-212. 10.1039/c2fd20134h

Banci, Gabriele 2013. New methods for rapid h/d exchange and related processing using microwave irradiation. PhD Thesis, Cardiff University.
Item availability restricted.

Beames, Joseph

, Liu, Fang, Lu, Lu and Lester, Marsha I. 2013. UV spectroscopic characterization of an alkyl substituted Criegee intermediate CH3CHOO. Journal of Chemical Physics 138 (24) , 244307. 10.1063/1.4810865

Bedford, R. B., Carter, Emma

, Cogswell, P. M., Gower, N. J., Haddow, M. F., Harvey, J. N., Murphy, Damien Martin

, Neeve, E. C. and Nunn, J. 2013. Simplifying iron-phosphine catalysts for cross-coupling reactions. Angewandte Chemie - International Edition 52 (4) , pp. 1285-1288. 10.1002/anie.201207868

Behera, Gobinda C., Parida, Kulamani, Dummer, Nicholas

, Whiting, Gareth, Sahu, Nruparaj, Carley, Albert Frederick, Conte, Marco, Hutchings, Graham John

2013. Tungstate promoted vanadium phosphate catalysts for the gas phase oxidation of methanol to formaldehyde. Catalysis Science & Technology 3 (6) , pp. 1558-64. 10.1039/c3cy20801j

Behiry, Enas Mamdouh 2013. Dihydrofolate reductase and the physical basis of enzyme catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Bemmer, Victoria 2013. The properties of electrical steels and their coatings. PhD Thesis, Cardiff University.
Item availability restricted.

Bennett, Stacey Danielle 2013. Novel Group 3/Lanthanide complexes and their application to intramolecular hydroamination and ring-opening polymerisation. PhD Thesis, Cardiff University.
Item availability restricted.

Bennett, Stacey Danielle, Pope, Simon J. A.

and Ward, Benjamin David

2013. Near-IR luminescent neodymium complexes: spectroscopic probes for hydroamination catalysis. Chemical Communications 49 (54) , pp. 6072-6074. 10.1039/c3cc42923g

Berezin, Andrey A., Constantinides, Christos P., Mirallai, Styliana I., Manoli, Maria, Cao, Levy L., Rawson, Jeremy M. and Koutentis, Panayiotis A. 2013. Synthesis and properties of imidazolo-fused benzotriazinyl radicals. Organic and Biomolecular Chemistry 11 (39) , pp. 6780-6864. 10.1039/c3ob41169a

Bezzu, Caterina Grazia, Kariuki, Benson

, Helliwell, Madeleine, Tuna, Floriana, Warren, John E., Allan, David R. and McKeown, Neil B. 2013. In-situ coordination chemistry within cobalt-containing phthalocyanine nanoporous crystals. CrystEngComm 15 (8) , pp. 1545-1550. 10.1039/c2ce26463c

Bhardwaj, Deepesh, Sharma, Pankaj

and Khare, Purnima S 2013. Synthesis of whorl shaped zinc oxide nanostructure crystals by simple wet synthesis route. Materials Letters 111 , pp. 134-136. 10.1016/j.matlet.2013.08.090

Bhardwaj, Deepesh, Sharma, Pankaj

, Sharma, Monika and Tomar, Radha 2013. Surfactant modified tectosilicates and phyllosilicates for 2,4-D removal and slow release formulation. RSC Advances 4 (9) , pp. 4504-4514. 10.1039/C3RA44121K

Bouleghlimat, Azzedine 2013. Palladium complexes, nanoparticles and their use in coupling reactions of arylboronic acids in aqueous media. PhD Thesis, Cardiff University.
Item availability restricted.

Bouleghlimat, Emir, Davies, Philip Rosser

, Davies, Robert J., Howarth, Rebecca, Kulhavy, Jiri and Morgan, David John

2013. The effect of acid treatment on the surface chemistry and topography of graphite. Carbon 361 , pp. 124-133. 10.1016/j.carbon.2013.04.076

Bowker, Michael

, Crouch, Jonathan James, Carley, Albert Frederick, Davies, Philip Rosser

, Lalev, Georgi, Dimov, Stefan Simeonov and Pham, Duc Truong 2013. Encapsulation of Au nanoparticles on a silicon wafer during thermal oxidation. Journal of Physical Chemistry C 117 (41) , pp. 21577-21582. 10.1021/jp4074043

Brett, Gemma Louise, Miedziak, Peter John, He, Qian

, Knight, David William, Edwards, Jennifer Kelly

, Kiely, Christopher J. and Hutchings, Graham John

2013. Gold-nanoparticle-based catalysts for the oxidative esterification of 1,4-butanediol into dimethyl succinate. Chemsuschem 6 (10) , pp. 1952-1958. 10.1002/cssc.201300420

Brown, Michael, Farid, Umar and Wirth, Thomas

2013. Hypervalent iodine reagents as powerful electrophiles. Synlett 24 (4) , pp. 424-431. 10.1055/s-0032-1318103

Budroni, Gerolamo, Kondrat, Simon A., Taylor, Stuart H.

, Carley, Albert Frederick, Williams, Peter B. and Hutchings, Graham John

2013. Selective deposition of palladium onto supported nickel - bimetallic catalysts for the hydrogenation of crotonaldehyde. Catalysis Science & Technology 3 (10) , pp. 2746-2754. 10.1039/c3cy00449j

Cantos, Paula M., Pope, Simon J. A.

and Cahill, Christopher L. 2013. An exploration of homo- and heterometallic UO22+ hybrid materials containing chelidamic acid: synthesis, structure, and luminescence studies. CrystEngComm 15 (44) , pp. 9039-9051. 10.1039/c3ce41655k

Cao, Enhong, Meenakshisundaram, Sankar

, He, Qian

, Morad, Moataz, Miedziak, Peter John, Taylor, Stuart H.

, Knight, David William, Bethell, Donald, Kiely, Christopher John

, Gavriilidis, Asterios and Hutchings, Graham John

2013. Selective suppression of disproportionation reaction in solvent-less benzyl alcohol oxidation catalysed by supported Au-Pd nanoparticles. Catalysis Today 203 , pp. 146-152. 10.1016/j.cattod.2012.05.023

Carpenter, Barry K.

2013. Energy disposition in reactive intermediates. Chemical Reviews , 130301085532008. 10.1021/cr300511u

Carta, Mariolino

, Malpass-Evans, Richard, Croad, Matthew, Rogan, Yulia, Jansen, Johannes C., Bernardo, Paola, Bazzarelli, Fabio and McKeown, Neil B. 2013. An efficient polymer molecular sieve for membrane gas separations. Science 339 (6117) , pp. 303-307. 10.1126/science.1228032

Carter, Emma

, Cavell, Kingsley John, Gabrielli, William F., Hanton, Martin J., Hallett, Andrew Jon, McDyre, Lucia, Platts, James Alexis

, Smith, David M. and Murphy, Damien Martin

2013. Formation of [Cr(CO)x(Ph2PN(iPr)PPh2)]+Structural Isomers by Reaction of Triethylaluminum with a ChromiumN,N-Bis(diarylphosphino)amine Complex [Cr(CO)4(Ph2PN(iPr)PPh2)]+: An EPR and DFT Investigation. Organometallics 32 (6) , pp. 1924-1931. 10.1021/om400029y

Carter, Emma

, Hazeland, Elizabeth Louise, Murphy, Damien Martin

and Ward, Benjamin David

2013. Structure, EPR/ENDOR and DFT characterisation of a [CuII(en)2](OTf)2 complex. Dalton Transactions 42 (42) , pp. 15088-15096. 10.1039/c3dt51694f

Cascón, Oscar, Richter, Gerald, Allemann, Rudolf Konrad

and Wirth, Thomas

2013. Efficient terpene synthase catalysis by extraction in flow. ChemPlusChem 78 (11) , pp. 1334-1337. 10.1002/cplu.201300303

Chanapai, Seni 2013. Photocontrol of artificial transcription factors. PhD Thesis, Cardiff University.
Item availability restricted.

Chen, Mengbin, Al-Lami, Naeemah, Janvier, Marine, D'Antonio, Edward L., Faraldos, Juan A., Cane, David E., Allemann, Rudolf Konrad

and Christianson, David W. 2013. Mechanistic insights from the binding of substrate and carbocation intermediate analogues to aristolochene synthase. Biochemistry 52 (32) , pp. 5441-5453. 10.1021/bi400691v

Cheong, Soshan, Graham, Leah, Brett, Gemma Louise, Henning, Anna M., Watt, John, Miedziak, Peter John, Song, Minghui, Takeda, Yoshihiko, Taylor, Stuart H.

and Tilley, Richard D. 2013. Au-Pd core-shell nanoparticles as alcohol oxidation catalysts: effect of shape and composition. ChemSusChem 6 (10) , pp. 1858-1862. 10.1002/cssc.201300483

Citta, Anna, Schuh, Esther, Mohr, Fabian, Folda, Alessandra, Massimino, Maria Lina, Bindoli, Alberto, Casini, Angela

and Rigobello, Maria Pia 2013. Fluorescent silver(I) and gold(I)-N-heterocyclic carbene complexes with cytotoxic properties: mechanistic insights. Metallomics 5 (8) , pp. 1006-1015. 10.1039/C3MT20260G

Collins, Peter, Carpenter, Barry K.

, Ezra, Gregory S. and Wiggins, Stephen 2013. Nonstatistical dynamics on potentials exhibiting reaction path bifurcations and valley-ridge inflection points. Journal of Chemical Physics 139 (15) , 154108. 10.1063/1.4825155

Collins, S. P., Dolbnya, I., Palmer, B. A., Edwards-Gau, Gregory R., Morte-Ródenas, Anabel, Kariuki, Benson

, Lim, G. Keat, Harris, Kenneth David Maclean

and Joly, Y. 2013. X-ray birefringence in highly anisotropic materials. Journal of Physics. Conference Series 425 (13) , 132015. 10.1088/1742-6596/425/13/132015

Constantinides, Christos P., Carter, Emma

, Manoli, Maria, Leitus, Gregory M., Bendikov, Michael, Rawson, Jeremy M. and Koutentis, Panayiotis A. 2013. Spin-triplet excitons in 1,3-diphenyl-7-(fur-2-yl)-1,4-dihydro-1,2,4-benzotriazin-4-yl. Chemical Communications 49 (77) , pp. 8662-8664. 10.1039/c3cc44899a

Conte, Marco, Davies, Catherine, Morgan, David John

, Davies, Thomas E., Carley, Albert Frederick, Johnston, Peter and Hutchings, Graham John

2013. Modifications of the metal and support during the deactivation and regeneration of Au/C catalysts for the hydrochlorination of acetylene. Catalysis Science and Technology 3 (1) , pp. 128-134. 10.1039/C2CY20478A

Conte, Marco, Davies, Catherine, Morgan, David John

, Davies, Thomas E., Elias, David J., Carley, Albert Frederick, Johnston, Peter and Hutchings, Graham John

2013. Aqua regia activated Au/C catalysts for the hydrochlorination of acetylene. Journal of Catalysis 297 , pp. 128-136. 10.1016/j.jcat.2012.10.002

Conte, Marco, Davies, Catherine, Morgan, David John

, Carley, Albert Frederick, Johnston, Peter and Hutchings, Graham John

2013. Characterization of Au3+ species in Au/C catalysts for the hydrochlorination reaction of acetylene. Catalysis Letters 144 (1) , pp. 1-8. 10.1007/s10562-013-1138-8

Contel, Maria, Vasileuski, Vadim, Lease, Nicholas, Carreira, Monica, De Almeida, Andreia

, Sanau, Mercedes, Jimenez, Josefina, Gascon, Elena and Casini, Angela

2013. Iminophosphorane d(8) transition metal complexes as potential anticancer agents via a non-cisplatin mode of action. Abstracts of Papers of the American Chemical Society 245

Croad, Matthew 2013. Microporous polymers for carbon dioxide capture. PhD Thesis, Cardiff University.
Item availability restricted.

D'Agostino, Carmine, Kotionova, Tatyana, Mitchell, Jonathan, Miedziak, Peter John, Knight, David William, Taylor, Stuart H.

, Gladden, Lynn F. and Mantle, Mick D. 2013. Solvent effect and reactivity trend in the aerobic oxidation of 1,3-Propanediols over gold supported on Titania: NMR diffusion and relaxation studies. Chemistry - A European Journal 19 (35) , pp. 11725-11732. 10.1002/chem.201300502

Das, Dipanwita, Agarwala, Hemlata, Chowdhury, Abhishek Dutta, Patra, Tuhin, Mobin, Shaikh M., Sarkar, Biprajit, Kaim, Wolfgang and Lahiri, Goutam Kumar 2013. Four-center oxidation state combinations and near-infrared absorption in [Ru(pap)(Q)2]n(Q=3,5-Di-tert-butyl-N-aryl-1,2-benzoquinonemonoimine, pap=2-Phenylazopyridine). Chemistry - A European Journal 19 (23) , pp. 7384-7394. 10.1002/chem.201204620

Davies, Catherine 2013. Gold catalysts for the hydrochlorination of acetylene. PhD Thesis, Cardiff University.
Item availability restricted.

Davies, Alyn T., Taylor, James E., Douglas, James, Collett, Christopher J., Morrill, Louis

, Fallan, Charlene, Slawin, Alexandra M. Z., Churchill, Gwydion and Smith, Andrew D. 2013. Stereospecific Asymmetric N-Heterocyclic Carbene (NHC)-Catalyzed Redox Synthesis of Trifluoromethyl Dihydropyranones and Mechanistic Insights. Journal of Organic Chemistry 78 (18) , pp. 9243-9257. 10.1021/jo401433q

Davies, Robert J., Bowker, Michael

and Morgan, David John

2013. A facile route to model catalysts: the synthesis of Au@Pd core-shell nanoparticles on y-Fe2O3 (0001). Nanoscale 5 , pp. 9018-9022. 10.1039/c3nr03047d

Dávila-Ibáñez, Ana B., Buurma, Niklaas Jan

and Salgueiriño, Verónica 2013. Assessment of DNA complexation onto polyelectrolyte-coated magnetic silica nanoparticles. Nanoscale 5 (11) , pp. 4797-4807. 10.1039/c3nr34358h

De Almeida, Andreia

, Oliveira, Bruno L., Correia, Joao D.G., Soveral, Graca and Casini, Angela

2013. Emerging protein targets for metal-based pharmaceutical agents: an update. Coordination Chemistry Reviews 257 (19-20) , pp. 2689-2704. 10.1016/j.ccr.2013.01.031

De Visser, S. P., Porro, C. S., Quesne, Matthew, Mala, Alhaji and Munro, A. W. 2013. Overview on theoretical studies discriminating the two-oxidant versus two-state-reactivity models for substrate monoxygenation by cytochrome P450 enzymes. Current Topics in Medicinal Chemistry 13 (18) , pp. 2218-2232. 10.2174/15680266113136660155

Deb, Arghya, Manna, Srimanta, Modak, Atanu, Patra, Tuhin, Maity, Soham and Maiti, Debabrata 2013. Oxidative trifluoromethylation of unactivated olefins: an efficient and practical synthesis of α‐trifluoromethyl‐substituted ketones. Angewandte Chemie International Edition 52 (37) , pp. 9747-9750. 10.1002/anie.201303576

Deng, Zhiyong and Pera-Titus, Marc 2013. In situ crystallization of b-oriented MFI films on plane and curved substrates coated with a mesoporous silica layer. Materials Research Bulletin 48 (5) , pp. 1874-1880. 10.1016/j.materresbull.2013.01.020

Dimitratos, Nikolaos

, Kiely, Christopher John

2013. CHAPTER 1. General introduction to the field of environmental catalysis: green catalysis with supported gold and gold bimetallic nanoparticles. Avgouropoulos, George and Tabakova, Tatyana, eds. Environmental Catalysis over Gold-Based Materials, Royal Society of Chemistry, pp. 1-20. (10.1039/9781849737364-00001)

Downing, C.A., Sokol, A.A. and Catlow, Charles Richard

2013. The reactivity of CO2 on the MgO(100) surface. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 16 (1) , pp. 184-195. 10.1039/C3CP53458H

Dowson, George R. M., Haddow, Mairi F., Lee, Jason, Wingad, Richard L. and Wass, Duncan F.

2013. Catalytic conversion of ethanol into an advanced biofuel: Unprecedented selectivity for n-butanol. Angewandte Chemie 125 (34) , pp. 9175-9178. 10.1002/ange.201303723

Dowson, George R. M., Haddow, Mairi F., Lee, Jason, Wingad, Richard L. and Wass, Duncan F.

2013. Catalytic conversion of ethanol into an advanced biofuel: Unprecedented selectivity for n-butanol. Angewandte Chemie International Edition 52 (34) , pp. 9005-9008. 10.1002/anie.201303723

Dudenko, Dmytro, Williams, Philip Andrew, Hughes, Colan Evan, Antzutkin, Oleg N., Velaga, Sitaram P., Brown, Steven P. and Harris, Kenneth David Maclean

2013. Exploiting the synergy of powder X-ray diffraction and solid-state NMR spectroscopy in structure determination of organic molecular solids. The Journal of Physical Chemistry C 117 (23) , pp. 12258-12265. 10.1021/jp4041106

Dudenko, Dmytro, Yates, Jonathan R., Harris, Kenneth David Maclean

and Brown, Steven P. 2013. An NMR crystallography DFT-D approach to analyse the role of intermolecular hydrogen bonding and π–π interactions in driving cocrystallisation of indomethacin and nicotinamide. Crystengcomm 15 (43) , pp. 8797-8807. 10.1039/c3ce41240g

Dunsford, Jay James, Tromp, Dorette S., Cavell, Kingsley John, Elsevier, Cornelis J. and Kariuki, Benson

2013. N-alkyl functionalised expanded ring N-heterocyclic carbene complexes of rhodium(i) and iridium(i): structural investigations and preliminary catalytic evaluation. Dalton Transactions 42 (20) , pp. 7318-7329. 10.1039/c2dt32823b

Dzade, Nelson Y.

2013. Adsorption of methylamine on mackinawite (FES) surfaces: A density functional theory study. The Journal of Chemical Physics 139 (12) , 124708. 10.1063/1.4822040

Edwards, Jennifer Kelly

, Parker, Stewart F., Pritchard, James, Piccinini, Marco, Freakley, Simon J., He, Qian, Carley, Albert Frederick, Kiely, Christopher John

2013. Effect of acid pre-treatment on AuPd/SiO2 catalysts for the direct synthesis of hydrogen peroxide. Catalysis Science & Technology 3 (3) , pp. 812-818. 10.1039/c2cy20767b

El-Betany, Alaa Mohamed, Vachova, Lenka, Bezzu, Caterina Grazia, Pope, Simon J. A.

and McKeown, Neil B. 2013. The synthesis and study of fluorescent PAMAM-based dendritic molecules. Tetrahedron 69 (39) , pp. 8439-8445. 10.1016/j.tet.2013.07.054

El-Hiti, Gamal A., Smith, Keith, Elliott, Mark Christopher

, Jones, Dyfyr Heulyn and Kariuki, Benson

2013. (E)-2-(1,1-Dicyclohexyl-3-phenylallyl)-5,5-dimethyl-1,3,2-dioxaborinane. Acta Crystallographica Section E - Structure Reports Online 69 (9) , o1403. 10.1107/S1600536813021739

El-Hiti, Gamal A., Smith, Keith, Jones, Dyfyr Heulyn, Masmali, Ali and Kariuki, Benson M.

2013. (Z)-N-(2,6-Diisopropylphenyl)-4-nitrobenzimidoyl chloride. Acta Crystallographica Section E 69 (9) , o1384. 10.1107/S1600536813020862

El-Hiti, Gamal, Smith, Keith, Masmali, Ali, Balakit, Asim Alaa Abdalhussein and Kariuki, Benson

2013. 4-(5-{2-[5-(4-Cyanophenyl)-3-methylthiophen-2-yl]-3,3,4,4,5,5-hexafluorocyclopent-1-en-1-yl}-4-methylthiophen-2-yl)benzonitrile chloroform hemisolvate. Acta Crystallographica Section E - Structure Reports Online 69 (7) , o1041. 10.1107/S1600536813014852

Elliott, Mark Christopher

, Smith, Keith, Jones, Dyfyr Heulyn, Hussain, Aja and Saleh, Basil A. 2013. Factors affecting migration of tertiary alkyl groups in reactions of alkylboronic esters with bromomethyllithium. The Journal of Organic Chemistry 78 (7) , pp. 3057-3064. 10.1021/jo4000459

Elliott, Mark Christopher

and Smith, Keith 2013. Migratory aptitudes of alkyl groups on boron: a computational study of halomethyllithium-induced migration reactions. Organometallics 32 (17) , pp. 4878-4881. 10.1021/om4006164

Ermondi, Giuseppe, Caron, Giulia, Ravera, Mauro, Gabano, Elisabetta, Bianco, Sabrina, Platts, James Alexis

and Osella, Domenico 2013. Molecular interaction fields vs. quantum-mechanical-based descriptors in the modelling of lipophilicity of platinum(iv) complexes. Dalton Transactions 42 (10) , pp. 3482-3489. 10.1039/c2dt32360e

Fan, Zhaoyu, Corbet, Matthieu, Zhao, Yan, De Campo, Floryan, Clacens, Jean-Marc, Pera-Titus, Marc, Métivier, Pascal and Wang, Limin 2013. Cyclic glyceryl sulfate: a simple and versatile bio-based synthon for the facile and convergent synthesis of novel surface-active agents. Tetrahedron Letters 54 (28) , pp. 3595-3598. 10.1016/j.tetlet.2013.04.068

Faraldos, Juan A., Coates, Robert M. and Giner, José-Luis 2013. Alternative synthesis of the Colorado potato beetle pheromone. Journal of Organic Chemistry 78 (20) , pp. 10548-10554. 10.1021/jo4017056

Farid, Umar 2013. Stereoselective reactions of alkenes mediated by chiral hypervalent iodine reagents. PhD Thesis, Cardiff University.
Item availability restricted.

Farid, Umar, Malmedy, Florence, Claveau, Romain, Albers, Lena and Wirth, Thomas

2013. Stereoselektive Umlagerungen mit chiralen hypervalenten Iodreagentien. Angewandte Chemie 125 (27) , pp. 7156-7160. 10.1002/ange.201302358

Farid, Umar, Malmedy, Florence, Claveau, Romain, Albers, Lena and Wirth, Thomas

2013. Stereoselective rearrangements with chiral hypervalent iodine reagents. Angewandte Chemie - International Edition 52 (27) , pp. 7018-7022. 10.1002/anie.201302358

Fella, Carolin M., Uhl, Alexander R., Hammond, Ceri

, Hermans, Ive, Romanyuk, Yaroslav E. and Tiwari, Ayodhya N. 2013. Formation mechanism of Cu2ZnSnSe4 absorber layers during selenization of solution deposited metal precursors. Journal of Alloys and Compounds 567 , pp. 102-106. 10.1016/j.jallcom.2013.03.056

Feng, Junting, Ma, Chao, Miedziak, Peter John, Edwards, Jennifer Kelly

, Brett, Gemma Louise, Li, Dianqing, Du, Yiyun, Morgan, David John

2013. Au–Pd nanoalloys supported on Mg–Al mixed metal oxides as a multifunctional catalyst for solvent-free oxidation of benzyl alcohol. Dalton Transactions 42 (40) , pp. 14498-14508. 10.1039/c3dt51855h

Fennell, John, He, Dongsheng, Tanyi, Anicetus Muche, Logsdail, Andrew

, Johnston, Roy L., Li, Z. Y. and Horswell, Sarah L. 2013. A selective blocking method To control the overgrowth of Pt on Au Nanorods. Journal of the American Chemical Society 135 (17) , pp. 6554-6561. 10.1021/ja4003475

Folli, Andrea

, Bloh, Jonathan Z., Beukes, Eva-Panduleni, Howe, Russell F. and Macphee, Donald E. 2013. Photogenerated charge carriers and paramagnetic species in (W,N)-codoped TiO2 photocatalysts under visible-light irradiation: An EPR study. Journal of Physical Chemistry C 117 (42) , p. 22149. 10.1021/jp408181r

Forde, Michael M., Armstrong, Robert, Hammond, Ceri

, He, Qian

, Jenkins, Robert Leyshon, Kondrat, Simon A., Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Taylor, Stuart H.

, Kiely, Christopher John

2013. Partial oxidation of ethane to oxygenates using Fe- and Cu-containing ZSM-5. Journal of the American Chemical Society 135 (30) , pp. 11087-11099. 10.1021/ja403060n

Freakley, Simon J., Piccinini, Marco, Edwards, Jennifer Kelly

, Ntainjua, Edwin N., Moulijn, Jacob and Hutchings, Graham John

2013. Effect of reaction conditions on the direct synthesis of hydrogen peroxide with a AuPd/TiO2Catalyst in a flow reactor. ACS Catalysis 3 (4) , pp. 487-501. 10.1021/cs400004y

Garcia, Tomas, Sellick, David Richard, Varela, Francisco, Vázquez, Isabel, Dejoz, Ana, Agouram, Said, Taylor, Stuart H.

and Solsona, Benjamin 2013. Total oxidation of naphthalene using bulk manganese oxide catalysts. Applied Catalysis A: General 450 , pp. 169-177. 10.1016/j.apcata.2012.10.029

Gatti, Marco Maria 2013. Gold catalysts for liquid phase epoxidation of terminal alkenes: 1-decene and propene. MPhil Thesis, Cardiff University.
Item availability restricted.

Gkionis, Konstantinos, Mutter, Shaun and Platts, James Alexis

2013. QM/MM description of platinum-DNA interactions: comparison of binding and DNA distortion of five drugs. RSC Advances 3 (12) , pp. 4066-4073. 10.1039/c3ra23041d

Golunski, Stanislaw E.

2013. Final analysis: Catalysis "after the goldrush". Platinum Metals Review 57 (1) , pp. 82-84.

Gonzaga De Oliveira, Luciana, Pupo, Mônica Tallarico and Vieira, Paulo Cezar 2013. Explorando produtos naturais microbianos nas fronteiras da química e da biologia Exploring natural microbial products at the frontiers of chemistry and biology. Química Nova 36 (10) , pp. 1577-1586. 10.1590/S0100-40422013001000015

Grasset, Fabien L., Katryniok, Benjamin, Paul, Sébastien, Nardello-Rataj, Véronique, Pera-Titus, Marc, Clacens, Jean-Marc, De Campo, Floryan and Dumeignil, Franck 2013. Selective oxidation of 5-hydroxymethylfurfural to 2,5-diformylfuran over intercalated vanadium phosphate oxides. RSC Advances 3 (25) , pp. 9942-9948. 10.1039/c3ra41890a

Gridley, Benjamin M., Blundell, Toby J., Moxey, Graeme J., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2013. Cubane and dicubane complexes stabilised by sterically demanding m-terphenyl ligands. Chemical Communications 49 (84) , pp. 9752-9754. 10.1039/C3CC46384B

Gridley, Benjamin M., Moxey, Graeme J., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2013. Conformational isomerism in monomeric, low-coordinate group 12 complexes stabilized by a naphthyl-substituted m-terphenyl ligand. Chemistry - A European Journal 19 (34) , pp. 11446-11453. 10.1002/chem.201301872

Griffith, E. C., Carpenter, Barry K.

, Shoemaker, R. K. and Vaida, V. 2013. Photochemistry of aqueous pyruvic acid. Proceedings of the National Academy of Sciences 110 (29) , pp. 11714-11719. 10.1073/pnas.1303206110

Griffiths, Peter Charles, Mauro, Nicolo, Murphy, Damien Martin

, Carter, Emma

, Richardson, Simon C. W., Dyer, Paul and Ferruti, Paolo 2013. Self-assembled PAA-based nanoparticles as potential gene and protein delivery systems. Macromolecular Bioscience 13 (5) , pp. 641-649. 10.1002/mabi.201200462

Guidi, Francesca, Modesti, Alessandra, Landini, Ida, Nobili, Stefania, Mini, Enrico, Bini, Luca, Puglia, Michele, Casini, Angela

, Dyson, Paul J., Gabbiani, Chiara and Messori, Luigi 2013. The molecular mechanisms of antimetastatic ruthenium compounds explored through DIGE proteomics. Journal of Inorganic Biochemistry 118 , pp. 94-99. 10.1016/j.jinorgbio.2012.10.003

Guo, Jiannan, Loveridge, Edric Joel, Luk, Louis Yu Pan

2013. Effect of dimerization on dihydrofolate reductase catalysis. Biochemistry 52 (22) , pp. 3881-3887. 10.1021/bi4005073

Guo, Jian Nan 2013. Thermophilicity and catalytic efficiency in dihydrofolate reductase. PhD Thesis, Cardiff University.
Item availability restricted.

Hammond, Ceri

, Conrad, Sabrina and Hermans, Ive 2013. Simple and scalable synthesis of highly active Lewis acidic Sn-b [Abstract]. Presented at: 245th ACS National Meeting, New Orleans, LA, 7-11 April 2013. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. American Chemical Socieity:

Hammond, Ceri

, Dimitratos, Nikolaos

, Hagen, Henk, Stangland, Eric E. and Hutchings, Graham John

2013. Insights into the selective and catalytic oxidation of methane to methanol with Cu-promoted Fe-ZSM-5 at mild conditions [Abstract]. Presented at: 245th ACS National Meeting, New Orleans, LA, 7-11 April 2013. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. American Chemical Society,

Hammond, Ceri

, Dimitratos, Nikolaos

, Jenkins, Robert Leyshon, Lopez-Sanchez, Jose Antonio, Kondrat, Simon A., Ab Rahim, Mohd Hasbi, Forde, Michael M., Thetford, Adam, Taylor, Stuart H.

, Hagen, Henk, Stangland, Eric E., Kang, Joo H., Moulijn, Jacob, Willock, David James

2013. Elucidation and evolution of the active component within Cu/Fe/ZSM-5 for catalytic methane oxidation: from synthesis to catalysis. ACS Catalysis 3 (4) , pp. 689-699. 10.1021/cs3007999

Hammond, Ceri

, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Jenkins, Robert Leyshon, Whiting, Gareth, Kondrat, Simon A., Ab Rahim, Mohd Hasbi, Forde, Michael M., Thetford, Adam, Hagen, Henk, Stangland, Eric E., Moulijn, Jacob, Taylor, Stuart H.

2013. Aqueous-phase methane oxidation over Fe-MFI zeolites: promotion through isomorphous framework substitution. ACS Catalysis 3 (8) , pp. 1835-1844. 10.1021/cs400288b

Hammond, Ceri

, Schuemperli, Martin T., Conrad, Sabrina and Hermans, Ive 2013. Hydrogen transfer processes mediated by supported iridium oxide nanoparticles. ChemCatChem 5 (10) , pp. 2983-2990. 10.1002/cctc.201300253

Hammond, Ceri

, Schuemperli, Martin T. and Hermans, Ive 2013. Insights into the oxidative dehydrogenation of amines with nanoparticulate iridium oxide. Chemistry - a European Journal 19 (39) , pp. 13193-13198. 10.1002/chem.201301596

Hammond, Ceri

, Straus, Julian, Righettoni, Marco, Pratsinis, Sotiris E. and Hermans, Ive 2013. Nanoparticulate tungsten oxide for catalytic epoxidations. ACS Catalysis 3 (3) , pp. 321-327. 10.1021/cs300826c

Harris, Kenneth David Maclean

2013. Mechanochemical synthesis: How grinding evolves. Nature Chemistry 5 (1) , pp. 12-14. 10.1038/nchem.1539

Hartinger, Christian G., Groessl, Michael, Meier, Samuel M., Casini, Angela

and Dyson, Paul J. 2013. Application of mass spectrometric techniques to delineate the modes-of-action of anticancer metallodrugs. Chemical Society Reviews 42 (14) , pp. 6186-6199. 10.1039/C3CS35532B

Hashem, Emtithal, Lorusso, Guilia, Evangelisti, Marco, McCabe, Thomas, Schulzke, Carola, Platts, James Alexis

and Baker, Robert J. 2013. Fingerprinting the oxidation state of U(IV) by emission spectroscopy. Dalton Transactions 41 , pp. 14677-14680. 10.1039/c3dt52151f

Hashem, Emtithal, Swinburne, Adam N., Schulzke, Carola, Evans, Rachel C., Platts, James Alexis

, Kerridge, Andrew, Natrajan, Louise S. and Baker, Robert J. 2013. Emission spectroscopy of uranium(iv) compounds: a combined synthetic, spectroscopic and computational study. RSC Advances 3 (13) , pp. 4350-4361. 10.1039/c3ra22712j

Hatcher, Lauren E.

and Raithby, Paul R. 2013. Solid-state photochemistry of molecular photo-switchable species: the role of photocrystallographic techniques. Acta Crystallographica Section C: Crystal Structure Communications 69 (12) 10.1107/S010827011303223X

Hayward, James 2013. Supported metal catalysts for the production of chemical precursors. PhD Thesis, Cardiff University.
Item availability restricted.

He, Qian

, Miedziak, Peter John, Kesavan, Lokesh, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Forde, Michael M., Edwards, Jennifer Kelly

, Knight, David William, Taylor, Stuart H.

, Kiely, Christopher John

2013. Switching-off toluene formation in the solvent-free oxidation of benzyl alcohol using supported trimetallic Au-Pd-Pt nanoparticles. Faraday Discussions 162 , pp. 365-378. 10.1039/c2fd20153d

Henning, Anna M., Watt, John, Miedziak, Peter John, Cheong, Soshan, Santonastaso, Marco, Song, Minghui, Takeda, Yoshihiko, Kirkland, Angus I., Taylor, Stuart H.

and Tilley, Richard D. 2013. Gold-palladium core-shell nanocrystals with size and shape control optimized for catalytic performance. Angewandte Chemie - International Edition 52 (5) , pp. 1477-1480. 10.1002/anie.201207824

Henry, Kelly E., Balasingham, Rebeca, Vortherms, Anthony R., Platts, James Alexis

, Valliant, John F., Coogan, Michael P., Zubieta, Jon and Doyle, Robert P. 2013. Emission wavelength variation with changes in excitation in a Re(i)-bisthiazole ligand complex that breaks the Kasha-Vavilov rule. Chemical Science 4 (6) , pp. 2490-2495. 10.1039/c3sc22070b

Hollamby, Tom 2013. The synthesis of triphosphine ligands and their macrocycles. MPhil Thesis, Cardiff University.
Item availability restricted.

Husby, Jarmila, Todd, Alan K., Platts, James Alexis

and Neidle, Stephen 2013. Small-molecule G-quadruplex interactions: Systematic exploration of conformational space using multiple molecular dynamics. Biopolymers 99 (12) , pp. 989-1005. 10.1002/bip.22340

Irrera, Simona, Roldan Martinez, Alberto

, Portalone, Gustavo and de Leeuw, Nora H.

2013. The role of hydrogen bonding and proton transfer in the formation of uracil networks on the gold (100) surface: a density functional theory approach. Journal of Physical Chemistry C 117 (8) , pp. 3949-3957. 10.1021/jp3094353

Jeffs, Corinne A., Smith, Martin W., Stone, Corinne A., Bezzu, Caterina Grazia, Msayib, Kadhum J., McKeown, Neil B. and Perera, Semali P. 2013. A polymer of intrinsic microporosity as the active binder to enhance adsorption/separation properties of composite hollow fibres. Microporous and Mesoporous Materials 170 , pp. 105-112. 10.1016/j.micromeso.2012.11.039

Jenkins, Andrew 2013. Multireference approximate variational coupled cluster theories. PhD Thesis, Cardiff University.
Item availability restricted.

Jiang, Dong, Wang, Wenzhong, Gao, Erping, Zhang, Ling and Sun, Songmei 2013. Bismuth-Induced Integration of Solar Energy Conversion with Synergistic Low-Temperature Catalysis in Ce1–xBixO2−δ Nanorods. Journal of Physical Chemistry C 117 (46) , 24242--24249. 10.1021/jp4092943

Jones, Dyfyr Heulyn 2013. Approaches to quaternary carbon centres using organoboron chemistry. PhD Thesis, Cardiff University.
Item availability restricted.

Jones, Gareth, Robertazzi, Arutro and Platts, James Alexis

2013. Efficient and accurate theoretical methods to investigate anion-π interactions in protein model structures. Journal of Physical Chemistry B 117 (12) , pp. 3315-3322. 10.1021/jp400345s

Kelly, Michael J., Broomsgrove, Alexander E.J., Morgan, Ian Rhys

, Siewert, Inke, Fitzpatrick, Philip, Smart, Jessica, Vidovic, Dragoslav and Aldridge, Simon 2013. Syntheses and Anion Binding Capabilities of Bis(diarylboryl) Ferrocenes and Related Systems. Organometallics 32 (9) , pp. 2674-2684. 10.1021/om400152x

Khoj, Manal A., Hughes, Colan Evan, Harris, Kenneth David Maclean

2013. Polymorphism in a trans-cinnamic acid derivative exhibiting two distinct β‑type phases: structural properties, [2 + 2] photodimerization reactions, and polymorphic phase transition behavior. Crystal Growth and Design 13 (9) , pp. 4110-4117. 10.1021/cg4009202

Knight, James Christopher, Saad, Fawaz A., Wuest, Melinda, Wang, Monica, Lapi, Suzanne E., Kariuki, Benson

and Wuest, Frank R. 2013. Synthesis, characterisation and radiopharmacological evaluation of a novel copper-64 complex derived from a tripodal N4S ligand [Poster presentation]. Journal of Labelled Compounds and Radiopharmaceuticals 56 (S1) , S213.

Knight, James Christopher, Wuest, Melinda, Saad, Fawaz A., Wang, Monica, Chapman, David W., Jans, Hans-Soenke, Lapi, Suzanne E., Kariuki, Benson

and Wuest, Frank 2013. Synthesis, characterisation and evaluation of a novel copper-64 complex with selective uptake in EMT-6 cells under hypoxic conditions. Dalton Transactions 42 (33) , pp. 12005-12014. 10.1039/c3dt50960e

König, Burkhard, Kreitmeier, Peter, Hilgers, Petra and Wirth, Thomas

2013. Flow chemistry in undergraduate organic chemistry education. Journal of Chemical Education 90 (7) , pp. 934-936. 10.1021/ed3006083

Kumari, Niraj, Hasan, Md. Amin, Ward, Benjamin David

and Mishra, Lallan 2013. Reactivity of tetrabutylammonium iodide with a heteronuclear 6Copper(II)-4Na(I) complex: selective recognition of iodide ion. Industrial & Engineering Chemistry Research 52 (43) , pp. 15007-15014. 10.1021/ie401373m

Ladak, Sam

, Ball, J. M., Moseley, Daniel, Eda, G., Branford, W. R., Chhowalla, M., Anthopoulos, T. D. and Cohen, L. F. 2013. Observation of wrinkle induced potential drops in biased chemically derived graphene thin film networks. Carbon 64 , pp. 35-44.

Langdon-Jones, Emily Elizabeth, Hallett, Andrew Jon, Routledge, Jack D., Crole, David Alexander, Ward, Benjamin David

2013. Using substituted cyclometalated quinoxaline ligands to finely tune the luminescence properties of iridium(III) complexes. Inorganic Chemistr 52 (1) , pp. 448-456. 10.1021/ic301853t

Latifi, Reza, Mala, Alhaji, Rybak‐Akimova, E. and de Visser, S. 2013. Does hydrogen-bonding donation to manganese(IV)-oxo and iron(IV)-oxo oxidants affect the oxygen-atom transfer ability? a computational study. Chemistry - A European Journal 19 (12) , pp. 4058-4068. 10.1002/chem.201202811

Le, Nhien H., Seema, Humaira, Kemp, K. Christian, Ahmed, Nisar

, Tiwari, Jitendra N., Park, Sungjin and Kim, Kwang S. 2013. Solution-processable conductive micro-hydrogels of nanoparticle/graphene platelets produced by reversible self-assembly and aqueous exfoliation. Journal of Materials Chemistry A 1 (41) , pp. 12900-12908. 10.1039/c3ta12735d

Lease, Nicholas, Vasilevski, Vadim, Carreira, Monica, De Almeida, Andreia

, Sanau, Mercedes, Hirva, Pipsa, Casini, Angela

and Contel, Maria 2013. Potential anticancer heterometallic Fe-Au and Fe-Pd agents: initial mechanistic insights. Journal of Medicinal Chemistry 56 (14) , pp. 5806-5818. 10.1021/jm4007615

Lee, Christopher 2013. Computer simulation of ethylene glycol oxidation and methanol – water interactions. PhD Thesis, Cardiff University.
Item availability restricted.

Lehman, Julia H., Li, Hongwei, Beames, Joseph

and Lester, Marsha I. 2013. Communication: Ultraviolet photodissociation dynamics of the simplest Criegee intermediate CH2OO. Journal of Chemical Physics 139 (14) , 141103. 10.1063/1.4824655

Ley, Steven V., Ingham, Richard J., O'Brien, Matthew and Browne, Duncan L.

2013. Camera-enabled techniques for organic synthesis. Beilstein Journal of Organic Chemistry 9 , pp. 1051-1072. 10.3762/bjoc.9.118

Ley, Steven, Nakayama, Keiji, Browne, Duncan L.

and Baxendale, Ian 2013. Studies of a Diastereoselective Electrophilic Fluorination Reaction Employing a Cryo-Flow Reactor. Synlett 24 (10) , pp. 1298-1302. 10.1055/s-0033-1338455

Li, Jian-Xu, Fang, Xin, Zhao, Qin, Ruan, Ju-Xin, Yang, Chang-Qing, Wang, Ling-Jian, Miller, David James, Faraldos, Juan A., Allemann, Rudolf Konrad

, Chen, Xiao-Ya and Zhang, Peng 2013. Rational engineering of plasticity residues of sesquiterpene synthases from 'Artemisia annua': Product specificity and catalytic efficiency. Biochemical Journal 451 (3) , pp. 417-426. 10.1042/BJ20130041

Li, Jian‑Xu, Fang, Xin, Zhao, Qin, Ruan, Ju-Xin, Yang, Chang‑Qing, Wang, Ling‑Jian, Miller, David James, Faraldos, Juan A., Allemann, Rudolf Konrad

, Chen, Xiao‑Ya and Zhang, Peng 2013. Rational engineering of plasticity residues of sesquiterpene synthases from Artemisia annua: product specificity and catalytic efficiency. Biochemical Journal -London- 451 (3) , pp. 417-426. 10.1042/BJ20130041

Li, J, Soares, H. S. M. P., Moulijn, Jacob and Makkee, M 2013. Simultaneous hydrolysis and hydrogenation of cellobiose to sorbitol in molten salt hydrate media. Catalysis Science & Technology 3 (6) , pp. 1565-1572. 10.1039/C3CY20808G

Li, J., Spina, A., Moulijn, Jacob and Makkee, M 2013. Sorbitol dehydration into isosorbide in a molten salt hydrate medium. Catalysis Science & Technology 3 (6) , pp. 1540-1546. 10.1039/C3CY20809E

Li, Jianrong, Buijs, Wem, Berger, Rob J., Moulijn, Jacob and Makkee, Michiel 2013. Sorbitol dehydration in a ZnCl2 molten salt hydrate medium: molecular modeling. Catalysis Science & Technology 4 (1) , pp. 152-163. 10.1039/C3CY00686G

Liu, Fei, De Oliveira Vigier, Karine, Pera-Titus, Marc, Pouilloux, Yannick, Clacens, Jean-Marc, Decampo, Floryan and Jérôme, François 2013. Catalytic etherification of glycerol with short chain alkyl alcohols in the presence of Lewis acids. Green Chemistry 15 (4) , pp. 901-909. 10.1039/c3gc36944g

Liu, Mengmeng, Zheng, Jingtang, Liu, Qian, Xu, Shaojun, Wu, Mingbo, Xue, Qingzhong, Yan, Zifeng, Xiao, Huiji, Wei, Zhenxing and Zhu, Haiyun 2013. The preparation, load and photocatalytic performance of N-doped and CdS-coupled TiO2. RSC Advances 3 (24) , pp. 9483-9489. 10.1039/c3ra40288f

Lloyd, Matthew D., Yevglevskis, Maksims, Lee, Guat Ling, Wood, Pauline J., Threadgill, Michael D. and Woodman, Timothy J. 2013. α-Methylacyl-CoA racemase (AMACR): Metabolic enzyme, drug metabolizer and cancer marker P504S. Progress in Lipid Research 52 (2) , pp. 220-230. 10.1016/j.plipres.2013.01.001

Logsdail, Andrew

, Johnston, Roy. L. and Akola, Jaakko 2013. Improving the adsorption of Au atoms and nanoparticles on graphite via Li intercalation. Journal of Physical Chemistry C 117 (44) , pp. 22683-22695. 10.1021/jp405670v

Logsdail, Andrew

, Li, Z. Y. and Johnston, Roy L. 2013. Faceting preferences for AuN and PdN nanoclusters with high-symmetry motifs. Physical Chemistry Chemical Physics 15 (21) , pp. 8392-8400. 10.1039/c3cp50978h

Loveridge, Edric Joel, Matthews, Stella M., Williams, Christopher, Whittaker, Sara B.-M., Günther, Ulrich L., Evans, Rhiannon M., Dawson, William Michael, Crump, Matthew P. and Allemann, Rudolf Konrad

2013. Aliphatic 1H, 13C and 15N chemical shift assignments of dihydrofolate reductase from the psychropiezophile Moritella profunda in complex with NADP+ and folate. Biomolecular NMR Assignments 7 (1) , pp. 61-64. 10.1007/s12104-012-9378-x

Luk, Louis Yu Pan

, Ruiz-Pernia, J. Javier, Dawson, William Michael, Roca, Maite, Loveridge, Edric Joel, Glowacki, David R., Harvey, Jeremy N., Mulholland, Adrian J., Tunon, Inaki, Moliner, Vicent and Allemann, Rudolf Konrad

2013. Unraveling the role of protein dynamics in dihydrofolate reductase catalysis. Proceedings of the National Academy of Sciences of the United States of America 110 (41) , pp. 16344-16349. 10.1073/pnas.1312437110

Maidich, Luca, Zucca, Antonio, Clarkson, Guy J. and Rourke, Jonathan P.

2013. Oxidative addition of MeI to a rollover complex of platinum(II): isolation of the kinetic product. Organometallics 32 (11) , pp. 3371-3375. 10.1021/om400300n

Mainwaring, K., Hallin, I. L., Douglas, P., Doerr, S. H. and Morley, Christopher Peter 2013. The role of naturally occurring organic compounds in causing soil water repellency. European Journal of Soil Science 64 (5) , pp. 667-680. 10.1111/ejss.12078

Mania, Philipp, Conrad, Sabrina, Verel, Rene, Hammond, Ceri

and Hermans, Ive 2013. Thermal restructuring of silica-grafted -CrO2Cl and -VOCl2 species. Dalton Transactions 42 (35) , pp. 12725-12732. 10.1039/C3DT50843A

Mania, Philipp, Verel, Rene, Jenny, Florian, Hammond, Ceri

and Hermans, Ive 2013. Thermal restructuring of silica-grafted TiClx species and consequences for epoxidation catalysis. Chemistry - a European Journal 19 (30) , pp. 9849-9858. 10.1002/chem.201300842

Maniruzzaman, Mohammed, Morgan, David J.

, Mendham, Andrew P., Pang, Jiayun, Snowden, Martin J. and Douroumis, Dennis 2013. Drug-polymer intermolecular interactions in hot-melt extruded solid dispersions. International Journal of Pharmaceutics 443 (1-2) , pp. 199-208. 10.1016/j.ijpharm.2012.11.048

Maqbool, Tahir, Ain Khan, Misbahul, Khan, Mohammed Naeem, Elliott, Mark Christopher

, Munawar, Munawar Ali, Nasrullah, Muhammad, Bhatti, Abdul Waheed, Nazeer, Areesha and Lin, Whei-Oh 2013. Pyrazolopyridines I: Synthesis of some pyrazolo[3,4-b]pyridine-4-carboxylates. Asian Journal of Chemistry 25 (14) , pp. 7715-7718. 10.14233/ajchem.2013.14573A

Marbeuf, A., Matar, S.F., Négrier, P., Kabalan, L., Létard, J.F. and Guionneau, P. 2013. Molecular dynamics of spin crossover: The (P,T) phase diagram of [Fe(PM-BIA)2(NCS)2]. Chemical Physics 420 , pp. 25-34. 10.1016/j.chemphys.2013.04.013

Marcatili, S., Pettinato, C., Daniels, Stephen, Lewis, G., Edwards, Peter

, Fanti, S. and Spezi, Emiliano

2013. Development and validation of RAYDOSE: a Geant4-based application for molecular radiotherapy. Physics in Medicine and Biology 58 (8) , pp. 2491-2508. 10.1088/0031-9155/58/8/2491

Marega, Riccardo, Giust, Davide and Bonifazi, Davide

2013. Supramolecular chemistry of carbon nanotubes at interfaces: toward applications. Fullerenes and Other Carbon-Rich Nanostructures, Vol. 159. Structure and Bonding, Springer, pp. 193-218. (10.1007/430_2013_129)

Marin, Raimon P., Kondrat, Simon A., Pinnell, Rebecca K., Davies, Thomas Edward, Golunski, Stanislaw E.

2013. Green preparation of transition metal oxide catalysts using supercritical CO2 anti-solvent precipitation for the total oxidation of propane. Applied Catalysis B: Environmental 140 , pp. 671-679. 10.1016/j.apcatb.2013.04.076

Marozzelli, Filippo 2013. Alkanes activation over oxide catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Mart, Robert J.

, Errington, Rachel Jane

, Watkins, Catherine Louise, Chappell, Sally Claire, Wiltshire, Marie, Jones, Arwyn Tomos

, Smith, Paul James and Allemann, Rudolf Konrad

2013. BH3 helix-derived biophotonic nanoswitches regulate cytochrome c release in permeabilised cells. Molecular BioSystems 9 (11) , pp. 2597-2603. 10.1039/c3mb70246d

Martí-Rujas, Javier, Meazza, Lorenzo, Lim, Gin Keat, Terraneo, Giancarlo, Pilati, Tullio, Harris, Kenneth David Maclean

, Metrangolo, Pierangelo and Resnati, Giuseppe 2013. An adaptable and dynamically porous organic salt traps unique tetrahalide dianions. Angewandte Chemie - International Edition 52 (50) , pp. 13444-13448. 10.1002/anie.201307552

Martins, Ana Paula, Ciancetta, Antonella, De Almeida, Andreia

, Marrone, Alessandro, Re, Nazzareno, Soveral, Graca and Casini, Angela

2013. Aquaporin inhibition by gold(III) compounds: new insights. ChemMedChem 8 (7) , pp. 1086-1092. 10.1002/cmdc.201300107

McCormick, Laura J., McDonnell-Worth, Ciaran, Platts, James Alexis

, Edwards, Alison J. and Turner, David R. 2013. Investigation of steric influences on hydrogen-bonding motifs in cyclic ureas by using x-ray, neutron, and computational methods. Chemistry - An Asian Journal 8 (11) , pp. 2642-2651. 10.1002/asia.201300530

Melen, Rebecca L.

2013. Q&A: The bond shifter [interview]. Nature 502 (7471) , S56-S57. 10.1038/502S56a

Melen, Rebecca L.

2013. Applications and reactivity trends of homoleptic p-block metal amido reagents. Dalton Transactions 42 (47) , pp. 16449-16465. 10.1039/c3dt52472h

Melen, Rebecca L.

2013. Applications of pentafluorophenyl boron reagents in the synthesis of heterocyclic and aromatic compounds. Chemical Communications 50 (10) , pp. 1161-1174. 10.1039/c3cc48036d

Melen, Rebecca L.

, Eisler, Dana J., Hewitt, Rachel A. and Rawson, Jeremy M. 2013. Synthesis and structural studies on thioimides, R2CNSR and sulfur diimides, R2CNSNCR2. Dalton Transactions 42 (11) , pp. 3888-3895. 10.1039/c2dt32878j

Melen, Rebecca L.

, Hansmann, Max M., Lough, Alan J., Hashmi, A. Stephen K. and Stephan, Douglas W. 2013. Cyclisation versus 1,1-carboboration: reactions of B(C6F5)3 with propargyl amides. Chemistry - a European Journal 19 (36) , pp. 11928-11938. 10.1002/chem.201301899

Melen, Rebecca L.

, Lough, Alan J. and Stephan, Douglas W. 2013. Boron azides in Staudinger oxidations and cycloadditions. Dalton Transactions 42 (24) , pp. 8674-8683. 10.1039/c3dt50791b

Melen, Rebecca L.

and Rawson, Jeremy M. 2013. Structural variations on an electron precise theme: Rationalising the structures of main group cages. Coordination Chemistry Reviews 257 (7-8) , pp. 1232-1243. 10.1016/j.ccr.2012.11.016

Melen, Rebecca L.

and Stephan, Douglas W. 2013. Cycloaddition reactions between dicyclohexylboron azide and alkynes. Dalton Transactions 42 (14) , pp. 4795-4798. 10.1039/c3dt00068k

Miedziak, Peter, Kondrat, Simon A., Sajjad, Noreen, King, Gavin Morgan, Douthwaite, Mark, Shaw, Greg, Brett, Gemma Louise, Edwards, Jennifer

, Hussain, Ghulam and Hutchings, Graham John

2013. Physical mixing of metal acetates: optimisation of catalyst parameters to produce highly active bimetallic catalysts. Catalysis Science & Technology 3 (11) , pp. 2910-2917. 10.1039/c3cy00263b

Miller, David James, Adams, Sarah Elizabeth, Hallett, Maurice Bartlett

2013. Calpain-1 inhibitors for selective treatment of rheumatoid arthritis: what is the future? Future Medicinal Chemistry 5 (17) , pp. 2057-2074. 10.4155/fmc.13.172

Mohamed, Shaaban K., Akkurt, Mehmet, Kariuki, Benson

, Ali, Ali M. and Albayati, Mustafa R. 2013. N-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide. Acta Crystallographica Section E - Structure Reports Online 70 (1) , o54. 10.1107/S1600536813033394

Mohamed, Shaaban K., Akkurt, Mehmet, Kariuki, Benson

, Ali, Ali M. and Albayati, Mustafa R. 2013. N-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide. Acta Crystallographica Section E Structure Reports Online 70 (1) , o54. 10.1107/S1600536813033394

Moorhouse, Rhiannon S., Moxey, Graeme J., Ortu, Fabrizio, Reade, Thomas J., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2013. Structural diversity in alkali metal complexes of sterically demanding carbazol-9-yl ligands. Inorganic Chemistry 52 (5) , 2678–2683. 10.1021/ic302727w

Moreno, Inés, Dummer, Nicholas

, Alhumaimess, Mosaed, Meenakshisundaram, Sankar

, Sanz, Raul, Pizarro, Patricia, Serrano, David P. and Hutchings, Graham John

2013. Selective oxidation of benzyl alcohol using in situ generated H2O2 over hierarchical Au–Pd titanium silicalite catalysts. Catalysis Science & Technology 3 (9) , pp. 2425-2434. 10.1039/c3cy00493g

Moreno, Ines, Dummer, Nicholas

, Alhumaimess, Mosaed, Meenakshisundaram, Sankar

, Sanz, Raul, Pizarro, Patricia, Serrano, David P. and Hutchings, Graham John

2013. Selective oxidation of benzyl alcohol using in situ generated H2O2 over hierarchical Au-Pd titanium silicalite catalysts. Catalysis Science & Technology 3 (9) , pp. 2425-2434. 10.1039/c3cy00493g

Morley, N. A., Al Qahtani, H. R. H., Hodges, M. H., Gibbs, M. R. J., Grell, M., Dediu, V. and Morgan, David John

2013. Study of polymer–magnetic electrode interfaces using XPS. Applied Surface Science 265 , pp. 570-577. 10.1016/j.apsusc.2012.11.048

Morrill, Louis

, Douglas, James, Lebl, Tomas, Slawin, Alexandra M. Z., Fox, David J. and Smith, Andrew D. 2013. Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study. Chemical Science 4 (11) , pp. 4146-4155. 10.1039/c3sc51791h

Morris, Josephine Lydia, Reddington, Samuel C., Murphy, Damien Martin

, Jones, Darran Dafydd

and Tippmann, Eric Michael 2013. Aryl azide photochemistry in defined protein environments. Organic Letters 15 (4) , pp. 728-731. 10.1021/ol3028779

Morris, Josephine Lydia 2013. Utilisation of amber suppression/non-natural amino acid technology for protein engineering and cellular control. PhD Thesis, Cardiff University.
Item availability restricted.

Morris, Kyle L., Chen, Lin, Raeburn, Jaclyn, Sellick, Owen Rhys, Cotanda, Pepa, Paul, Alison

, Griffiths, Peter C., King, Stephen M., O'Reilly, Rachel K., Serpell, Louise C. and Adams, Dave J. 2013. Chemically programmed self-sorting of gelator networks. Nature Communications 4 , 1480. 10.1038/ncomms2499

Möschwitzer, Vicki Doreen, Kariuki, Benson

and Redman, James Edward

2013. Asymmetric synthesis of aminopyrimidine and cyclic guanidine amino acids. Tetrahedron Letters 54 (34) , pp. 4526-4528. 10.1016/j.tetlet.2013.06.066

Mughal, Sabeeha, Bezzu, Caterina Grazia, Carter, Emma

and McKeown, Neil B. 2013. The tetratriptycenoporphyrazines revisited. Journal of Porphyrins and Phthalocyanines 17 (08n09) , pp. 778-784. 10.1142/S1088424613500351

Murray, Philip R. D., Browne, Duncan L.

, Pastre, Julio C., Butters, Chris, Guthrie, Duncan and Ley, Steven V. 2013. Continuous flow-processing of organometallic reagents using an advanced peristaltic pumping system and the telescoped flow synthesis of (E/Z)-tamoxifen. Organic Process Research and Development 17 (9) , pp. 1192-1208. 10.1021/op4001548

Mutter, Shaun Thomas 2013. Theoretical studies of interactions of transition metal anticancer complexes with DNA. PhD Thesis, Cardiff University.
Item availability restricted.

Myshlyavtsev, A. V. and Stishenko, P. V. 2013. Relative stability of icosahedral and cuboctahedral metallic nanoparticles. Adsorption 19 (2-4) , 795–801. 10.1007/s10450-013-9519-2

Natarajan, Ramalingam, Bridgland, Lydia, Sirikulkajorn, Anchalee, Lee, Ji-Hun, Haddow, Mairi F., Magro, Germinal, Ali, Bakhat, Narayanan, Sampriya, Strickland, Peter, Charmant, Jonathan P. H., Orpen, A. Guy, McKeown, Neil B., Bezzu, Caterina Grazia and Davis, Anthony P. 2013. Tunable porous organic crystals: structural scope and adsorption properties of nanoporous steroidal ureas. Journal of the American Chemical Society 135 (45) , pp. 16912-16925. 10.1021/ja405701u

Newton, L., Slater, T.

, Clark, N. and Vijayaraghavan, A. 2013. Self assembled monolayers (SAMs) on metallic surfaces (gold and graphene) for electronic applications. Journal of Materials Chemistry C 1 (3) , pp. 376-393. 10.1039/c2tc00146b

Nowicka, Ewa

, Hofmann, Jan P., Parker, Stewart F., Meenakshisundaram, Sankar

, Lari, Giacomo M., Kondrat, Simon A., Knight, David William, Bethell, Donald, Weckhuysen, Bert M. and Hutchings, Graham John

2013. In situ spectroscopic investigation of oxidative dehydrogenation and disproportionation of benzyl alcohol. Physical Chemistry Chemical Physics 15 (29) , pp. 12147-12155. 10.1039/c3cp50710f

Ortu, Fabrizio, Moxey, Graeme J., Blake, Alexander J., Lewis, William and Kays, Deborah L.

2013. Alkaline earth complexes of silylated aminopyridinato ligands: homoleptic compounds and heterobimetallic coordination polymers. Inorganic Chemistry 52 (21) , pp. 12429-12439. 10.1021/ic4012923

Owen, Mari Elena 2013. A structural and mechanistic understanding of copper(II)-bis(oxazoline) catalysed asymmetric aziridination; an EPR and ENDOR investigation. PhD Thesis, Cardiff University.
Item availability restricted.

Paalanen, Pasi, Weckhuysen, Bert M. and Meenakshisundaram, Sankar

2013. Progress in controlling the size, composition and nanostructure of supported gold-palladium nanoparticles for catalytic applications. Catalysis Science & Technology 3 (11) , pp. 2869-2880. 10.1039/c3cy00341h

Page, Michael J., Lu, Wei Ye, Poulten, Rebecca C., Carter, Emma

, Algarra, Andrés G., Kariuki, Benson

, Macgregor, Stuart A., Mahon, Mary F., Cavell, Kingsley John, Murphy, Damien Martin

and Whittlesey, Michael K. 2013. Three-coordinate nickel(I) complexes stabilised by six-, seven- and eight-membered ring N-heterocyclic carbenes: synthesis, EPR/DFT studies and catalytic activity. Chemistry - a European Journal 19 (6) , pp. 2158-2167. 10.1002/chem.201202950

Palmer, Benjamin A., Le Comte, Annaïg, Harris, Kenneth David Maclean

and Guillaume, François 2013. Controlling spatial distributions of molecules in multicomponent organic crystals, with quantitative mapping by confocal Raman microspectrometry. Journal of the American Chemical Society 135 (39) , pp. 14512-14515. 10.1021/ja406866a

Palmer, Dasha, Levina, Marina, Douroumis, Dionysios, Maniruzzaman, Mohammed, Morgan, David J.

, Farrell, Thomas P., Rajabi-Siahboomi, Ali R. and Nokhodchi, Ali 2013. Mechanism of synergistic interactions and its influence on drug release from extended release matrices manufactured using binary mixtures of polyethylene oxide and sodium carboxymethylcellulose. Colloids and Surfaces B: Biointerfaces 104 , pp. 174-180. 10.1016/j.colsurfb.2012.11.025

Pastre, Julio C., Browne, Duncan L.

and Ley, Steven V. 2013. Flow chemistry syntheses of natural products. Chemical Society Reviews 42 (23) , pp. 8849-8869. 10.1039/c3cs60246j

Pastre, Julio C., Browne, Duncan L.

, O'Brien, Matthew and Ley, Steven V. 2013. Scaling up of continuous flow processes with gases using a tube-in-tube reactor: inline titrations and fanetizole synthesis with ammonia. Organic Process Research and Development 17 (9) , pp. 1183-1191. 10.1021/op400152r

Patra, Tuhin, Agasti, Soumitra, Akanksha and Maiti, Debabrata 2013. Nickel-catalyzed decyanation of inert carbon–cyano bonds. Chemical Communications 49 (1) , pp. 69-71. 10.1039/c2cc36883h

Patra, Tuhin, Agasti, Soumitra, Modak, Atanu and Maiti, Debabrata 2013. Nickel-catalyzed hydrogenolysis of unactivated carbon–cyano bonds. Chemical Communications 49 (75) , pp. 8362-8364. 10.1039/c3cc44562c

Patra, Tuhin, Deb, Arghya, Manna, Srimanta, Sharma, Upendra and Maiti, Debabrata 2013. Iron-Mediated Decarboxylative Trifluoromethylation of ?,?-Unsaturated Carboxylic Acids with Trifluoromethanesulfinate. European Journal of Organic Chemistry 2013 (24) , pp. 5247-5250. 10.1002/ejoc.201300473

Peneau, Virginie, He, Qian

, Shaw, Gregory, Kondrat, Simon, Davies, Thomas E., Miedziak, Peter John, Forde, Michael M., Dimitratos, Nikolaos

, Kiely, Christopher J.

, Carley, Albert Frederick, Edwards, Jennifer Kelly

2013. Selective catalytic oxidation using supported gold-platinum and palladium-platinum nanoalloys prepared by sol-immobilisation. Physical Chemistry Chemical Physics 15 (26) , pp. 10636-10644. 10.1039/C3CP50361E

Perea Marin, Raimon, Kondrat, Simon A., Gallagher, James R., Enache, Dan I., Smith, Paul John, Boldrin, Paul, Davies, Thomas Edward, Bartley, Jonathan Keith

, Combes, Garry B., Williams, Peter B., Taylor, Stuart H.

, Claridge, John B., Rosseinsky, Matthew J. and Hutchings, Graham John

2013. Preparation of Fischer–Tropsch supported cobalt catalysts using a new gas anti-solvent process. ACS Catalysis 3 (4) , pp. 764-772. 10.1021/cs4000359

Pickett, John A., Allemann, Rudolf Konrad

and Birkett, Michael A. 2013. The semiochemistry of aphids. Natural Product Reports 30 (10) , pp. 1277-1283. 10.1039/c3np70036d

Pickett, John A.

, Hooper, Antony M., Midega, Charles A. O. and Khan, Zeyaur R. 2013. Allelopathy. Parasitic Orobanchaceae , pp. 459-467. 10.1007/978-3-642-38146-1_25

Platts, James Alexis

, Hill, J. Grant, Riley, Kevin E., Rezác, Jan and Hobza, Pavel 2013. Basis set dependence of interaction energies computed using composite post-MP2 Methods. Journal of Chemical Theory and Computation 9 (1) , pp. 330-337. 10.1021/ct300842d

Platts, James Alexis

, Thomsen, Maja K. and Overgaard, Jacob 2013. Electron localisation in Ga-Heterocyclic compounds. Zeitschrift für anorganische und allgemeine Chemie 639 (11) , pp. 1979-1984. 10.1002/zaac.201200498

Postolachi, Rodica, Danac, Ramona, Buurma, Niklaas Jan

, Pui, Aurel, Balan, Mihaela, Shova, Sergiu and Deleanu, Calin 2013. New cycloimmonium ylide ligands and their palladium(ii) affinities. RSC Advances 3 (38) , pp. 17260-17270. 10.1039/c3ra41911h

Poulten, Rebecca C., Page, Michael J., Algarra, Andrés G., Le Roy, Jennifer J., López, Isidoro, Carter, Emma

, Llobet, Antoni, Macgregor, Stuart A., Mahon, Mary F., Murphy, Damien Martin

, Murugesu, Muralee and Whittlesey, Michael K. 2013. Synthesis, electronic structure, and magnetism of [Ni(6-Mes)2]+: a two-coordinate nickel(I) complex stabilized by bulky N-heterocyclic carbenes. Journal of the American Chemical Society 135 (37) , pp. 13640-13643. 10.1021/ja407004y

Pritchard, James Charles, Piccinini, Marco

, Tiruvalam, Ramchandra, He, Qian

, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Morgan, David John

, Kiely, Christopher John

2013. Effect of heat treatment on Au-Pd catalysts synthesized by sol immobilisation for the direct synthesis of hydrogen peroxide and benzyl alcohol oxidation. Catalysis Science & Technology 3 (2) , pp. 308-317. 10.1039/C2CY20234D

Pritchard, Victoria E., Thorp-Greenwood, Flora Lottie, Balasingham, Rebeca, Williams, Catrin Ffion

, Hallett, Andrew Jon and Coogan, Michael Peter 2013. Simple Polyphenyl Zirconium and Hafnium Metallocene Room-Temperature Lumophores for Cell Imaging. Organometallics 32 (12) , pp. 3566-3569. 10.1021/om400212y

Reddington, Samuel C. 2013. Introducing novel protein functionality using unnatural amino acids. PhD Thesis, Cardiff University.
Item availability restricted.

Reddington, Samuel C., Rizkallah, Pierre

, Watson, Peter Duncan

, Pearson, Rachel, Tippmann, Eric Michael and Jones, Darran Dafydd

2013. Different photochemical events of a genetically encoded phenyl azide define and modulate GFP fluorescence. Angewandte Chemie - International Edition 52 (23) , pp. 5974-5977. 10.1002/anie.201301490

Reddington, Samuel C., Watson, Peter Duncan

, Rizkallah, Pierre

, Tippmann, Eric Michael and Jones, Darran Dafydd

2013. Genetically encoding phenyl azide chemistry: new uses and ideas for classical biochemistry. Biochemical Society Transactions 41 (5) , pp. 1177-1182. 10.1042/BST20130094

Robinson, James Baden and Knowles, Peter James

2013. Rigorously extensive orbital-invariant renormalized perturbative triples corrections from quasi-variational coupled cluster theory. Journal of Chemical Physics 138 (7) , 074104. 10.1063/1.4791636

Roldan, A., Santos Carballal, David

2013. A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4. Journal of Chemical Physics 138 (20) , 204712. 10.1063/1.4807614

Rose, Marcus, Thenert, Katharina, Pfützenreuter, Rebecca and Palkovits, Regina 2013. Heterogeneously catalysed production of isosorbide tert-butyl ethers. Catalysis Science and Technology 3 (4) , pp. 938-941. 10.1039/c3cy20752h

Rowley, Julian H., Yau, Sze Chak, Kariuki, Benson

, Kennedy, Alan R. and Tomkinson, Nicholas C. O. 2013. Readily accessible chiral at nitrogen cage structures. Organic & Biomolecular Chemistry 11 (13) , pp. 2198-2205. 10.1039/c3ob27458f

Ruiz-Pernia, J. Javier, Luk, Louis Yu Pan

, Garcia-Meseguer, Rafael, Martí, Sergio, Loveridge, Edric Joel, Tuñón, Iñaki, Moliner, Vicent and Allemann, Rudolf Konrad

2013. Increased dynamic effects in a catalytically compromised variant of Escherichia coli dihydrofolate reductase. Journal of the American Chemical Society 135 (49) , pp. 18689-18696. 10.1021/ja410519h

Ryabenkova, Yulia, He, Qian

, Miedziak, Peter John, Dummer, Nicholas

, Carley, Albert Frederick, Morgan, David John

, Dimitratos, Nikolaos

, Bethell, Donald, Knight, David William, Chadwick, David, Kiely, Christopher John

2013. The selective oxidation of 1,2-propanediol to lactic acid using mild conditions and gold-based nanoparticulate catalysts. Catalysis Today 203 , pp. 139-145. 10.1016/j.cattod.2012.05.037

Saad, Fawaz A., Knight, James Christopher, Kariuki, Benson

and Amoroso, Angelo James

2013. Co-ordinative properties of a tripodal trisamide ligand with a capped octahedral preference. Dalton Transactions 42 (41) , pp. 14826-14835. 10.1039/c3dt51791h

Sagirli, Akin, Dürüst, Yasar, Kariuki, Benson

and Knight, David William 2013. A practical isocyanide-based multicomponent synthesis of polysubstituted cyclopentenes. Tetrahedron 69 (1) , pp. 69-72. 10.1016/j.tet.2012.10.065

Sahu, S., Widger, L. R., Quesne, Matthew, De Visser, S. P., Matsumura, H., Moenne-Loccoz, P., Siegler, M. A. and Goldberg, D. P. 2013. Secondary coordination sphere influence on the reactivity of nonheme iron(II) complexes: an experimental and DFT approach. Journal of the American Chemical Society 135 (29) , pp. 10590-10593. 10.1021/ja402688t

Salvia, Marie-Virginie, Addison, Fiona, Alniss, Hasan Y., Buurma, Niklaas Jan

, Khalaf, Abedawn I., Mackay, Simon P., Anthony, Nahoum G., Suckling, Colin J., Evstigneev, Maxim P., Santiago, Adrián Hernandez, Waigh, Roger D. and Parkinson, John A. 2013. Thiazotropsin aggregation and its relationship to molecular recognition in the DNA minor groove. Biophysical Chemistry 179 , pp. 1-11. 10.1016/j.bpc.2013.04.001

Sampford, Katharine R. 2013. Novel expanded ring N-heterocyclic carbenes; coordination and application in catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Santos Carballal, David

, Suardíaz, Reynier, Crespo-Otero, Rachel, González, Leandro and Pérez, Carlos S. 2013. Conformational and NMR study of some furan derivatives by DFT methods. Journal of Molecular Modeling 19 (10) , pp. 4591-4601. 10.1007/s00894-013-1964-z

Scanlon, David O., Dunnill, Charles W., Buckeridge, John, Shevlin, Stephen A., Logsdail, Andrew J., Woodley, Scott M., Catlow, Charles Richard

, Powell, Michael. J., Palgrave, Robert G., Parkin, Ivan P., Watson, Graeme W., Keal, Thomas W., Sherwood, Paul, Walsh, Aron and Sokol, Alexey A. 2013. Band alignment of rutile and anatase TiO2. Nature Materials 12 (9) , pp. 798-801. 10.1038/nmat3697

Scanlon, David O., Regoutz, Anna, Egdell, Russell G., Morgan, David John

and Watson, Graeme W. 2013. Band gap engineering of In2O3 by alloying with Tl2O3. Applied Physics Letters 103 (26) , 262108. 10.1063/1.4860986

Schröder, Christian A., Baburin, Igor A., van Wüllen, Leo, Wiebcke, Michael and Leoni, Stefano

2013. Subtle polymorphism of zinc imidazolate frameworks: temperature-dependent ground states in the energy landscape revealed by experiment and theory. Crystengcomm 15 (20) , pp. 4036-4040. 10.1039/c2ce26045j

Selli, Daniele, Baburin, Igor A., Martonák, Roman and Leoni, Stefano

2013. Novel metastable metallic and semiconducting germaniums. Scientific Reports 3 , 1466. 10.1038/srep01466

Sellick, David Richard, Aranda, Asunción, García, Tomas, López, José M., Solsona, Benjamín, Mastral, Ana M., Morgan, David John

, Hughes, Colan Evan, Harris, Kenneth David Maclean

2013. Influence of the preparation method on the activity of ceria zirconia mixed oxides for naphthalene total oxidation. Applied Catalysis B: Environmental 132 , pp. 98-106. 10.1016/j.apcatb.2012.11.036

Shang, Meng, Wang, Wenzhong, Sun, Songmei, Gao, Erping, Zhang, Zhijie, Zhang, Ling and O'Hayre, Ryan 2013. The design and realization of a large-area flexible nanofiber-based mat for pollutant degradation: an application in photocatalysis. Nanoscale 5 (11) , p. 5036. 10.1039/c3nr00503h

Shankar, S. Shiva, Benke, Sushil N., Nagendra, Narem, Srivastava, Prabhakar Lal

, Thulasiram, Hirekodathakallu V. and Gopi, Hosahudya N. 2013. Self-assembly to function: design, synthesis, and broad spectrum antimicrobial properties of short hybrid E-vinylogous lipopeptides. Journal of Medicinal Chemistry 56 (21) , pp. 8468-8474. 10.1021/jm400884w

Sharma, Monika, Sharma, Pankaj

and Kim, Jong Nam 2013. Solvent extraction of aromatic components from petroleum derived fuels: a perspective review. RSC Advances 3 (26) , pp. 10103-10126. 10.1039/c3ra00145h

Sharma, Pankaj

, Sharma, Monika and Tomar, Radha 2013. Na-HEU zeolite synthesis for the removal of Th(IV) and Eu(III) from aqueous waste by batch process. Journal of the Taiwan Institute of Chemical Engineers 44 (3) , pp. 480-488. 10.1016/j.jtice.2012.12.009

Sharma, Pankaj

, Yeo, Jeong-gu, Han, Moon Hee and Cho, Churl Hee 2013. Knobby surfaced, mesoporous, single-phase GIS-NaP1 zeolite microsphere synthesis and characterization for H2 gas adsorption. Journal of Materials Chemistry A: materials for energy and sustainability 1 (7) , pp. 2602-2612. 10.1039/c2ta01311h

Sharples, Katherine Mary, Carter, Emma

2013. An ENDOR and DFT analysis of hindered methyl group rotations in frozen solutions of bis(acetylacetonato)-copper(ii). Physical Chemistry Chemical Physics 15 (36) , pp. 15214-15222. 10.1039/c3cp52464g

Shaw, Greg 2013. The direct synthesis of hydrogen peroxide using bimetallic, gold and palladium, supported catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Shirinfar, Bahareh, Ahmed, Nisar

, Park, Yu Shin, Cho, Gun-Sik, Youn, Il Seung, Han, Jin-Kwan, Nam, Hong Gil and Kim, Kwang S. 2013. Selective fluorescent detection of RNA in living cells by using imidazolium-based cyclophane. Journal of the American Chemical Society 135 (1) , pp. 90-93. 10.1021/ja3112274

Singh, Fateh Veer and Wirth, Thomas

2013. Oxidative rearrangements with hypervalent iodine reagents. Synthesis (Stuttgart) 45 (18) , pp. 2499-2511. 10.1055/s-0033-1339679

Smith, Keith, Elliott, Mark Christopher

and Jones, Dyfyr Heulyn 2013. 3-Chloro-1-lithiopropene - a functional organolithium reagent - and its reactions with alkylboronates to give 3-Alkylprop-1-en-3-ols. Journal of Organic Chemistry 78 (18) , pp. 9526-9531. 10.1021/jo4018028

Smith, Tim 2013. Development of new ligand frameworks and complexes for applications in imaging. PhD Thesis, Cardiff University.
Item availability restricted.

Smith, Keith, Alotaibi, Mohammad Hayal H. and El-Hiti, Gamal A. 2013. Highly regioselective dinitration of toluene over reusable zeolite H-beta. Journal of Catalysis 297 (1) , pp. 244-247. 10.1016/j.jcat.2012.10.017

Smith, Keith, El-Hiti, Gamal A. and Alshammari, Mohammed

2013. Variations in site of lithiation of N-[(2-(4-Methoxyphenyl)ethyl)]pivalamide; Use in ring substitution. Synlett 24 (1) , pp. 117-119. 10.1055/s-0032-1317859

Smith, Rebecca A., Stokes, Emily C., Langdon-Jones, Emily Elizabeth, Platts, James Alexis

, Hallett, Andrew Jon and Pope, Simon J. A.

2013. Cyclometalated cinchophen ligands on iridium(iii): towards water-soluble complexes with visible luminescence. Dalton Transactions 42 (28) , pp. 10347-10357. 10.1039/c3dt51098k

Stacey, Oliver J. and Pope, Simon J. A.

2013. New avenues in the design and potential application of metal complexes for photodynamic therapy. RSC Advances 3 (48) , pp. 25550-25564. 10.1039/c3ra45219k

Stark, D. G., Morrill, Louis

, Yeh, P. -P., Slawin, A. M., O’Riordan, T. J. and Smith, A. D. 2013. Isothiourea-catalyzed pyridine synthesis. Synfacts 9 (12) , 1344. 10.1055/s-0033-1340279

Stark, Daniel G., Morrill, Louis

, Yeh, Pei-Pei, Slawin, Alexandra M. Z., O'Riordan, Timothy J. C. and Smith, Andrew D. 2013. Isothiourea-mediated one-pot synthesis of functionalized pyridines. Angewandte Chemie - International Edition 52 (44) , pp. 11642-11646. 10.1002/anie.201306786

Stennett, Tom E., Hey, Thomas W., Ball, Liam T., Flynn, Stephanie R., Radcliffe, James E., McMullin, Claire L., Wingad, Richard L. and Wass, Duncan F.

2013. N,N‐diphospholylamines—A new family of ligands for highly active, chromium‐based, selective ethene oligomerisation catalysts. ChemCatChem 5 (10) , pp. 2946-2954. 10.1002/cctc.201300306

Sun, Songmei, Wang, Wenzhong and Zhang, Ling 2013. Bi2WO6 Quantum Dots Decorated Reduced Graphene Oxide: Improved Charge Separation and Enhanced Photoconversion Efficiency. Journal of Physical Chemistry C 117 (18) , 9113--9120. 10.1021/jp4004592

Sun, Songmei, Wang, Wenzhong, Zhang, Ling, Gao, Erping, Jiang, Dong, Sun, Yongfu and Xie, Yi 2013. Ultrathin {001}-Oriented Bismuth Tungsten Oxide Nanosheets as Highly Efficient Photocatalysts. ChemSusChem 6 (10) , 1873--1877. 10.1002/cssc.201300406

Sun, Yuanyuan, Wang, Wenzhong, Sun, Songmei and Zhang, Ling 2013. A general synthesis strategy for one-dimensional Bi2MO6 (M = Mo, W) photocatalysts using an electrospinning method. CrystEngComm 15 (39) , p. 7959. 10.1039/c3ce41347k

Sun, Yuanyuan, Wang, Wenzhong, Zhang, Ling and Sun, Songmei 2013. The photocatalysis of Bi2MoO6 under the irradiation of blue LED. Materials Research Bulletin 48 (10) , 4357--4361. 10.1016/j.materresbull.2013.07.015

Sun, Yuanyuan, Wang, Wenzhong, Zhang, Ling, Sun, Songmei and Gao, Erping 2013. Magnetic ZnFe2O4 octahedra: Synthesis and visible light induced photocatalytic activities. Materials Letters 98 , 124--127. 10.1016/j.matlet.2013.02.014

Tasan, Semra, Zava, Olivier, Bertrand, Benoit, Bernhard, Claire, Goze, Christine, Picquet, Michel, Le Gendre, Pierre, Harvey, Pierre, Denat, Franck, Casini, Angela

and Bodio, Ewen 2013. BODIPY-phosphane as a versatile tool for easy access to new metal-based theranostics. Dalton Transactions 42 (17) , pp. 6102-6109. 10.1039/C2DT32055J

Taylor, Rupert

2013. Organic molecules, dendrimers and sulfur-based polymers of intrinsic microporosity. PhD Thesis, Cardiff University.
Item availability restricted.

Thakrar, Shailesh, Bavishi, Abhay, Radadiya, Ashish

, Parekh, Shrey, Bhavsar, Dhairya, Vala, Hardevsinh, Pandya, Nilay and Shah, Anamik 2013. Microwave-assisted rapid synthesis of novel 1,5-benzodiazepine derivatives as potent antimicrobial agent. Journal of Heterocyclic chemistry 50 (S1) , E73-E79. 10.1002/jhet.1065

Thangavelu, Sonia G., Andrews, Michael B., Pope, Simon J. A.

and Cahill, Christopher L. 2013. Synthesis, Structures, and Luminescent Properties of Uranyl Terpyridine Aromatic Carboxylate Coordination Polymers. Inorganic Chemistry 52 (4) , pp. 2060-2069. 10.1021/ic3024698

Thomas, Helen R., Day, Stephen P., Woodruff, William E., Valles, Cristina, Young, Robert J., Kinloch, Ian A., Morley, Gavin W., Hanna, John V., Wilson, Neil R. and Rourke, Jonathan P.

2013. Deoxygenation of graphene oxide: reduction or cleaning? Chemistry of Materials 25 (18) , pp. 3580-3588. 10.1021/cm401922e

Thomas, Helen R., Valles, Cristina, Young, Robert J., Kinlock, Ian A., Wilson, Neil R. and Rourke, Jonathan P.

2013. Identifying the fluorescence of graphene oxide. Journal of Materials Chemistry C Materials for optical and electronic devices 1 (2) , pp. 338-342. 10.1039/c2tc00234e

Titos-Padilla, Silvia, Colacio, Enrique, Pope, Simon J. A.

, Delgado, Juan José, Melgosa, Manuel and Herrera, Juan Manuel 2013. Photophysical properties of [Ir(tpy)2]3+-doped silica nanoparticles and synthesis of a colour-tunable material based on an Ir(core)–Eu(shell) derivative. Journal of Materials Chemistry C 1 (24) , pp. 3808-3815. 10.1039/c3tc30466c

Tobon, Yeny A., Kabalan, Lara, Bonhommeau, Sébastien, Daro, Nathalie, Grosjean, Arnaud, Guionneau, Philippe, Matar, Samir, Létard, Jean-François and Guillaume, François 2013. Spin crossover complexes [Fe(NH2trz)3](X)2·nH2O investigated by means of polarized Raman scattering and DFT calculations. Physical Chemistry Chemical Physics 15 (41) , pp. 18128-18137. 10.1039/c3cp52505h

Tromp, Moniek, Dent, Andrew J., Headspith, Jon, Easun, Timothy

, Sun, Xue-Zhong, George, Michael W., Mathon, Olivier, Smolentsev, Grigory, Hamilton, Michelle L. and Evans, John 2013. Energy dispersive XAFS: Characterization of electronically excited states of copper(I) complexes. Journal of Physical Chemistry B 117 (24) , pp. 7381-7387. 10.1021/jp4020355

Tsai, Yu-Hsuan

, Götze, Sebastian, Vilotijevic, Ivan, Grube, Maurice, Silva, Daniel Varon and Seeberger, Peter H. 2013. A general and convergent synthesis of diverse glycosylphosphatidylinositol glycolipids. Chemical Science 4 (1) , pp. 468-481. 10.1039/C2SC21515B

Valles, Cristina, Kinloch, Ian A., Young, Robert J., Wilson, Neil R. and Rourke, Jonathan P.

2013. Graphene oxide and base-washed graphene oxide as reinforcements in PMMA nanocomposites. Composites Science and Technology 88 , pp. 158-164. 10.1016/j.compscitech.2013.08.030

van der Kamp, Marc W., Sirirak, Jitnapa, Zurek, Jolanta, Allemann, Rudolf Konrad

and Mulholland, Adrian J. 2013. Conformational change and ligand binding in the aristolochene synthase catalytic cycle. Biochemistry 52 (45) , pp. 8094-8105. 10.1021/bi400898k

Varela-Gandía, Francisco J., Berenguer-Murcia, Ángel, Lozano-Castelló, Dolores, Cazorla-Amorós, Diego, Sellick, David Richard and Taylor, Stuart H.

2013. Total oxidation of naphthalene using palladium nanoparticles supported on BETA, ZSM-5, SAPO-5 and alumina powders. Applied Catalysis B: Environmental 129 , pp. 98-105. 10.1016/j.apcatb.2012.08.041

Watts, Kevin 2013. Design and fabrication of an electrochemical microreactor and its use in electroorganic synthesis. PhD Thesis, Cardiff University.
Item availability restricted.

Williams, Philip Andrew, Hughes, Colan Evan, Buanz, Asma B. M., Gaisford, Simon and Harris, Kenneth David Maclean

2013. Expanding the Solid-State Landscape ofl-Phenylalanine: Discovery of Polymorphism and New Hydrate Phases, with Rationalization of Hydration/Dehydration Processes. The Journal of Physical Chemistry C 117 (23) , pp. 12136-12145. 10.1021/jp401547f

Williams, Sophie E., Davies, Philip Rosser

, Bowen, Jenna L.

and Allender, Christopher John 2013. Controlling the nanoscale patterning of AuNPs on silicon surfaces. Nanomaterials 3 (1) , pp. 192-203. 10.3390/nano3010192

Wolstencroft, Katherine, Haines, Robert, Fellows, Donal, Williams, Alan, Withers, David, Stuart, Owen, Soiland-Reys, Stian, Dunlop, Ian, Nenadic, Aleksandra, Fisher, Paul, Bhagat, Jiten, Belhajjame, Khalid, Bacall, Finn, Hardisty, Alex

, Nieva De Hidalga, Abraham

, Balcazar Vargas, Maria, Surfi, Shoaib and Goble, Carole 2013. The Taverna workflow suite: designing and executing workflows of Web Services on the desktop, web or in the cloud. Nucleic Acids Research 41 (W1) , W557-W561. 10.1093/nar/gkt328

Woodall, Christopher H., Beavers, Christine M., Christensen, Jeppe, Hatcher, Lauren E.

, Intissar, Mourad, Parlett, Andrew, Teat, Simon J., Reber, Christian and Raithby, Paul R. 2013. Hingeless negative linear compression in the mechanochromic gold complex [(C6F5Au)2(μ‐1,4‐diisocyanobenzene)]. Angewandte Chemie International Edition 52 (37) 10.1002/anie.201302825

Woodford, Julia Jane 2013. Hierarchical nanoporous solid base catalysts for biodiesel synthesis. PhD Thesis, Cardiff University.
Item availability restricted.

Wysoczanski, Piotr, Mart, Robert J.

, Loveridge, Edric Joel, Williams, Christopher, Whittaker, Sara B.-M., Crump, Matthew P. and Allemann, Rudolf Konrad

2013. 1H, 13C and 15N chemical shift assignments of unliganded Bcl-xL and its complex with a photoresponsive Bak-derived peptide. Biomolecular NMR Assignments 7 (2) , pp. 187-191. 10.1007/s12104-012-9407-9

Yan, Yuncheng, Hughes, Colan Evan, Kariuki, Benson

2013. A rare case of polymorphism in a three-component co-crystal system, with each polymorph having ten independent molecules in the asymmetric unit. Crystal Growth and Design 13 (1) , pp. 27-30. 10.1021/cg3016035

Yeh, S.-Y., Harris, Kenneth David Maclean

and Jupp, P. E. 2013. A drifting Markov process on the circle, with physical applications. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 469 (2156) , 20130092. 10.1098/rspa.2013.0092

Zhang, Ling, Wang, Wenzhong, Sun, Songmei, Jiang, Dong and Gao, Erping 2013. Solar light photocatalysis using Bi2O3/Bi2SiO5 nanoheterostructures formed in mesoporous SiO2 microspheres. CrystEngComm 15 (46) , pp. 10043-10048. 10.1039/c3ce41433g

Zhang, Ling, Wang, Wenzhong, Sun, Songmei, Sun, Yuanyuan, Gao, Erping and Xu, Jie 2013. Water splitting from dye wastewater: A case study of BiOCl/copper(II) phthalocyanine composite photocatalyst. Applied Catalysis B: Environmental 132-13 , 315--320. 10.1016/j.apcatb.2012.12.003

Zhang, Qiang, Li, Chunyi, Xu, Shaojun, Shan, Honghong and Yang, Chaohe 2013. Synthesis of a ZSM-5(core)/SAPO-5(shell) composite and its application in FCC. Journal of Porous Materials 20 (1) , 171–176. 10.1007/s10934-012-9586-x

2012

Ab Rahim, Mohd Hasbi, He, Qian

, Lopez-Sanchez, Jose Antonio, Hammond, Ceri

, Dimitratos, Nikolaos

, Carley, Albert Frederick, Kiely, Christopher John

, Knight, David William and Hutchings, Graham John

2012. Gold, palladium and gold-palladium supported nanoparticles for the synthesis of glycerol carbonate from glycerol and urea. Catalysis Science & Technology 2 (9) , pp. 1914-1924. 10.1039/C2CY20288C

Abdel-Megeed, Mohamed F., Badr, Badr E., Azaam, Mohamed A. and El-Hiti, Gamal A. 2012. Synthesis, antimicrobial and anticancer activities of a novel series of diphenyl 1-(pyridin-3-yl)ethylphosphonates. Bioorganic and Medicinal Chemistry 20 (7) , pp. 2252-2258. 10.1016/j.bmc.2012.02.015

Abdel-Megeed, Mohamed F., Badr, Badr E., Azaam, Mohamed M. and El-Hiti, Gamal A. 2012. Antimicrobial activities of a series of diphenyl (4'-(aryldiazenyl)biphenyl-4-ylamino)(pyridin-3-yl)methylphosphonates. Phosphorus, Sulfur, and Silicon and the Related Elements 187 (10) , pp. 1202-1207. 10.1080/10426507.2012.680084

Abdel-Megeed, Mohamed F., Badr, Badr E., Azaam, Mohamed M. and El-Hiti, Gamal A. 2012. Synthesis and Antimicrobial Activities of Novel Series of Heterocyclic α-Aminophosphonates. Archiv der Pharmazie 345 (10) , pp. 784-789. 10.1002/ardp.201200109

Abdel-Megeed, Mohamed F., Badr, E., Azaam, Mohamed M. and El-Hiti, Gamal A. 2012. Synthesis and antimicrobial activities of diphenyl (arylamino)(1-phenyl-3-(pyridin-2-yl)-1H-pyrazol-4-yl)methylphosphonates. Phosphorus Sulfur and Silicon and the Related Elements 187 (12) , pp. 1462-1468. 10.1080/10426507.2012.690117

Acerbi, Nadia, Golunski, Stanislaw E.

, Tsang, Shik Chi, Daly, Helen, Hardacre, Chris, Smith, Richard and Collier, Paul 2012. Promotion of ceria catalysts by precious metals: changes in nature of the interaction under reducing and oxidizing conditions. The Journal of Physical Chemistry C 116 (25) , pp. 13569-13583. 10.1021/jp212233u

Adams, Christopher John, Bedford, Robin B., Carter, Emma

, Gower, Nicholas J., Haddow, Mairi F., Harvey, Jeremy N., Huwe, Michael, Cartes, M. Angeles, Mansell, Stephen M., Mendoza, Carla, Murphy, Damien Martin

, Neeve, Emily C. and Nunn, Joshua 2012. Iron(I) in Negishi cross-coupling reactions. Journal of the American Chemical Society 134 (25) , pp. 10333-10336. 10.1021/ja303250t

Adams, Sarah Elizabeth, Parr, Christian, Miller, David James, Allemann, Rudolf Konrad

and Hallett, Maurice Bartlett

2012. Potent inhibition of Ca2+-dependent activation of calpain-1 by novel mercaptoacrylates. MedChemComm 3 (5) , pp. 566-570. 10.1039/c2md00280a

Ahmed, Mujib 2012. An electrochemical study of well-defined nafion coated platinum and platinum-bimetallic electrodes. PhD Thesis, Cardiff University.
Item availability restricted.

Ahmed, Nisar

, Shirinfar, Bahareh, Youn, Il Seung, Bist, Amita, Suresh, Vangaru and Kim, Kwang S. 2012. A highly selective fluorescent chemosensor for guanosine-5?-triphosphate via excimer formation in aqueous solution of physiological pH. Chemical Communications 48 (21) , pp. 2662-2664. 10.1039/c2cc17145g

Ahmed, Nisar

, Suresh, Vangaru, Shirinfar, Bahareh, Geronimo, Inacrist, Bist, Amita, Hwang, In-Chul and Kim, Kwang S. 2012. Fluorogenic sensing of CH3CO2 and H2PO4 by ditopic receptor through conformational change. Organic & Biomolecular Chemistry 10 (10) , pp. 2094-2100. 10.1039/c2ob06994f

Albonetti, Stefania, Pasini, Thomas, Lolli, Alice, Blosi, Magda, Piccinini, Marco

, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Morgan, David John

and Cavani, Fabrizio 2012. Selective oxidation of 5-hydroxymethyl-2-furfural over TiO2-supported gold-copper catalysts prepared from preformed nanoparticles: Effect of Au/Cu ratio. Catalysis Today 195 (1) , pp. 120-126. 10.1016/j.cattod.2012.05.039

Aldulaijan, Sarah 2012. Theoretical prediction of the interaction between peptides and major histocompatibility Complex II Receptor. PhD Thesis, Cardiff University.
Item availability restricted.

Alhumaimess, Mosaed 2012. Preparation of nano-structured catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Alhumaimess, Mosaed, Lin, Zhonjie, Weng, Weihao, Dimitratos, Nikolaos

, Kiely, Christopher John

2012. Oxidation of Benzyl Alcohol by using Gold Nanoparticles Supported on Ceria Foam. ChemSusChem 5 (1) , pp. 125-131. 10.1002/cssc.201100374

Alshammari, Mohammed

2012. Use of organometallic intermediates in organic synthesis. PhD Thesis, Cardiff University.
Item availability restricted.

Althagafi, Ismail 2012. Structural variation in π-conjugated DNA binders through click chemistry: synthesis and interaction studies. PhD Thesis, Cardiff University.
Item availability restricted.

Aranda, Asunció, Agouram, Said, López, Jose M., Mastral, Ana M., Sellick, David Richard, Solsona, Benjamín, Taylor, Stuart H.

and García, Tomás 2012. Oxygen defects: The key parameter controlling the activity and selectivity of mesoporous copper-doped ceria for the total oxidation of naphthalene. Applied Catalysis B: Environmental 127 , pp. 77-88. 10.1016/j.apcatb.2012.07.033

Aranda, Asunción, Aylón, Elvira, Solsona, Benjamin Espriu, Murillo, Ramón, Mastral, Ana María, Sellick, David Richard, Agouram, Said, García, Tomás and Taylor, Stuart H.

2012. High activity mesoporous copper doped cerium oxide catalysts for the total oxidation of polyaromatic hydrocarbon pollutants. Chemical Communications 48 (39) , pp. 4704-4706. 10.1039/c2cc31206a

Aros Orellana, Danilo Fernando, Gonzalez, Veronica, Allemann, Rudolf Konrad

, Müller, Carsten Theodor

, Rosati, Carlo and Rogers, Hilary Joan

2012. Volatile emissions of scented Alstroemeria genotypes are dominated by terpenes, and a myrcene synthase gene is highly expressed in scented Alstroemeria flowers. Journal of Experimental Botany 63 (7) , pp. 2739-2752. 10.1093/jxb/err456

Attard, Gary Anthony, Casadesus, Meritxell, Macaskie, Lynne E. and Deplanche, Kevin 2012. Biosynthesis of Platinum Nanoparticles by Escherichia coli MC4100: Can Such Nanoparticles Exhibit Intrinsic Surface Enantioselectivity? Langmuir 28 (11) , pp. 5267-5274. 10.1021/la204495z

Audiger, Logan Eric, Watts, Kevin, Elmore, Simon C., Robinson, Richard I. and Wirth, Thomas

2012. Ritter reactions in flow. ChemSusChem 5 (2) , pp. 257-260. 10.1002/cssc.201100372

Bai, X., Stein, B. K., Smith, Keith and Isaac, D. H. 2012. Effects of Reprocessing on Additives in ABS Plastics, Detected by Gas Chromatography/Mass Spectrometry. Progress in Rubber, Plastics and Recycling Technology 28 (1) , pp. 1-14.

Bajwa, Somia E., Storr, Thomas E., Hatcher, Lauren E.

, Williams, Thomas J., Baumann, Christoph G., Whitwood, Adrian C., Allan, David R., Teat, Simon J., Raithby, Paul R. and Fairlamb, Ian J. S. 2012. On the appearance of nitrite anion in [PdX(OAc)L2] and [Pd(X)(C^N)L] syntheses (X = OAc or NO2): photocrystallographic identification of metastable Pd(η1-ONO)(C^N)PPh3. Chemical Science 3 (5) 10.1039/c2sc01050j

Baker, Robert J., Colavita, Paula E., Murphy, Deirdre M., Platts, James Alexis

and Wallis, John D. 2012. Fluorine-fluorine interactions in the solid state: an experimental and theoretical Study. The Journal of Physical Chemistry A 116 (5) , pp. 1435-1444. 10.1021/jp2099976

Balakit, Asim Alaa Abdalhussein 2012. Synthesis and applications of new poly(alkylene sulfide)s. PhD Thesis, Cardiff University.
Item availability restricted.

Balasingham, Rebeca Glory 2012. Novel multi-metallic luminescent complexes towards dual-functional cellular and therapeutic applications. PhD Thesis, Cardiff University.
Item availability restricted.

Balasingham, Rebeca Glory, Thorp-Greenwood, Flora Lottie, Williams, Catrin Ffion

, Coogan, Michael Peter and Pope, Simon J. A.

2012. Biologically compatible, phosphorescent dimetallic rhenium complexes linked through functionalized alkyl chains: syntheses, spectroscopic properties, and applications in imaging microscopy. Inorganic Chemistry 51 (3) , pp. 1419-1426. 10.1021/ic201654d

Balasingham, Rebeca, Williams, Catrin Ffion

, Mottram, Huw James, Coogan, Michael Peter and Pope, Simon J. A.

2012. Gold(I) complexes derived from alkynyloxy-substituted anthraquinones: Syntheses, luminescence, preliminary cytotoxicity, and cell imaging studies. Organometallics 31 (16) , pp. 5835-5843. 10.1021/om300475y

University College Cardiff Consultants Ltd 2012. Catalyst, method of manufacture and use thereof. Patent WO 2012035737. [Patent].

Bartley, Jonathan Keith

, Xu, Chunli

, Lloyd, Rhys, Enache, Dan I., Knight, David William and Hutchings, Graham John

2012. Simple method to synthesize high surface area magnesium oxide and its use as a heterogeneous base catalyst. Applied Catalysis B: Environmental 128 , pp. 31-38. 10.1016/j.apcatb.2012.03.036

Beames, Joseph M.

, Liu, Fang, Lu, Lu and Lester, Marsha I. 2012. Ultraviolet spectrum and photochemistry of the simplest Criegee intermediate CH2OO. Journal of the American Chemical Society 134 (49) , pp. 20045-20048. 10.1021/ja310603j

Bennett, J. A., Attard, Gary Anthony, Deplanche, K., Casadesus, Meritxell, Huxter, Sharon Elizabeth, Macaskie, L. E. and Wood, J. 2012. Improving selectivity in 2-butyne-1,4-diol hydrogenation using biogenic Pt catalysts. ACS Catalysis 2 (4) , pp. 504-511. 10.1021/cs200572z

Bennett, Nicholas J., Elliott, Mark Christopher

, Hewitt, Natalie L., Kariuki, Benson

, Morton, Clare A., Raw, Steven A. and Tomasi, Simone 2012. Diastereoselective alkylation reactions of 1-methylcyclohexa-2,5-diene-1-carboxylic acid. Organic and Biomolecular Chemistry 10 (19) , pp. 3859-3865. 10.1039/c2ob25211b

Berezin, Andrey A., Constantinides, Christos P., Drouza, Chryssoula, Manoli, Maria and Koutentis, Panayiotis A. 2012. From Blatter Radical to 7-Substituted 1,3-Diphenyl-1,4-dihydrothiazolo[5′,4′:4,5]benzo[1,2-e][1,2,4]triazin-4-yls: Toward Multifunctional Materials. Organic Letters 14 (21) , pp. 5586-5589. 10.1021/ol302714j

Bezzu, Caterina Grazia, Carta, Mariolino

, Tonkins, Alexander, Jansen, Johannes C., Bernardo, Paola, Bazzarelli, Fabio and McKeown, Neil B. 2012. A spirobifluorene-based polymer of intrinsic microporosity with improved performance for gas separation. Advanced Materials 24 (44) , pp. 5930-5933. 10.1002/adma.201202393

Bhardwaj, Deepesh, Sharma, Monika, Sharma, Pankaj

and Tomar, Radha 2012. Synthesis and surfactant modification of clinoptilolite and montmorillonite for the removal of nitrate and preparation of slow release nitrogen fertilizer. Journal of Hazardous Materials 227-22 , pp. 292-300. 10.1016/j.jhazmat.2012.05.058

Bist, Amita, Cho, Seung Joo and Ahmed, Nisar

2012. A simple pyrene-based highly sensitive turn-on fluorescent chemodosimeter for Hg2+. Journal of Inclusion Phenomena and Macrocyclic Chemistry 77 (1-4) , p. 75. 10.1007/s10847-012-0218-5

Blackburn, G. M., Bowler, M. W., Jin, Yi

and Waltho, J. P. 2012. Reflections on biocatalysis involving phosphorus. Biochemistry (Moscow) 77 (10) , pp. 1083-1096. 10.1134/S000629791210001X

Borisevich, O., Demange, D., Simplício, M., Pera-Titus, M. and Nicolas, C.H. 2012. [P1.026] Experimental study of binary mixture permeation of hydrogen and helium in canocomposite MFI-alumina membrane for tritium processes. Presented at: Euromembrane Conference 2012, London, England, 23-27 September 2012. Procedia Engineering. , vol.44 Elsevier, pp. 727-729. 10.1016/j.proeng.2012.08.548

Boulfelfel, Salah Eddine, Oganov, Artem R. and Leoni, Stefano

2012. Understanding the nature of 'superhard graphite'. Scientific Reports 2 , 471. 10.1038/srep00471

Bowen, Jenna L.

, Kelly, Marc A., Gumbleton, Mark

and Allender, Christopher John 2012. A simple zero length surface-modification approach for preparing novel bifunctional supports for co-immobilisation studies. Tetrahedron Letters 53 (29) , pp. 3727-3730. 10.1016/j.tetlet.2012.04.116

Bracey, Charlotte Louise 2012. An investigation into the structure and activity of monometallic and bimetallic copper and gold catalysts for propene oxidation. PhD Thesis, Cardiff University.
Item availability restricted.

Braddick, Lucy M., Garland, Patrick J., Praeger, Matthew F., Butement, Jonathan, Friedrich, Daniel, Morgan, David John

and Melvin, Tracy 2012. Uniform aligned bioconjugation of biomolecule motifs for integration within microfabricated microfluidic devices. Analytical Biochemistry 424 (2) , pp. 195-205. 10.1016/j.ab.2012.02.020

Brayshaw, Simon K., Easun, Timothy

, George, Michael W., Griffin, Alexandra M. E., Johnson, Andrew L., Raithby, Paul R., Savarese, Teresa L., Schiffers, Stefanie, Warren, John E., Warren, Mark R. and Teat, Simon J. 2012. Photocrystallographic identification of metastable nitrito linkage isomers in a series of nickel(II) complexes. Dalton Transactions 41 (1) , pp. 90-97. 10.1039/c1dt11379h

Brett, Gemma Louise 2012. The selective oxidation of bioderived molecules by gold catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Brett, Gemma Louise, Miedziak, Peter John, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Dummer, Nicholas

, Tiruvalam, Ramchandra, Kiely, Christopher John

, Knight, David William, Taylor, Stuart H.

, Carley, Albert Frederick and Hutchings, Graham John

2012. Oxidative esterification of 1,2-propanediol using gold and gold-palladium supported nanoparticles. Catalysis Science & Technology 2 (1) , pp. 97-104. 10.1039/c1cy00254f

Browne, Duncan L.

, Wright, Steven, Deadman, Benjamin J., Dunnage, Samantha, Baxendale, Ian R., Turner, Richard M. and Ley, Steven V. 2012. Continuous flow reaction monitoring using an on-line miniature mass spectrometer. Rapid Communications in Mass Spectrometry 26 (17) , pp. 1999-2010. 10.1002/rcm.6312

Butters, Michael, Elliott, Mark Christopher

and Hill-Cousins, Joseph T. 2012. An unexpected Prins desymmetrisation reaction driven by silyl migration. Arkivoc Online Journal of Organic Chemistry 2012 (7) , pp. 113-125.

Buurma, Niklaas Jan

2012. Reactivity in organised assemblies. Annual Reports Section "B" (Organic Chemistry) 108 , pp. 316-333. 10.1039/c2oc90021a

Carta, Mariolino

, Helliwell, Madeleine and McKeown, Neil B. 2012. Crystal structures of a series of 1,1-Spiro-bis(1,2,3,4-tetrahydronaphthalene)-based derivatives. Journal of Chemical Crystallography 42 (2) , pp. 111-118. 10.1007/s10870-011-0211-7

Cascón, Oscar, Touchet, Sabrina, Miller, David James, Gonzalez, Veronica, Faraldos, Juan A. and Allemann, Rudolf Konrad

2012. Chemoenzymatic preparation of germacrene analogues. Chemical Communications 48 (78) , pp. 9702-9704. 10.1039/c2cc35542f

Casini, Angela

2012. Exploring the mechanisms of metalbased pharmacological agents via an integrated approach. Journal of Inorganic Biochemistry 109 , pp. 97-106. 10.1016/j.jinorgbio.2011.12.007

Casini, Angela

and Reedijk, Jan 2012. Interactions of anticancer Pt compounds with proteins: An overlooked topic in medicinal inorganic chemistry? Chemical Science 3 (11) , pp. 3135-3144. 10.1039/C2SC20627G

Catto, Marco, Berezin, Andrey A., Lo Re, Daniele, Loizou, Georgia, Demetriades, Marina, De Stradis, Angelo, Campagna, Francesco, Koutentis, Panayiotis A. and Carotti, Angelo 2012. Design, synthesis and biological evaluation of benzo[e][1,2,4]triazin-7(1H)-one and [1,2,4]-triazino[5,6,1-jk]carbazol-6-one derivatives as dual inhibitors of beta-amyloid aggregation and acetyl/butyryl cholinesterase. European Journal of Medicinal Chemistry 58 , pp. 84-97. 10.1016/j.ejmech.2012.10.003

Chantry, Ruth L., Siriwatcharapiboon, Wilai, Horswell, Sarah L., Logsdail, Andrew

, Johnston, Roy L. and Li, Z. Y. 2012. Overgrowth of rhodium on gold nanorods. Journal of Physical Chemistry C 116 (18) , pp. 10312-10317. 10.1021/jp212432g

Cioran, Ana M., Musteti, Ana D., Teixidor, Francesc, Krpetic, Zeljka, Prior, Ian A., He, Qian

, Kiely, Christopher John

, Brust, Mathias and Viñas, Clara 2012. Mercaptocarborane-capped gold nanoparticles: electron pools and ion traps with switchable hydrophilicity. Journal of the American Chemical Society 134 (1) , pp. 212-221. 10.1021/ja203367h

Clauzier, Stephanie, Ho, Linh Ngoc, Pera-Titus, Marc, Coasne, Benoit and Farrusseng, David 2012. Enhanced H2 uptake in solvents confined in mesoporous metal-organic framework. Journal of the American Chemical Society 134 (42) , pp. 17369-17371. 10.1021/ja308157a

Colombo, J. S., Carley, Albert Frederick, Fleming, G. J., Crean, S. J., Sloan, Alastair James

and Waddington, Rachel Jane

2012. Osteogenic potential of bone marrow stromal cells on smooth, roughened, and tricalcium phosphate-modified titanium alloy surfaces. Internation Journal of Oral and Maxillofacial Implants 27 (5) , pp. 1029-1042.

Conte, Marco, Liu, Xi, Murphy, Damien Martin

, Whiston, Keith and Hutchings, Graham John

2012. Cyclohexane oxidation using Au/MgO: an investigation of the reaction mechanism. Physical Chemistry Chemical Physics 14 (47) , pp. 16279-16285. 10.1039/c2cp43363j

Conte, Marco, Xu, Bin, Davies, Thomas Edward, Bartley, Jonathan Keith

, Khalid, Kharim and Hutchings, Graham John

2012. Enhanced selectivity to propene in the methanol to hydrocarbons reaction by use of ZSM-5/11 intergrowth zeolite. Microporous and Mesoporous Materials 164 , pp. 207-213. 10.1016/j.micromeso.2012.05.001

Conte, Marco, Lopez-Sanchez, Jose Antonio, He, Qian

, Ryabenkova, Yulia, Bartley, Jonathan Keith

, Kiely, Christopher John

, Khalid, Karim and Hutchings, Graham John

2012. Modified zeolite ZSM-5 for the methanol to aromatics reaction. Catalysis Science & Technology 2 (1) , pp. 105-112. 10.1039/c1cy00299f

Courvoisier, Emilie, Williams, Philip Andrew, Lim, Gin Keat, Hughes, Colan Evan and Harris, Kenneth David Maclean

2012. The crystal structure of l-arginine. Chemical Communications 48 (22) , pp. 2761-2763. 10.1039/c2cc17203h

Cox, Nicola M., Harding, Lindsay P., Jones, Jennifer Elizabeth, Pope, Simon J. A.

, Rice, Craig R. and Adams, Harry 2012. Probing solution behaviour of metallosupramolecular complexes using pyrene fluorescence. Dalton Transactions 41 (5) , pp. 1568-1573. 10.1039/c1dt11831e

Cranwell, Philippa B., O'Brien, Matthew, Browne, Duncan L.

, Koos, Peter, Polyzos, Anastasios, Peña-López, Miguel and Ley, Steven V. 2012. Flow synthesis using gaseous ammonia in a Teflon AF-2400 tube-in-tube reactor: Paal–Knorr pyrrole formation and gas concentration measurement by inline flow titration. Organic & Biomolecular Chemistry 10 (30) , pp. 5774-5779. 10.1039/c2ob25407g

Crosby, Sarah H., Clarkson, Guy J. and Rourke, Jonathan P.

2012. Relieving steric strain a octahedral platinum(IV): isomerization and reductive coupling of alkyl and aryl chlorides. Organometallics 31 (20) , pp. 7256-7263. 10.1021/om3008019

Crosby, Sarah H., Thomas, Helen R., Clarkson, Guy J. and Rourke, Jonathan P.

2012. Concerted reductive coupling of an alkyl chloride at Pt(IV). Chemical Communications 48 (46) , pp. 5775-5777. 10.1039/c2cc31572f

Cummings, Charles Y., Attard, Gary Anthony, Mitchels, John M. and Marken, Frank 2012. Surface State Trapping and Mobility Revealed by Junction Electrochemistry of Nano-Cr2O3. Australian Journal of Chemistry 65 (1) , pp. 65-71. 10.1071/CH11382

Dacquin, Jean-Philippe

, Lee, Adam Fraser, Pirez, Cyril and Wilson, Karen 2012. Pore-expanded SBA-15 sulfonic acid silicas for biodiesel synthesis. Chemical Communications 48 (2) , pp. 212-214. 10.1039/c1cc14563k

Daramwar, Pankaj P., Srivastava, Prabhakar Lal

, Priyadarshini, Balaraman and Thulasiram, Hirekodathakallu V. 2012. Preparative separation of α- and β-santalenes and (Z)-α- and (Z)-β-santalols using silver nitrate-impregnated silica gel medium pressure liquid chromatography and analysis of sandalwood oil. Analyst 137 (19) , pp. 4564-4570. 10.1039/c2an35575b

Debatin, Franziska, Behrens, Karsten, Weber, Jens, Baburin, Igor A., Thomas, Arne, Schmidt, Johannes, Senkovska, Irena, Kaskel, Stefan, Kelling, Alexandra, Hedin, Niklas, Bacsik, Zoltan, Leoni, Stefano

, Seifert, Gotthard, Jäger, Christian, Günter, Christina, Schilde, Uwe, Friedrich, Alwin and Holdt, Hans-Jürgen 2012. An isoreticular family of microporous metal-organic frameworks based on zinc and 2-substituted imidazolate-4-amide-5-imidate: syntheses, structures and properties. Chemistry - a European Journal 18 (37) , pp. 11630-11640. 10.1002/chem.201200889

Defaut, Benedicte, Parsons, Thomas B., Spencer, Neil, Male, Louise, Kariuki, Benson

and Grainger, Richard S. 2012. Synthesis of the trans-hydrindane core of dictyoxetane. Organic & Biomolecular Chemistry 10 (25) , pp. 4926-4932. 10.1039/c2ob25384d

Deplanche, K., Merroun, M. L., Casadesus, Meritxell, Tran, D. T., Mikheenko, I. P., Bennett, J. A., Zhu, J., Jones, I. P., Attard, Gary Anthony, Wood, J., Selenska-Pobell, S. and Macaskie, L. 2012. Microbial synthesis of core/shell gold/palladium nanoparticles for applications in green chemistry. Journal of the Royal Society, Interface 9 (72) , pp. 1705-1712. 10.1098/rsif.2012.0003

Di Tommaso, Devis, Ruiz Hernandez, Sergio

, Du, Zheimei and de Leeuw, Nora

2012. Density functional theory and interatomic potential study of structural, mechanical and surface properties of calcium oxalate materials. RSC Advances 2 (11) , pp. 4664-4674. 10.1039/c2ra00832g

Dimitratos, Nikolaos

, Kiely, Christopher John

2012. Gold catalysis: helping create a sustainable future. Applied Petrochemical Research 2 (1-2) , pp. 7-14. 10.1007/s13203-012-0011-9

Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio and Hutchings, Graham John

2012. Selective liquid phase oxidation with supported metal nanoparticles. Chemical Science 3 (1) , pp. 20-44. 10.1039/c1sc00524c

Dingwall, L. D., Lee, Adam Fraser, Lynam, J. M., Wilson, Karen, Olivi, L., Deeley, J. M. S., Gaemers, S. and Sunley, G. J. 2012. Bifunctional Organorhodium Solid Acid Catalysts for Methanol Carbonylation. ACS Catalysis 2 (7) , pp. 1368-1376. 10.1021/cs3000528

Dunford, Damian G., Chaudhry, Faryal, Kariuki, Benson

, Knight, David William and Wheeler, Robert C. 2012. On the regiochemistry of Mitsunobu alkylations of hydrazine derivatives. Tetrahedron Letters 53 (51) , pp. 7006-7009. 10.1016/j.tetlet.2012.10.084

Dunsford, Jay James, Cavell, Kingsley John and Kariuki, Benson

2012. Gold(I) complexes bearing sterically imposing, saturated six- and seven-membered expanded ring N-heterocyclic carbene ligands. Organometallics 31 (11) , pp. 4118-4121. 10.1021/om300351s

Edwards, Jennifer Kelly

, Pritchard, James Charles, Piccinini, Marco

, Shaw, Greg, He, Qian

, Carley, Albert Frederick, Kiely, Christopher John

2012. The effect of heat treatment on the performance and structure of carbon-supported Au-Pd catalysts for the direct synthesis of hydrogen peroxide. Journal of Catalysis 292 , pp. 227-238. 10.1016/j.jcat.2012.05.018

El-Betany, Alaa M. M. and McKeown, Neil B. 2012. The synthesis and fluorescence properties of macromolecular components based on 1,8-naphthalimide derivatives and dimers. Tetrahedron Letters 53 (7) , pp. 808-810. 10.1016/j.tetlet.2011.12.009

El-Hiti, Gamal A. 2012. A tribute to Professor Keith Smith: commemorative issue in honor of Professor K. Smith on the occasion of his 65th anniversary. Arkivoc Online Journal of Organic Chemistry (vii) , pp. 1-11.

El-Hiti, Gamal A., Hegazy, Amany S., Alotaibi, Mohammad Hayal and Ajarim, Mansour D. 2012. Reactions of organolithium reagents with quinazoline derivatives. Arkivoc Online Journal of Organic Chemistry Vii , pp. 35-78.

El-Hiti, Gamal, Smith, Keith and Alshammari, Mohammed

2012. Lithiation and Substitution of N′-(ω-Phenylalkyl)-N,N-dimethylureas. Synthesis (Stuttgart) 44 (3) , pp. 2013-2022. 10.1055/s-0031-1291008

Fan, Xiaobing, Dummer, Nicholas

2012. Preparation of vanadium phosphate catalyst precursors for the selective oxidation of butane using α,ω-alkanediols. Catalysis Today 183 (1) , pp. 52-57. 10.1016/j.cattod.2011.08.030

Faraldos, Juan A., Gonzalez, Veronica and Allemann, Rudolf Konrad

2012. The role of aristolochene synthase in diphosphate activation. Chemical Communications- Royal Society of Chemistry 48 (26) , pp. 3230-3232. 10.1039/c2cc17588f

Faraldos, Juan A., Gonzalez, Veronica, Li, Amang, Yu, Fanglei, Köksal, Mustafa, Christianson, David W. and Allemann, Rudolf Konrad

2012. Probing the mechanism of 1,4-conjugate elimination reactions catalyzed by terpene synthases. Journal of the American Chemical Society 134 (51) , pp. 20844-20848. 10.1021/ja311022s

Faraldos, Juan A., Miller, David James, Gonzalez, Veronica, Yoosuf-Aly, Fathima Zulfa, Cascón, Oscar, Li, Amang and Allemann, Rudolf Konrad

2012. A 1,6-ring closure mechanism for (+)-δ-cadinene synthase? Journal of the American Chemical Society 134 (13) , pp. 5900-5908. 10.1021/ja211820p

Farid, Umar and Wirth, Thomas

2012. Highly stereoselective metal-free oxyaminations using chiral hypervalent iodine reagents. Angewandte Chemie. International Edition 51 (14) , pp. 3462-3465. 10.1002/anie.201107703

Farid, Umar and Wirth, Thomas

2012. Innenrücktitelbild: stereoselektive metallfreie oxyaminierungen mit chiralen hypervalenten iodreagentien (Angew. Chem. 14/2012). Angewandte Chemie 124 (14) , p. 3549. 10.1002/ange.201201230

Farid, Umar and Wirth, Thomas

2012. Inside back cover: highly stereoselective metal-free oxyaminations using chiral hypervalent iodine reagents (Angew. Chem. Int. Ed. 14/2012). Angewandte Chemie - International Edition 51 (14) , p. 3491. 10.1002/anie.201201230

Farid, Umar and Wirth, Thomas

2012. 5,6,7,8-Tetrafluoro-1-hydroxy-1-oxobenziodoxol-3(1H)one (Tetrafluoro-IBX). e-EROS: Encyclopedia of Reagents for Organic Synthesis , rn01489. 10.1002/047084289X.rn01489

Folli, Andrea

, Pade, Claus, Hansen, Tommy Bæk, De Marco, Tiziana and Macphee, Donald E. 2012. TiO2 photocatalysis in cementitious systems: Insights into self-cleaning and depollution chemistry. Cement and Concrete Research 42 (3) , pp. 539-548. 10.1016/j.cemconres.2011.12.001

Forde, Michael M., Bezzu, C.Grazia, Armstrong, Robert, Jenkins, Robert Leyshon, Ab Rahim, Mohd Hasbi, Carley, Albert Frederick, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Taylor, Stuart H.

, McKeown, Neil B. and Hutchings, Graham John

2012. Methane oxidation using silica-supported N-bridged di-iron phthalocyanine catalyst. Journal of Catalysis 290 , pp. 177-185. 10.1016/j.jcat.2012.03.013

Freakley, Simon James 2012. Investigations into the direct synthesis of hydrogen peroxide and CO oxidation using precious metal catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Fujii, Syuji, Matsuzawa, Soichiro, Hamasaki, Hiroyuki, Nakamura, Yoshinobu, Bouleghlimat, Azzedine and Buurma, Niklaas Jan

2012. Polypyrrole-palladium nanocomposite coating of micrometer-sized polymer particles toward a recyclable catalyst. Langmuir 28 (5) , pp. 2436-2447. 10.1021/la204324f

Fusillo, Vincenzo 2012. New insights into scale up processing and C-S bond formation reactions. PhD Thesis, Cardiff University.
Item availability restricted.

Futera, Zdenek, Platts, James Alexis

and Burda, Jaroslav V. 2012. Binding of piano-stool Ru(II) complexes to DNA; QM/MM study. Journal of Computational Chemistry 33 (26) , pp. 2092-2101. 10.1002/jcc.23045

Gabriele, Elena

, Singh, Fateh Veer, Freudendahl, Diana Maria and Wirth, Thomas

2012. Selenenylations of alkenes with styrene nucleophiles. Tetrahedron 68 (51) , pp. 10573-10576. 10.1016/j.tet.2012.08.034

Gamermann, D., Montagud, A., Aparicio Sanchez, Pablo

, Navarro, E., Triana, J., Villatoro, F. R., Urchueguía, J. F. and Fernández de Córdoba, P. 2012. A Modular Synthetic Device to Calibrate Promoters. Journal of Biological Systems 20 (1) , pp. 37-55. 10.1142/S0218339012500015

Gaskell, Christine V. 2012. Tailored metal nanoparticles for selective catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Gill, S. S., Chatha, G. S., Tsolakis, A., Golunski, Stanislaw E.

and York, A. P. E. 2012. Assessing the effects of partially decarbonising a diesel engine by co-fuelling with dissociated ammonia. International Journal of Hydrogen Energy 37 (7) , pp. 6074-6083. 10.1016/j.ijhydene.2011.12.137

Giménez, Vanessa, James, Craig, Armiñán, Ana, Schweins, Ralf, Paul, Alison

and Vicent, María J. 2012. Demonstrating the importance of polymer-conjugate conformation in solution on its therapeutic output: Diethylstilbestrol (DES)-polyacetals as prostate cancer treatment. Journal of Controlled Release 159 (2) , pp. 290-301. 10.1016/j.jconrel.2011.12.035

Gkionis, Konstantinos and Platts, James Alexis

2012. QM/MM studies of cisplatin complexes with DNA dimer and octamer. Computational and Theoretical Chemistry 993 , pp. 60-65. 10.1016/j.comptc.2012.05.034

Gonzalez, L. E., Quesne, Matthew, Kumar, D., Goldberg, D. P. and De visser, S. P. 2012. Axial and equatorial ligand effects on biomimetic cysteine dioxygenase model complexes. Organic & Biomolecular Chemistry 10 (28) , pp. 5401-5409. 10.1039/c2ob25406a

Gridley, Benjamin M., Blake, Alexander J., Davis, Adrienne L., Lewis, William, Moxey, Graeme J. and Kays, Deborah L.

2012. Low-coordinate cobalt(ii) terphenyl complexes: precursors to sterically encumbered ketone. Chemical Communications 48 (71) , pp. 8910-8912. 10.1039/C2CC34525K

Griffith, Darren M., Bíró, Linda, Platts, James Alexis

, Müller-Bunz, Helge, Farkas, Etelka and Buglyó, Péter 2012. Synthesis and solution behaviour of stable mono-, di- and trinuclear Pd(II) complexes of 2,5-pyridinedihydroxamic acid: X-ray crystal structure of a novel Pd(II) hydroxamato complex. Inorganica Chimica Acta 380 , pp. 291-300. 10.1016/j.ica.2011.09.050

Hadi Mosleh, Mojgan, Thomas, Hywel Rhys

, Turner, Matthew, Vardon, Philip James, Sedighi, Majid and Tripathy, Snehasis

2012. Gas transport and reaction processes in problematic soils. Presented at: 4th International Conference on Problematic Soils (PS12), Wuhan, China, 21-23 September 2012. Published in: Kong, L. W. ed. Proceedings of the 4th International Conference on Problematic Soils. Singapore: Chinese Academy of Sciences, pp. 227-233.

Haider, Muhammad, Dummer, Nicholas

, Zhang, Dazhi, Miedziak, Peter John, Davies, Thomas Edward, Taylor, Stuart H.

, Knight, David William, Chadwick, David and Hutchings, Graham John

2012. Rubidium- and caesium-doped silicotungstic acid catalysts supported on alumina for the catalytic dehydration of glycerol to acrolein. Journal of Catalysis 286 , pp. 206-213. 10.1016/j.jcat.2011.11.004

Hall, Simon R., Collins, Andrew M., Wood, Natalie J., Ogasawara, Wataru, Morad, Moataz, Miedziak, Peter John, Meenakshisundaram, Sankar

, Knight, David William and Hutchings, Graham John

2012. Biotemplated synthesis of catalytic Au-Pd nanoparticles. RSC Advances 2 (6) , pp. 2217-2220. 10.1039/c2ra01336c

Hallett, Andrew Jon and Pope, Simon J.A.

2012. First examples of luminescent zinc(II)-bisquinoxalinato complexes: synthesis, spectroscopic and theoretical studies. Inorganica Chimica Acta 387 , pp. 145-150. 10.1016/j.ica.2012.01.008

Hallett, Andrew Jon, White, Nathan, Wu, Wanhua, Cui, Xiaoneng, Horton, Peter N., Coles, Simon J., Zhao, Jianzhang and Pope, Simon J. A.

2012. Enhanced photooxidation sensitizers: the first examples of cyclometalated pyrene complexes of iridium(iii). Chemical Communications 48 (88) , pp. 10838-10840. 10.1039/c2cc35907c

Hammond, Ceri

, Forde, Michael M., Ab Rahim, Mohd Hasbi, Thetford, Adam, He, Qian

, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Dummer, Nicholas

, Stangland, Eric E., Kang, Joo, Hagen, Henk, Kiely, Christopher John

2012. Direct catalytic conversion of methane to methanol in an aqueous medium by using copper-promoted Fe-ZSM-5. Angewandte Chemie - International Edition 51 (21) , pp. 5129-5133. 10.1002/anie.201108706

Hammond, Ceri

, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Ab Rahim, Mohd Hasbi, Forde, Michael M., Thetford, Adam, Murphy, Damien Martin

, Hagen, Henk, Stangland, Eric E., Moulijn, Jacob, Taylor, Stuart H.

2012. Cover Picture: Catalytic and mechanistic insights of the low-temperature selective oxidation of methane over Cu-promoted Fe-ZSM-5 (Chem. Eur. J. 49/2012). Chemistry - A European Journal 18 (49) , p. 15557. 10.1002/chem.201290208

Hammond, Ceri

, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Ab Rahim, Mohd Hasbi, Forde, Michael M., Thetford, Adam, Murphy, Damien Martin

, Hagen, Henk, Stangland, Eric E., Moulijn, Jacob, Taylor, Stuart H.

2012. Catalytic and mechanistic insights of the low-temperature selective oxidation of methane over Cu-promoted Fe-ZSM-5. Chemistry - a European Journal 18 (49) , pp. 15735-15745. 10.1002/chem.201202802

Hammond, Ceri

, Conrad, Sabrina and Hermans, Ive 2012. Oxidative methane upgrading. ChemSusChem 5 (9) , pp. 1668-1686. 10.1002/cssc.201200299

Hammond, Ceri

, Conrad, Sabrina and Hermans, Ive 2012. Back Cover: Simple and scalable preparation of highly active Lewis acidic Sn-? (Angew. Chem. Int. Ed. 47/2012). Angewandte Chemie - International Edition 51 (47) , p. 11906. 10.1002/anie.201208116

Hammond, Ceri

, Conrad, Sabrina and Hermans, Ive 2012. Einfache und skalierbare Synthese von hochaktivem Lewis-saurem Sn-β. Angewandte Chemie 124 (47) , pp. 11906-11909. 10.1002/ange.201206193

Hammond, Ceri

, Conrad, Sabrina and Hermans, Ive 2012. Rücktitelbild: Einfache und skalierbare Synthese von hochaktivem Lewis-saurem Sn-β (Angew. Chem. 47/2012). Angewandte Chemie 124 (47) , p. 12076. 10.1002/ange.201208116

Hammond, Ceri

, Conrad, Sabrina and Hermans, Ive 2012. Simple and scalable preparation of highly active Lewis acidic Sn-beta. Angewandte Chemie - International Edition 51 (47) , pp. 11736-11739. 10.1002/anie.201206193

Harris, Kenneth David Maclean

2012. Powder diffraction crystallography of molecular solids. Rissanen, Kari, ed. Advanced x-ray crystallography, Topics in Current Chemistry, vol. 315. Berlin: Springer, pp. 133-177. (10.1007/128_2011_251)

Harris, Kenneth David Maclean

, Palmer, Benjamin A. and Edwards-Gau, Gregory R. 2012. Reactions in solid-state inclusion compounds. Gale, Philip A. and Steed, Jonathan W., eds. Supramolecular Chemistry: From Molecules to Nanomaterials, Vol. 4. Oxford: Wiley, pp. 1589-1612. (10.1002/9780470661345.smc164)

Hatherley, Jessica 2012. On the synthesis of N-O bonds in novel heterocyclic systems. PhD Thesis, Cardiff University.
Item availability restricted.

Heiles, Sven, Logsdail, Andrew

, Schäfer, Rolf and Johnston, Roy L. 2012. Dopant-induced 2D-3D transition in small Au-containing clusters: DFT-global optimisation of 8-atom Au-Ag nanoalloys. Nanoscale 4 (4) , pp. 1109-1115. 10.1039/C1NR11053E

Henderson, Laura, Knight, David William and Williams, Andrew C. 2012. An alternative strategy to the Pictet-Spengler method for tetrahydroisoquinoline synthesis: a feasibility study. Tetrahedron Letters 53 (35) , pp. 4657-4660. 10.1016/j.tetlet.2012.06.091

Hill, Steven 2012. The synthesis of bicyclic guanidino amino acids. PhD Thesis, Cardiff University.
Item availability restricted.

Holden, Daniel, Jelfs, Kim E., Cooper, Andrew I., Trewin, Abbie and Willock, David James

2012. Bespoke force field for simulating the molecular dynamics of porous organic cages. Journal of Physical Chemistry. C 116 (31) , pp. 16639-16651. 10.1021/jp305129w

Hossain, G. M. Golzar and Amoroso, Angelo James

2012. Bis[4-amino-N-(pyrimidin-2-yl-kappaN)benzenesulfonamidato-kappaN](4,4'-dimethyl-2,2'-bipyridine-kappa2N,N')cadmium dimethylformamide disolvate. Acta Crystallographica Section E Structure Reports Online 68 (3) , m276-m277. 10.1107/S1600536812004412

Hughes, Stephen 2012. Polyazamacrocycles as potential Positron Emission Tomography (PET) agents. PhD Thesis, Cardiff University.
Item availability restricted.

Hughes, Colan Evan, Williams, Philip Andrew, Peskett, Thomas Roper and Harris, Kenneth David Maclean

2012. Exploiting in situ solid-state NMR for the discovery of new polymorphs during crystallization processes. The Journal of Physical Chemistry Letters 3 (21) , pp. 3176-3181. 10.1021/jz301252u

Saudi Basic Industries Corporation 2012. Carbon supported cobalt and molybdenum catalyst. WO 2012143131 A1. [Patent].

James, Stuart L., Adams, Christopher J., Bolm, Carsten, Braga, Dario, Collier, Paul, Friscic, Tomislav, Grepioni, Fabrizia, Harris, Kenneth David Maclean

, Hyett, Geoff, Jones, William, Krebs, Anke, Mack, James, Maini, Lucia, Orpen, A. Guy, Parkin, Ivan P., Shearouse, William C., Steed, Jonathan W. and Waddell, Daniel C. 2012. Mechanochemistry: opportunities for new and cleaner synthesis. Chemical Society Reviews 41 (1) , pp. 413-447. 10.1039/c1cs15171a

Jarvis, A. G., Sparkes, H. A., Tallentire, S. E., Hatcher, L. E.

, Warren, M. R., Raithby, P. R., Allan, D. R., Whitwood, A. C., Cockett, M. C. R., Duckett, S. B., Clark, J. L. and Fairlamb, I. J. S. 2012. Photochemical-mediated solid-state [2+2]-cycloaddition reactions of an unsymmetrical dibenzylidene acetone (monothiophos-dba). CrystEngComm 14 (17) 10.1039/c2ce25480h

Jin, Yi

, Cliff, Matthew J., Baxter, Nicola J., Dannatt, Hugh R. W., Hounslow, Andrea M., Bowler, Matthew W., Blackburn, G. Michael and Waltho, Jonathan P. 2012. Charge-balanced metal fluoride complexes for protein kinase A with adenosine diphosphate and substrate peptide SP20. Angewandte Chemie - International Edition 51 (49) , pp. 12242-12245. 10.1002/anie.201204266

Jin, Guojie, Weng, Weihao, Lin, Zhongjie, Dummer, Nicholas

, Kiely, Christopher John

2012. Fe2(MoO4)3/MoO3 nano-structured catalysts for the oxidation of methanol to formaldehyde. Journal of Catalysis 296 , pp. 56-64. 10.1016/j.jcat.2012.09.001

Joannesse, Caroline, Johnston, Craig P., Morrill, Louis

, Woods, Philip A., Kieffer, Madeleine, Nigst, Tobias A., Mayr, Herbert, Lebl, Tomas, Philp, Douglas, Bragg, Ryan A. and Smith, Andrew D. 2012. Isothiourea-mediated asymmetric O- to C-carboxyl transfer of oxazolyl carbonates: structure-selectivity profiles and mechanistic studies. Chemistry - a European Journal 18 (8) , pp. 2398-2408. 10.1002/chem.201102847

Jones, Jennifer Elizabeth, Jenkins, Robert Leyshon, Hicks, Robin S., Hallett, Andrew Jon and Pope, Simon J. A.

2012. Water-soluble, luminescent iridium(III)–ytterbium(III) complexes using dipyrido[3,2-a:2′,3′-c]phenazine derivatives as bridging units. Dalton Transactions 41 (34) , pp. 10372-10381. 10.1039/c2dt31115a

Iqbal, Sarwat 2012. Carbon supported cobalt and molybdenum catalyst. WO 2012143131 A1 20121026. [Patent].

Kassab, Hodna, Maksoud, Mahmoud, Aguado, Sonia, Pera-Titus, Marc, Albela, Belén and Bonneviot, Laurent 2012. Polyethylenimine covalently grafted on mesostructured porous silica for CO2 capture. RSC Advances 2 (6) , pp. 2508-2516. 10.1039/c2ra01007k

Ke, Jie, Bartlett, Philip N., Cook, David, Easun, Timothy

, George, Michael W., Levason, William, Reid, Gillian, Smith, David, Su, Wenta and Zhang, Wenjian 2012. Electrodeposition of germanium from supercritical fluids. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 14 (4) , pp. 1517-1528. 10.1039/c1cp22555c

Knight, David William and Smith, Andrew William T. 2012. Optimized syntheses of the furan fatty acids F5 and F6 featuring convertion of a β-iodofuran into a β-methylfuran in a single operation. Heterocycles 84 (1) , pp. 361-369. 10.3987/COM-11-S(P)63

Knowles, Peter James

and Robinson, James Baden 2012. Application of the quasi-variational coupled cluster method to the nonlinear optical properties of model hydrogen systems. The Journal of Chemical Physics 137 (5) , 054301. 10.1063/1.4738758

Komeda, Seiji and Casini, Angela

2012. Next-generation anticancer metallodrugs. Current Topics in Medicinal Chemistry 12 (3) , pp. 219-235. 10.2174/156802612799078964

Kondrat, Simon A., Shaw, Greg, Freakley, Simon J., He, Qian

, Hampton, Joanna, Edwards, Jennifer Kelly

, Miedziak, Peter John, Davies, Thomas Edward, Carley, Albert Frederick, Taylor, Stuart H.

, Kiely, Christopher John

2012. Physical mixing of metal acetates: a simple, scalable method to produce active chloride free bimetallic catalysts. Chemical Science 3 (10) , pp. 2965-2971. 10.1039/c2sc20450a

Koos, Peter, Browne, Duncan L.

and Ley, Steven V. 2012. Continuous stream processing: a prototype magnetic field induced flow mixer. Green Processing and Synthesis 1 (1) , pp. 11-18. 10.1515/greenps-2011-0501

Kotionova, Tatyana, Lee, Christopher, Miedziak, Peter John, Dummer, Nicholas

, Carley, Albert Frederick, Morgan, David John

, Knight, David William, Taylor, Stuart H.

2012. Oxidative Esterification of Homologous 1,3-Propanediols. Catalysis Letters 142 (9) , pp. 1114-1120. 10.1007/s10562-012-0872-7

Kubicki, James D., Aryanpour, Masoud, Kabalan, L. and Zhu, Q. 2012. Quantum mechanical calculations on FeOH nanoparticles. Geoderma 189-19 , pp. 236-242. 10.1016/j.geoderma.2012.05.016

Kubicki, James D., Paul, Kristian W., Kabalan, Lara, Zhu, Qing, Mrozik, Michael K., Aryanpour, Masoud, Pierre-Louis, Andro-Marc and Strongin, Daniel R. 2012. ATR-FTIR and density functional theory study of the structures, energetics, and vibrational spectra of phosphate adsorbed onto goethite. Langmuir 28 (41) , 14573–14587. 10.1021/la303111a

Kumari, Niraj, Ward, Benjamin David

, Kar, Sanjib and Mishra, Lallan 2012. Reactivity of nitrilotriacetic acid with polypyridyl protected as well as naked copper(II) nitrate. Polyhedron 33 (1) , pp. 425-434. 10.1016/j.poly.2011.12.009

Lau, C. S., Allen, D., Tsolakis, A., Golunski, Stanislaw E.

and Wyszynski, M. L. 2012. Biogas upgrade to syngas through thermochemical recovery using exhaust gas reforming. Biomass and Bioenergy 40 , pp. 86-95. 10.1016/j.biombioe.2012.02.004

Leach, Andrew G., Pilling, Elizabeth A., Rabow, Alfred A., Tomasi, Simone, Asaad, Nabil, Buurma, Niklaas Jan

, Ballard, Andrew and Narduolo, Stefania 2012. Enantiomeric pairs reveal that key medicinal chemistry parameters vary more than simple physical property based models can explain. MedChemComm 3 (5) , pp. 528-540. 10.1039/c2md20010d

Lee, Adam Fraser 2012. Active site elucidation in heterogeneous catalysis via in in-situ x-ray spectroscopies. Australian Journal of Chemistry 65 (6) , pp. 615-623. 10.1071/CH11455

Lescouet, Tristan, Kockrick, Emanuel, Bergeret, Gérard, Pera-Titus, Marc, Aguado, Sonia and Farrusseng, David 2012. Homogeneity of flexible metal–organic frameworks containing mixed linkers. Journal of Materials Chemistry 22 (20) , pp. 10287-10293. 10.1039/c2jm15966j

Less, Robert J., Melen, Rebecca L.

and Wright, Dominic S. 2012. Catalytic versus stoichiometric dehydrocoupling using main group metals. RSC Advances 2 (6) , pp. 2191-2199. 10.1039/c2ra00882c

Ley, Steven, Browne, Duncan L.

, O'Brien, Matthew, Koos, Peter, Cranwell, Philippa and Polyzos, Anastasios 2012. Continuous-flow processing of gaseous ammonia using a teflon AF-2400 tube-in-tube reactor: synthesis of thioureas and in-line titrations. Synlett 23 (09) , pp. 1402-1406. 10.1055/s-0031-1290963

Liu, Dong, Fernández, Yolanda, Ola, Oluwafunmilola, Mackintosh, Sarah, Maroto-Valer, Mercedes, Parlett, Christopher Michael A., Lee, Adam Fraser and Wu, Jeffrey C. S. 2012. On the impact of Cu dispersion on CO2 photoreduction over Cu/TiO2. Catalysis Communications 25 (5) , pp. 78-82. 10.1016/j.catcom.2012.03.025

Lloyd, David

, Coogan, Michael Peter and Pope, Simon J.A.

2012. Novel metal-based luminophores for biological imaging. Geddes, Chris D., ed. Reviews in Fluorescence 2010, Reviews in Fluorescence, vol. 7. New York: Springer, pp. 15-44. (10.1007/978-1-4419-9828-6_2)

Logsdail, Andrew

and Johnston, Roy L. 2012. Interdependence of structure and chemical order in high symmetry (PdAu)N nanoclusters. RSC Advances 2 (13) , pp. 5863-5869. 10.1039/c2ra20309j

Logsdail, Andrew

and Johnston, Roy. L. 2012. Predicting the Optical Properties of Core-Shell and Janus Segregated Au-M Nanoparticles (M = Ag, Pd). Journal of Physical Chemistry C 116 (44) , pp. 23616-23628. 10.1021/jp306000u

Logsdail, Andrew

, Li, Z. Y. and Johnston, Roy L. 2012. Development and optimization of a novel genetic algorithm for identifying nanoclusters from scanning transmission electron microscopy images. Journal of Computational Chemistry 33 (4) , pp. 391-400. 10.1002/jcc.21976

Lopez-Sanchez, Jose Antonio, Conte, Marco, Landon, Phil, Zhou, Wu, Bartley, Jonathan Keith

, Carley, Albert Frederick, Kiely, Christopher John

, Khalid, Karim and Hutchings, Graham John

2012. Reactivity of Ga2O3 Clusters on Zeolite ZSM-5 for the Conversion of Methanol to Aromatics. Catalysis Letters 142 (9) , pp. 1049-1056. 10.1007/s10562-012-0869-2

Loveridge, Edric Joel, Behiry, Enas Mamdouh, Guo, Jian Nan and Allemann, Rudolf Konrad

2012. Evidence that a 'dynamic knockout' in Escherichia coli dihydrofolate reductase does not affect the chemical step of catalysis. Nature Chemistry 4 (4) , pp. 292-297. 10.1038/nchem.1296

Lu, Wei Ye 2012. Synthesis, characterisation and analysis of structurally imposing eight-membered ring heterocyclic carbenes: Salts, free carbenes, metal complexes and catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Ma, Xiaohe, Lim, Gin Keat, Harris, Kenneth David Maclean

, Apperley, David C., Horton, Peter N., Hursthouse, Michael B. and James, Stuart L. 2012. Efficient, scalable, and solvent-free mechanochemical synthesis of the OLED material Alq3(q = 8-Hydroxyquinolinate). Crystal Growth and Design 12 (12) , pp. 5869-5872. 10.1021/cg301291w

Margiotta, Nicola, Marzano, Cristina, Gandin, Valentina, Osella, Domenico, Ravera, Mauro, Gabano, Elisabetta, Platts, James Alexis

, Petruzzella, Emanuele, Hoeschele, James D. and Natile, Giovanni 2012. Revisiting [PtCl2(cis-1,4-DACH)]: an underestimated antitumor drug with potential application to the treatment of oxaliplatin-refractory colorectal cancer. Journal of Medicinal Chemistry 55 (16) , pp. 7182-7192. 10.1021/jm3006838

Marshall, Paul, Jenkins, Robert Leyshon, Clegg, W., Harrington, R. W., Callear, S. K., Coles, S. J., Fallis, Ian Andrew

and Dervisi, Athanasia

2012. Chiral Ag(I) and Pt(II) complexes of ditopic NHC ligands: synthesis, structural and spectroscopic properties. Dalton Transactions 2012 (41) , pp. 12839-12846. 10.1039/C2DT31740K

Mart, Robert J.

, Wysoczanski, Piotr, Kneissl, Sabine, Ricci, Antonio, Brancale, Andrea

2012. Design of photocontrolled RNA-binding peptidomimetics. ChemBioChem 13 (4) , pp. 515-519. 10.1002/cbic.201100800

Martínez-Máñez, Ramón and Wirth, Thomas

2012. Opening up the world of chemistry [Editorial]. ChemistryOpen 1 (1) , p. 4. 10.1002/open.201100009

Martins, Ana Paula, Marrone, Alessandro, Ciancetta, Antonella, Galan Cobo, Ana, Echevarria, Miriam, Moura, Teresa F., Re, Nazzareno, Casini, Angela

and Soveral, Graca 2012. Targeting aquaporin function: potent inhibition of aquaglyceroporin-3 by a gold-based compound. Plos One 7 (5) , e37435. 10.1371/journal.pone.0037435

McGregor, Donna, Burton-Pye, Benjamin P., Mbomekalle, Israel M., Aparicio Sanchez, Pablo

, Romo, Susanna, López, Xavier, Poblet, Josep M. and Francesconi, Lynn C. 2012. 99Tc and Re Incorporated into Metal Oxide Polyoxometalates: Oxidation State Stability Elucidated by Electrochemistry and Theory. Inorganic Chemistry 51 (16) , pp. 9017-9028. 10.1021/ic3011713

McKeown, Neil B. 2012. Polymers of intrinsic microporosity. ISRN Materials Science 2012 , 513986. 10.5402/2012/513986

Meenakshisundaram, Sankar

, Dimitratos, Nikolaos

, Miedziak, Peter John, Wells, Peter P., Kiely, Christopher John

2012. Designing bimetallic catalysts for a green and sustainable future. Chemical Society Reviews 41 (24) , pp. 8099-8139. 10.1039/C2CS35296F

Meenakshisundaram, Sankar

, He, Qian

, Morad, Moataz, Pritchard, James Charles, Freakley, Simon J., Edwards, Jennifer Kelly

, Carley, Albert Frederick, Knight, David William, Kiely, Christopher John

2012. Synthesis of stable ligand-free gold-palladium nanoparticles using a simple excess anion method. ACS Nano 6 (8) , pp. 6600-6613. 10.1021/nn302299e

Melen, Rebecca L.

, Rawson, Jeremy M. and Eisler, Dana J. 2012. Structural studies of copper(II) complexes derived from di-2-pyridyl-ketone, (py)2CO. Polyhedron 47 (1) , pp. 16-23. 10.1016/j.poly.2012.08.009

Messori, Luigi, Cubo, Leticia, Gabbiani, Chiara, Alvarez-Valdes, Amparo, Michelucci, Elena, Pieraccini, Giuseppe, Rios-Luci, Carla, Leon, Leticia G., Padron, Jose M., Navarro-Ranninger, Carmen, Casini, Angela

and Quiroga, Adoracion G. 2012. Reactivity and biological properties of a series of cytotoxic PtI2(amine)(2) complexes, either cis or trans configured. Inorganic Chemistry 51 (3) , pp. 1717-1726. 10.1021/ic202036c

Michael, Daryn Robert, Salter, Rebecca C. and Ramji, Dipak Purshottam

2012. TGF-β inhibits the uptake of modified low density lipoprotein by human macrophages through a Smad-dependent pathway: A dominant role for Smad-2. Biochimica et Biophysica Acta - Molecular Basis of Disease 1822 (10) , pp. 1608-1616. 10.1016/j.bbadis.2012.06.002

Mignon, Pierre, Pera-Titus, Marc and Chermette, Henry 2012. Oxo iron(iv) as an oxidative active intermediate of p-chlorophenol in the Fenton reaction: a DFT study. Physical Chemistry Chemical Physics 14 (11) , pp. 3766-3774. 10.1039/c2cp23231f

Miller, David James and Allemann, Rudolf Konrad

2012. Sesquiterpene synthases: Passive catalysts or active players? Natural Product Reports 29 (1) , pp. 60-71. 10.1039/c1np00060h

Modak, Atanu, Deb, Arghya, Patra, Tuhin, Rana, Sujoy, Maity, Soham and Maiti, Debabrata 2012. A general and efficient aldehyde decarbonylation reaction by using a palladium catalyst. Chemical Communications 48 (35) , pp. 4253-4255. 10.1039/c2cc31144e

Morrill, Louis

, Lebl, Tomas, Slawin, Alexandra M. Z. and Smith, Andrew D. 2012. Catalytic asymmetric α-amination of carboxylic acids using isothioureas. Chemical Science 3 (6) , pp. 2088-2093. 10.1039/c2sc20171b

Morris, Ceri, El-Hiti, Gamal A., Weeks, Ian

, Woodhead, Stuart, Smith, Keith and Kille, Peter

2012. Utilising chemiluminescent methods for 'animal-free' toxicology tests [Abstract]. Toxicology Letters 211 (Supp.) , S104-S105. 10.1016/j.toxlet.2012.03.390

Mostafa, Ehab, Abd-El-Latif, Abd-El-Aziz. A., Ilsley, Richard, Attard, Gary Anthony and Baltruschat, Helmut 2012. Quantitative DEMS study of ethanol oxidation: effect of surface structure and Sn surface modification. Physical Chemistry Chemical Physics 14 (46) , pp. 16115-16129. 10.1039/c2cp42520c

Mullice, Lucy Anne, Mottram, Huw James, Hallett, Andrew Jon and Pope, Simon J. A.

2012. Gold(I) complexes incorporating emissive mercapto-pteridine ligands: Syntheses, X-ray structure, luminescence and preliminary cytotoxic evaluation. European Journal of Inorganic Chemistry 2012 (18) , pp. 3054-3060. 10.1002/ejic.201200147

Newman, Paul David

, Cavell, Kingsley John and Kariuki, Benson

2012. Monovalent chiral-at-copper complexes: halide-controlled diastereoselectivity. Chemical Communications 48 (52) , pp. 6511-6513. 10.1039/c2cc33036a

Newman, Paul David

, Cavell, Kingsley John and Kariuki, Benson

2012. Monovalent chiral-at-copper complexes: halide-controlled diastereoselectivity. Chemical Communications 48 (52) , pp. 6511-6513. 10.1039/c2cc33036a

Newman, Paul David

, Cavell, Kingsley John and Kariuki, Benson

2012. Variable coordination of a chiral diphosphine containing an amidinium/NHC group within its backbone: μ-P,P′, κ2-P,P′ and κ3-P,C,P′ coordination modes. Dalton Transactions 41 (40) , pp. 12395-12407. 10.1039/c2dt31475d

Nguyen, Than Ha, Howard, Sian T., Hanrahan, Jane R., Groundwater, Paul William, Platts, James Alexis

and Hibbs, David E 2012. Experimental and Theoretical Charge Density Distribution in a Host-Guest System: Synthetic Terephthaloyl Receptor Complexed to Adipic Acid. The Journal of Physical Chemistry A 116 (23) , pp. 5618-5628. 10.1021/jp210803m

Nguyen, Thanh Ha, Groundwater, Paul W., Platts, James Alexis

and Hibbs, David E. 2012. Experimental and Theoretical Charge Density Studies of 8-Hydroxyquinoline Cocrystallized with Salicylic Acid. The Journal of Physical Chemistry A 116 (13) , pp. 3420-3427. 10.1021/jp2108076

Nicolas, C. -H. and Pera-Titus, M. 2012. Nanocomposite MFI-alumina hollow fiber membranes: influence of NOx and propane on CO2/N2 separation properties. Industrial & Engineering Chemistry Research 51 (31) , pp. 10451-10461. 10.1021/ie300925m

Nicolas, C.-H. and Pera-Titus, M. 2012. Synthesis and characterisation of nanocomposite Ge-MFI-alumina membranes for CO2/N2 separation from wet flue gases. Microporous and Mesoporous Materials 153 , pp. 254-262. 10.1016/j.micromeso.2011.12.033

Nixon, Tracy D. and Ward, Benjamin David

2012. Calcium amido-bisoxazoline complexes in asymmetric hydroamination/cyclisation catalysis. Chemical Communications 48 (96) , pp. 11790-11792. 10.1039/c2cc37021b

Nowicka, Ewa

2012. Selective oxidation of polynuclear aromatic hydrocarbons. PhD Thesis, Cardiff University.
Item availability restricted.

Ntainjua, Edwin N., Freakley, Simon J. and Hutchings, Graham John

2012. Direct synthesis of hydrogen peroxide using ruthenium catalysts. Topics in Catalysis 55 (11-13) , pp. 718-722. 10.1007/s11244-012-9866-3

Ntainjua, Edwin, Piccinini, Marco

, Freakley, Simon J., Pritchard, James Charles, Edwards, Jennifer Kelly

, Carley, Albert Frederick and Hutchings, Graham John

2012. Direct synthesis of hydrogen peroxide using Au-Pd-exchanged and supported heteropolyacid catalysts at ambient temperature using water as solvent. Green Chemistry 14 (1) , pp. 170-181. 10.1039/c1gc15863e

O'Brien, Matthew, Koos, Peter, Browne, Duncan L.

and Ley, Steven V. 2012. A prototype continuous-flow liquid–liquid extraction system using open-source technology. Organic & Biomolecular Chemistry 10 (35) , pp. 7031-7036. 10.1039/c2ob25912e

O'Donnell, Bridget A., Beames, Joseph

and Lester, Marsha I. 2012. Insights on the CN B-2 Sigma(+)+Ar potential from ultraviolet fluorescence excitation and infrared depletion studies of the CN-Ar complex. The Journal of Chemical Physics 136 (23) , 234303. 10.1063/1.4723694

O'Donnell, Bridget A., Beames, Joseph M.

and Lester, Marsha I. 2012. Experimental characterization of the CN X-2 Sigma(+)+Ar and H-2 potentials via infrared-ultraviolet double resonance spectroscopy. Journal of Chemical Physics 136 (23) , 234304. 10.1063/1.4723696

Owen, Mari Elena, Carter, Emma

, Ward, Benjamin David

2012. Influence of counterions on the structure of bis(oxazoline) copper(II) complexes; an EPR and ENDOR investigation. Dalton Transactions 41 (36) , pp. 11085-11092. 10.1039/C2DT31273E

Palmer, Benjamin Alexander 2012. Structural properties, X-ray birefringence and crystal growth of solid organic inclusion compounds. PhD Thesis, Cardiff University.
Item availability restricted.

Palmer, Benjamin A., Edwards-Gau, Gregory R., Morte Rodenas, Anabel, Kariuki, Benson

, Lim, Gin Keat, Harris, Kenneth David Maclean

, Dolbnya, Igor P. and Collins, Stephen P. 2012. X-ray birefringence: a new strategy for determining molecular orientation in materials. The Journal of Physical Chemistry Letters 3 (21) , pp. 3216-3222. 10.1021/jz3013547

Palmer, Benjamin A., Kariuki, Benson

, Morte-Ródenas, Anabel and Harris, Kenneth Kenneth David Maclean

2012. Structural rationalization of the phase transition behavior in a solid organic inclusion compound: bromocyclohexane/thiourea. Crystal Growth and Design 12 (2) , pp. 577-582. 10.1021/cg201656y

Pandey, Priyanka A., Rochford, Luke A., Keeble, Dean S., Rourke, Jonathan P.

, Jones, TIm S., Beanland, Richard and Wilson, Neil R. 2012. Resolving the nanoscale morphology and crystallographic structure of molecular thin films: F16CuPc on graphene oxide. Chemistry of Materials 24 (7) , pp. 1365-1370. 10.1021/cm300073v

Parlett, Christopher Michael A. 2012. Tuning palladium selective oxidation catalysts via mesoporous supports. PhD Thesis, Cardiff University.
Item availability restricted.

Pera-Titus, M., Fridmann, M., Guilhaume, N. and Fiaty, K. 2012. Modelling nitrate reduction in a flow-through catalytic membrane contactor: Role of pore confining effects on water viscosity. Journal of Membrane Science 401-40 , pp. 204-216. 10.1016/j.memsci.2012.02.003

Pera-Titus, M., Lescouet, T., Aguado, S. and Farrusseng, D. 2012. Quantitative characterization of breathing upon adsorption for a series of amino-functionalized MIL-53. Journal of Physical Chemistry C 116 (17) , pp. 9507-9516. 10.1021/jp2117856

Pera-Titus, Marc and Farrusseng, David 2012. Guest-induced gate opening and breathing phenomena in soft porous crystals: building thermodynamically consistent isotherms. Journal of Physical Chemistry C 116 (2) , pp. 1638-1649. 10.1021/jp210174h

Perea Marín, Raimon 2012. Discovery of new catalysts using supercritical CO2. PhD Thesis, Cardiff University.
Item availability restricted.

Petretto, Giacomo L., Rourke, Jonathan P.

, Maidich, Luca, Stoccoro, Sergio, Cinellu, Maria Agostina, Minghetti, Giovanni, Clarkson, Guy J. and Zucca, Antonio 2012. Heterobimetallic rollover derivatives. Organometallics 31 (8) , pp. 2971-2977. 10.1021/om200660a

Phillips, Nicholas, Rowles, Johnny, Kelly, Michael J., Riddlestone, Ian, Rees, Nicholas H., Dervisi, Athanasia

and Aldridge, Simon 2012. Sterically encumbered iridium Bis(N-heterocyclic carbene) complexes: Air-stable 14-electron cations and facile degenerate C-H activation. Organometallics 31 (23) , pp. 8075-8078. 10.1021/om301060h

Pirez, Cyril, Caderon, Jean-Michel, Dacquin, Jean-Philippe

, Lee, Adam Fraser and Wilson, Karen 2012. Tunable KIT-6 Mesoporous Sulfonic Acid Catalysts for Fatty Acid Esterification. ACS Catalysis 2 (8) , pp. 1607-1614. 10.1021/cs300161a

Platts, James Alexis

, Maarof, Hasmerya, Harris, Kenneth David Maclean

, Lim, Gin Keat and Willock, David James

2012. The effect of intermolecular hydrogen bonding on the planarity of amides. Physical Chemistry Chemical Physics 14 (34) , pp. 11944-11952. 10.1039/c2cp41716b

Platts, James Alexis

, Ravera, Mauro, Gabano, Elisabetta, Sardi, Manuele, Bianco, Sabrina and Osella, Domenico 2012. Solvolysis of a series of cisplatin-like complexes - comparison between DNA-biosensor and conductivity data. European Journal of Inorganic Chemistry 2012 (34) , pp. 5625-5631. 10.1002/ejic.201200677

Pons, A., Casas, Ll., Estop, E., Molins, E., Harris, Kenneth David Maclean

and Xu, Mingcan 2012. A new route to aerogels: monolithic silica cryogels. Journal of Non-Crystalline Solids 358 (3) , pp. 461-469. 10.1016/j.jnoncrysol.2011.10.031

Pradhan, Tapas R.

and Mohapatra, Debendra K. 2012. Total synthesis of amphidinolactone A. Tetrahedron: Asymmetry 23 (9) , pp. 709-715. 10.1016/j.tetasy.2012.04.019

Pradhan, Sivaram, Bartley, Jonathan Keith

, Bethell, Donald, Carley, Albert Frederick, Conte, Marco, Golunski, Stanislaw E.

, House, Matthew P., Jenkins, Robert Leyshon, Lloyd, Rhys and Hutchings, Graham John

2012. Non-lattice surface oxygen species implicated in the catalytic partial oxidation of decane to oxygenated aromatics. Nature Chemistry 4 (2) , pp. 134-139. 10.1038/nchem.1245

Pradhan, Sivaram, Bartley, Jonathan Keith

, Bethell, Donald, Golunski, Stanislaw E.

2012. An attempt at enhancing the regioselective oxidation of decane using catalysis with reverse micelles. Catalysis Letters 142 (3) , pp. 302-307. 10.1007/s10562-011-0728-6

Pradhan, Sivaram, Lloyd, Rhys, Bartley, Jonathan Keith

, Bethell, Donald, Golunski, Stanislaw E.

, Jenkins, Robert Leyshon and Hutchings, Graham John

2012. Multi-functionality of Ga/ZSM-5 catalysts during anaerobic and aerobic aromatisation of n-decane. Chemical Science 3 (10) , pp. 2958-2964. 10.1039/c2sc20683h

Pritchard, James 2012. Preparation and characterisation of gold and palladium based catalysts for the direct synthesis of hydrogen peroxide. PhD Thesis, Cardiff University.
Item availability restricted.

Quesne, Matthew and De visser, S. P. 2012. Regioselectivity of substrate hydroxylation versus halogenation by a nonheme iron(IV)-oxo complex: possibility of rearrangement pathways. Journal of Biological Inorganic Chemistry 17 (6) , pp. 841-852. 10.1007/s00775-012-0901-4

Reddington, Samuel C., Tippmann, Eric Michael and Jones, Darran Dafydd

2012. Residue choice defines efficiency and influence of bioorthogonal protein modification via genetically encoded strain promoted Click chemistry. Chemical Communications 48 (67) , pp. 8419-8421. 10.1039/c2cc31887c

Richards, Victoria J., Gower, Alexandra L., Smith, Jasper E. H. B., Davies, E. Stephen, Lahaye, Dorothée, Slater, Anna G., Lewis, William, Blake, Alexander J., Champness, Neil R. and Kays, Deborah L.

2012. Synthesis and characterisation of BODIPY radical anions. Chemical Communications 48 (12) , pp. 1751-1753. 10.1039/C2CC16047A

Riley, Kevin E., Platts, James Alexis

, Řezáč, Jan, Hobza, Pavel and Hill, J. Grant 2012. Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions. The Journal of Physical Chemistry A 116 (16) , pp. 4159-4169. 10.1021/jp211997b

Robinson, James 2012. Approximate variational coupled cluster theories. PhD Thesis, Cardiff University.
Item availability restricted.

Robinson, James Baden and Knowles, Peter James

2012. Benchmark quasi-variational coupled cluster calculations of multiple bond breaking. Journal of Chemical Theory and Computation 8 (8) , pp. 2653-2660. 10.1021/ct300416b

Robinson, James Baden and Knowles, Peter James

2012. Breaking multiple covalent bonds with Hartree-Fock-based quantum chemistry: quasi-variational coupled cluster theory with perturbative treatment of triple excitations. Physical Chemistry Chemical Physics 14 (19) , pp. 6729-6732. 10.1039/c2cp40698e

Robinson, James Baden and Knowles, Peter James

2012. Quasi-variational coupled cluster theory. Journal of Chemical Physics 136 (5) , 054114. 10.1063/1.3680560

Routledge, Jack D., Hallett, Andrew Jon, Platts, James Alexis

, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A,

2012. Tuning the electronics of phosphorescent, amide-functionalized, cyclometalated IrIII complexes: Syntheses, structures, spectroscopy and theoretical Studies. European Journal of Inorganic Chemistry 2012 (25) , pp. 4065-4075. 10.1002/ejic.201200647

Ruiz Hernandez, Sergio

, Grau-Crespo, Ricardo, Almora-Barrios, Neyvis, Wolthers, Mariëtte, Ruiz-Salvador, A. Rabdel, Fernandez, Nestor and de Leeuw, Nora

2012. Mg/Ca partitioning between aqueous solution and aragonite mineral: a molecular dynamics study. Chemistry - a European Journal 18 (32) , pp. 9828-9833. 10.1002/chem.201200966

Ryabenkova, Yulia, Miedziak, Peter John, Dummer, Nicholas

, Dimitratos, Nikolaos

, Bethell, Donald, Knight, David William and Hutchings, Graham John

2012. The Selective Oxidation of 1,2-Propanediol by Supported Gold-Based Nanoparticulate Catalysts. Topics in Catalysis 55 (19-20) , pp. 1283-1288. 10.1007/s11244-012-9909-9

Sá, Jacinto, Taylor, Sarah Frances Rebecca, Daly, Helen, Goguet, Alexandre, Tiruvalam, Ramchandra, He, Qian

, Kiely, Christopher John

and Hardacre, Christopher 2012. Redispersion of gold supported on oxides. ACS Catalysis 2 (4) , pp. 552-560. 10.1021/cs300074g

Saad, Fawaz, Buurma, Niklaas Jan

, Knight, James Christopher and Kariuki, Benson .

2012. Co-ordination behaviour of a novel bisthiourea tripodal ligand: structural, spectroscopic and electrochemical properties of a series of transition metal complexes. Dalton Transactions 41 (15) , pp. 4608-4617. 10.1039/c2dt11732k

Saiman, Mohd Izham, Brett, Gemma Louise, Tiruvalam, Ramchandra, Forde, Michael M., Sharples, Katherine Mary, Thetford, Adam, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Murphy, Damien Martin

, Bethell, Donald, Willock, David James

, Knight, David Wiliam, Kiely, Christopher John

2012. Involvement of surface-bound radicals in the oxidation of toluene using supported Au-Pd nanoparticles. Angewandte Chemie. International Edition 51 (24) , pp. 5981-5985. 10.1002/anie.201201059

Saiman, Mohd Izham Bin 2012. Heterogeneous gold and palladium based catalysts for solvent-free oxidation of toluene. PhD Thesis, Cardiff University.
Item availability restricted.

Santi, Claudio, Di Lorenzo, Rosalia, Tidei, Caterina, Bagnoli, Luana and Wirth, Thomas

2012. Stereoselective selenium catalyzed dihydroxylation and hydroxymethoxylation of alkenes. Tetrahedron 68 (51) , pp. 10530-10535. 10.1016/j.tet.2012.08.078

Schelkle, Bettina, Mohammed, Ryan S., Coogan, Michael Peter, McMullan, Mark, Gillingham, Emma

, Van Oosterhout, Cock and Cable, Joanne

2012. Parasites pitched against nature: Pitch Lake water protects guppies (Poecilia reticulata) from microbial and gyrodactylid infections. Parasitology 139 (13) , pp. 1772-1779. 10.1017/S0031182012001059

Schlapak, Robert, Danzberger, Jürgen, Armitage, David, Morgan, David

, Ebner, Andreas, Hinterdorfer, Peter, Pollheimer, Philipp, Gruber, Hermann J., Schäffler, Friedrich and Howorka, Stefan 2012. Nanoscale DNA tetrahedra improve biomolecular recognition on patterned surfaces. Small 8 (1) , pp. 89-97. 10.1002/smll.201101576

Schuemperli, Martin T., Hammond, Ceri

and Hermans, Ive 2012. Reactivity of alpha-amino-peroxyl radicals and consequences for amine oxidation chemistry. Physical Chemistry Chemical Physics 14 (31) , pp. 11002-11007. 10.1039/C2CP41306J

Schuemperli, Martin T., Hammond, Ceri

and Hermans, Ive 2012. Developments in the aerobic oxidation of amines. ACS Catalysis 2 (6) , pp. 1108-1117. 10.1021/cs300212q

Schuh, Esther, Pflueger, Carolin, Citta, Anna, Folda, Alessandra, Rigobello, Maria Pia, Bindoli, Alberto, Casini, Angela

and Mohr, Fabian 2012. Gold(I) carbene complexes causing thioredoxin 1 and thioredoxin 2 oxidation as potential anticancer agents. Journal of Medicinal Chemistry 55 (11) , pp. 5518-5528. 10.1021/jm300428v

Serratrice, Maria, Edafe, Fabio, Mendes, Filipa, Scopelliti, Rosario, Zakeeruddin, Shaik Mohammed, Graetzel, Michael, Santos, Isabel, Cinellu, Maria Agostina and Casini, Angela

2012. Cytotoxic gold compounds: synthesis, biological characterization and investigation of their inhibition properties of the zinc finger protein PARP-1. Dalton Transactions 41 (11) , pp. 3287-3293. 10.1039/C2DT11913G

Sharma, Pankaj

, Yeo, Jeong-gu, Han, Moon Hee and Cho, Churl Hee 2012. NaA zeolite cubic crystal formation and deformation: cubes with crystalline core, simultaneous growth of surface and core crystals, and layer-by-layer destruction. RSC Advances 2 (20) , pp. 7809-7823. 10.1039/c2ra20567j

Sharma, Pankaj

, Yeo, Jeong-gu, Kim, Dong Kook and Cho, Churl Hee 2012. Organic additive free synthesis of mesoporous naoncrystalline NaA zeolite using high concentration inorganic precursors. Journal of Materials Chemistry 22 (7) , pp. 2838-2843. 10.1039/c2jm14848j

Shepherd, Helena J., Rosa, Patrick, Fallis, Ian Andrew

, Guionneau, Philippe, Howard, Judith A.K. and Goeta, Andrés E. 2012. Structural origin of the gradual spin transition in a mononuclear iron(II) complex. Journal of Physics and Chemistry of Solids 73 (2) , pp. 193-197. 10.1016/j.jpcs.2011.11.003

Sheppleman, John P., Smizaski, Gregory W., Curotto, E. and Mella, Massimo 2012. An analytical potential energy model for ammonia-H2 from first principle. Chemical Physics Letters 535 , pp. 49-55. 10.1016/j.cplett.2012.03.088

Singh, Fateh V. and Wirth, Thomas

2012. Hypervalent iodine mediated oxidative cyclization of o-hydroxystilbenes into benzo- and naphthofurans. Synthesis (Stuttgart) 44 (08) , pp. 1171-1177. 10.1055/s-0031-1290588

Singh, Fateh Veer, Rehbein, Julia and Wirth, Thomas

2012. Facile oxidative rearrangements using hypervalent iodine reagents. ChemistryOpen 1 (6) , pp. 245-250. 10.1002/open.201200037

Smith, Keith, Balakit, Asim Alaa Abdalhussein and El-Hiti, Gamal A. 2012. Poly(propylene sulfide)-borane: convenient and versatile reagent for organic synthesis. Tetrahedron 68 (38) , pp. 7834-7839. 10.1016/j.tet.2012.07.037

Smith, Andrew W. T. 2012. On the synthesis of furans and furan fatty acids. PhD Thesis, Cardiff University.
Item availability restricted.

University College Cardiff Consultants Ltd 2012. Methods for the nitration of aromatic compounds. WO2012/049513 A1. [Patent].

Smith, Keith, Al-Khalaf, Alaa K. H., El-Hiti, Gamal A. and Pattisson, Samuel David 2012. Highly regioselective di-tert-amylation of naphthalene over reusable H-mordenite zeolite. Green Chemistry 14 (4) , pp. 1103-1110. 10.1039/c2gc16443d

Smith, Keith, El-Hiti, Gamal A. and Alshammari, Mohammed

2012. Variation in the site of lithiation of 2-(2-Methylphenyl)ethanamine derivatives. The Journal of Organic Chemistry 77 (24) , pp. 11210-11215. 10.1021/jo3023445

Smith, Keith, El-Hiti, Gamal A., Fekri, Ahmed and Alshammari, Mohammed

2012. Side-chain lithiation of 2- and 4-substituted pyridines: Synthesis of more complex substituted pyridines. Heterocycles 86 (1) , pp. 391-410. 10.3987/COM-12-S(N)33

Stephen, Emma, Blake, Alexander J., Carter, Emma

, Collison, David, Davies, E. Stephen, Edge, Ruth, Lewis, William, Murphy, Damien Martin

, Wilson, Claire, Gould, Robert O., Holder, Alan J., McMaster, Jonathan and Schröder, Martin 2012. Redox non-innocence of thioether crowns: elucidation of the electronic structure of the mononuclear Pd(III) complexes [Pd([9]aneS3)2]3+and [Pd([18]aneS6)]3+. Inorganic Chemistry 51 (3) , pp. 1450-1461. 10.1021/ic2017006

Stokes, Francesca A., Less, Robert J., Haywood, Joanna, Melen, Rebecca L.

, Thompson, Richard I., Wheatley, Andrew E. H., Wright, Dominic S., Johansson, Adam Johannes and Kloo, Lars 2012. Structure and Bonding of the Manganese(II) Phosphide Complex (t-BuPH2)(η5-Cp)Mn{μ-(t-BuPH)}2Mn(Cp)(t-BuPH2). Organometallics 31 (1) , pp. 23-26. 10.1021/om200381p

Su, Ren, Tiruvalam, Ramchandra, He, Qian

, Dimitratos, Nikolaos

, Kesavan, Lokesh, Hammond, Ceri

, Lopez-Sanchez, Jose Antonio, Bechstein, Ralf, Kiely, Christopher John

and Besenbacher, Flemming 2012. Promotion of phenol photodecomposition over TiO2 using Au, Pd, and Au-Pd nanoparticles. ACS Nano 6 (7) , pp. 6284-6292. 10.1021/nn301718v

Sublet, J., Pera-Titus, M., Guilhaume, N., Farrusseng, D., Schrive, L., Chanaud, P., Siret, B. and Durécu, S. 2012. Technico-economical assessment of MFI-type zeolite membranes for CO2 capture from postcombustion flue gases. AIChE Journal 58 (10) , pp. 3183-3194. 10.1002/aic.12805

Sun, Songmei, Wang, Wenzhong and Zhang, Ling 2012. Efficient Contaminant Removal by Bi2WO6 Films with Nanoleaflike Structures through a Photoelectrocatalytic Process. Journal of Physical Chemistry C 116 (36) , 19413--19418. 10.1021/jp306332x

Sun, Songmei, Wang, Wenzhong and Zhang, Ling 2012. Facile preparation of three-dimensionally ordered macroporous Bi2WO6 with high photocatalytic activity. Journal of Materials Chemistry 22 (36) , p. 19244. 10.1039/c2jm34211a

Sun, Songmei, Wang, Wenzhong, Zhang, Ling and Xu, Jiehui 2012. Bi2WO6/SiO2 photonic crystal film with high photocatalytic activity under visible light irradiation. Applied Catalysis B: Environmental 125 , 144--148. 10.1016/j.apcatb.2012.05.039

Suresh, Vangaru, Ahmed, Nisar

, Youn, Il Seung and Kim, Kwang S. 2012. An imidazolium-based fluorescent clophane for the selective recognition of iodide. Chemistry - An Asian Journal 7 (4) , pp. 658-663. 10.1002/asia.201100941

Suter, James, Groen, Derek, Kabalan, Lara and Coveney, Peter V. 2012. Distributed multiscale simulations of clay-polymer nanocomposites. MRS Online Proceedings Library 1470 , 6–11. 10.1557/opl.2012.1009

Taylor, Marie N., Zhou, Wu, Garcia, Tomas, Solsona, Benjamin, Carley, Albert Frederick, Kiely, Christopher John

2012. Synergy between tungsten and palladium supported on titania for the catalytic total oxidation of propane. Journal of Catalysis 285 (1) , pp. 103-114. 10.1016/j.jcat.2011.09.019

Thakrar, Shailesh, Bavishi, Abhay, Bhavsar, Dhairya, Parekh, Shrey, Vala, Hardev, Radadiya, Ashish

, Parmar, Manisha, Savant, Mahesh and Shah, Anamik 2012. Efficient and rapid synthesis of highly functionalized novel symmetric 1,4-Dihydropyridines using glacial acetic acid as solvent. Synthetic Communications 42 (22) , pp. 3269-3278. 10.1080/00397911.2011.576448

Theodosiou, Alex

2012. A Raman investigation into the effect of temperature on ion-induced damage of graphite. Journal of Nuclear Materials 426 (1-3) , pp. 26-30. 10.1016/j.jnucmat.2012.03.023

Thetford, Adam 2012. DFT modelling of methane oxidation with H2O2 over heterogeneous catalysts. PhD Thesis, Cardiff University.
Item availability restricted.

Thorp-Greenwood, Flora Lottie, Coogan, Michael Peter, Mishra, Lallan, Kumari, Niraj, Rai, Geeta and Saripella, Srikrishna 2012. The importance of cellular localisation of probes: synthesis, photophysical properties, DNA interactions and cellular imaging properties of rhenium dppz complexes with known cellular localisation vectors. New Journal of Chemistry 36 (1) , pp. 64-72. 10.1039/c1nj20662a

Tiruvalam, R., He, Q., Herzing, A. A., Pritchard, James Charles, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Edwards, Jennifer Kelly

and Kiely, Christopher John

2012. Some recent advances in gold-based catalysis facilitated by aberration corrected analytical electron microscopy. Journal of Physics: Conference Series 371 (1) , 012028. 10.1088/1742-6596/371/1/012028

Tran, Gaël, Meier, Robin, Harris, Lawrence, Browne, Duncan L.

and Ley, Steven V. 2012. Synthesis and use of a trifluoromethylated azomethine ylide precursor. Journal of Organic Chemistry 77 (24) , pp. 11071-11078. 10.1021/jo302052m

Tsai, Yu-Hsuan

, Grube, Maurice, Seeberger, Peter H. and Varon Silva, Daniel 2012. Glycosylphosphatidylinositols of protozoan parasites. Trends in Glycoscience and Glycotechnology 24 (140) , pp. 231-243. 10.4052/tigg.24.231

Tsai, Yu-Hsuan

, Liu, Xinyu and Seeberger, Peter H. 2012. Chemical biology of glycosylphosphatidylinositol anchors. Angewandte Chemie - International Edition 51 (46) , pp. 11438-11456. 10.1002/anie.201203912

Van Doorslaer, Sabine and Murphy, Damien Martin

2012. EPR spectroscopy in catalysis. Drescher, Malte, Jeschke, Gunnar and Bordignon, E., eds. EPR Spectroscopy: Applications in Chemistry and Biology, Topics in Current Chemistry, vol. 321. Berlin: Springer, pp. 1-39. (10.1007/978-3-642-28347-5)

Vigliotta, Giovanni, Mella, Massimo, Rega, Damiano and Izzo, Lorella 2012. Modulating antimicrobial activity by synthesis: dendritic copolymers based on nonquaternized 2-(dimethylamino)ethyl methacrylate by Cu-mediated ATRP. Biomacromolecules 13 (3) , pp. 833-841. 10.1021/bm2017349

Vilà, Neus, Aparicio Sanchez, Pablo

, Sécheresse, Francis, Poblet, Josep M., López, Xavier and Mbomekallé, Israël M. 2012. Electrochemical Behavior of α1/α2-[Fe(H2O)P2W17O61]7– Isomers in Solution: Experimental and DFT Studies. Inorganic Chemistry 51 (11) , pp. 6129-6138. 10.1021/ic300090f

Vile, James, Carta, Mariolino

, Bezzu, Caterina Grazia, Dee, James and McKeown, Neil B. 2012. The unexpected formation of a dihydroisobenzofuran derivative from the addition of a Grignard reagent to a 1,3-indanedione. ARKIVOC 2012 (7) 10.3998/ark.5550190.0013.712

Vinck, Evi, Carter, Emma

and Doorslaer, Sabine Van 2012. Observation of an organic acid mediated spin state transition in a Co(II)-Schiff base complex: an EPR, HYSCORE, and DFT study. Inorganic Chemistry 51 (15) , pp. 8014-8024. 10.1021/ic300058p

Walker, Rachel Ann, Wilson, Karen, Lee, Adam Fraser, Woodford, Julia Jane, Grassian, Vicki H., Baltrusaitis, Jonas, Rubasinghege, Gayan, Cibin, Giannantonio and Dent, Andrew 2012. Preservation of York Minster historic limestone by hydrophobic surface coatings. Scientific Reports 2 , 880. 10.1038/srep00880

Wang, Lu, Wang, Wenzhong and Sun, Songmei 2012. A simple template-free synthesis of ultrathin Cu2ZnSnS4 nanosheets for highly stable photocatalytic H2 evolution. Journal of Materials Chemistry 22 (14) , p. 6553. 10.1039/c2jm16515e

Ward, Benjamin David

and Gade, Lutz H. 2012. Rare earth metal oxazoline complexes in asymmetric catalysis. Chemical Communications 48 (86) , pp. 10587-10599. 10.1039/c2cc34997c

Warren, Mark R., Brayshaw, Simon K., Hatcher, Lauren E.

, Johnson, Andrew L., Schiffers, Stefanie, Warren, Anna J., Teat, Simon J., Warren, John E., Woodall, Christopher H. and Raithby, Paul R. 2012. Photoactivated linkage isomerism in single crystals of nickel, palladium and platinum di-nitro complexes – a photocrystallographic investigation. Dalton Transactions 41 (42) 10.1039/c2dt30314k

Werner, Hans-Joachim, Knowles, Peter James

, Knizia, Gerald, Manby, Frederick R. and Schütz, Martin 2012. Molpro: a general-purpose quantum chemistry program package. Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (2) , pp. 242-253. 10.1002/wcms.82

Whiting, Gareth Thomas 2012. Metal phosphate and precious metal catalysts for selective oxidation. PhD Thesis, Cardiff University.
Item availability restricted.

Williams, Philip Andrew, Hughes, Colan Evan and Harris, Kenneth David Maclean

2012. New insights into the preparation of the low-melting polymorph of racemic ibuprofen. Crystal Growth and Design 12 (12) , pp. 5839-5845. 10.1021/cg300599q

Williams, Philip Andrew, Hughes, Colan Evan, Lim, Gin Keat, Kariuki, Benson

2012. Discovery of a New System Exhibiting Abundant Polymorphism: m-Aminobenzoic Acid. Crystal Growth & Design 12 (6) , pp. 3104-3113. 10.1021/cg3003178

Wilson, Karen and Lee, Adam Fraser 2012. Rational design of heterogeneous catalysts for biodiesel synthesis. Catalysis Science and Technology 2 (5) , pp. 884-897. 10.1039/c2cy20038d

Wirth, Thomas

2012. Flow chemistry: enabling technology in drug discovery and process research [Editorial]. ChemSusChem 5 (2) , pp. 215-216. 10.1002/cssc.201200061

Wirth, Thomas

and Farid, Umar 2012. Stereoselective synthesis with hypervalent iodine reagents. Christmann, Mathias and Bräse, Stefan, eds. Asymmetric Synthesis II, Wiley-VCH, pp. 197-203.

Wixey, James S. 2012. Novel calcium complexes applied to intramolecular hydroamination catalysis. PhD Thesis, Cardiff University.
Item availability restricted.

Woodford, Julia Jane, Dacquin, Jean-Philippe

, Wilson, Karen and Lee, Adam Fraser 2012. Better by design: nanoengineered macroporous hydrotalcites for enhanced catalytic biodiesel production. Energy & Environmental Science 5 (3) , pp. 6145-6150. 10.1039/c2ee02837a

Woodward, Simon and Willcox, Darren 2012. Ligated organocuprates: an A-Z routemap of mechanism and application. Innovative Catalysis in Organic Synthesis: Oxidation, Hydrogenation, and CX Bond Forming Reactions , p. 233. 10.1002/9783527646586.ch11

Wragg, Ashley B., Derossi, Sofia, Easun, Timothy

, George, Michael W., Sun, Xue-Zhong, Hartl, Frantisek, Shelton, Alexander H., Meijer, Anthony J. H. M. and Ward, Michael D. 2012. Solvent-dependent modulation of metal-metal electronic interactions in a dinuclear cyanoruthenate complex: a detailed electrochemical, spectroscopic and computational study. Dalton Transactions 41 (34) , pp. 10354-10371. 10.1039/c2dt31001e

Wysoczanski, Piotr, Mart, Robert J.

, Loveridge, Edric Joel, Williams, Christopher, Whittaker, Sara B.-M., Crump, Matthew P. and Allemann, Rudolf Konrad

2012. NMR solution structure of a photoswitchable apoptosis activating Bak peptide bound to Bcl-xL. Journal of the American Chemical Society 134 (18) , pp. 7644-7647. 10.1021/ja302390a

Wysoczanski, Piotr 2012. Structural and biophysical characterization of photoswitchable peptides and their complexes. PhD Thesis, Cardiff University.
Item availability restricted.

Xu, Jiehui, Wang, Wenzhong, Sun, Songmei and Wang, Lu 2012. Enhancing visible-light-induced photocatalytic activity by coupling with wide-band-gap semiconductor: A case study on Bi2WO6/TiO2. Applied Catalysis B: Environmental 111-11 , 126--132. 10.1016/j.apcatb.2011.09.025

Xu, Shaojun, Zhang, Qiang, Feng, Zhaoxuan, Meng, Xiaojing, Zhao, Tongyu, Li, Chunyi, Yang, Chaohe and Shan, Honghong 2012. A high-surface-area silicoaluminophosphate material rich in Brönsted acid sites as a matrix in catalytic cracking. Journal of Natural Gas Chemistry 21 (6) , pp. 685-693. 10.1016/S1003-9953(11)60420-9

Yip, Lydia, Kubczyk, Tomasz M., Davies, Thomas Edward, Taylor, Stuart H.

, Apperley, David C. and Graham, Andrew E. 2012. Nanoporous aluminosilicate mediated transacetalization reactions: application in glycerol valorization. Catalysis Science & Technology 2 (11) , pp. 2258-2263. 10.1039/c2cy20188g

Yoosuf-Aly, Zulfa, Faraldos, Juan A., Miller, David James and Allemann, Rudolf Konrad

2012. Chemoenzymatic synthesis of the alarm pheromone (+)-verbenone from geranyl diphosphate. Chemical Communications 48 , pp. 7040-7042. 10.1039/c2cc32883f

Zamani, S., Carter, Emma

and Van Doorslaer, S. 2012. Probing differences in binding of methylbenzylamine enantiomers to chiral cobalt(II) salen complexes. Dalton Transactions 41 (22) , pp. 6861-6870. 10.1039/C2DT30207A

Zhang, Ling, Wang, Wenzhong, Sun, Songmei, Zhang, Zhijie, Xu, Jiehui and Ren, Jia 2012. Photocatalytic activity of Er3+, Yb3+ doped Bi5O7I. Catalysis Communications 26 , 88--92. 10.1016/j.catcom.2012.04.021

Zhang, Zhijie, Wang, Wenzhong, Gao, Erping, Sun, Songmei and Zhang, Ling 2012. Photocatalysis coupled with thermal effect induced by SPR on Ag-Loaded Bi2WO6 with enhanced photocatalytic activity. Journal of Physical Chemistry C 116 (49) , pp. 25898-25903. 10.1021/jp309719q

Zhang, Zhijie, Wang, Wenzhong, Wang, Lu and Sun, Songmei 2012. Enhancement of visible-light photocatalysis by coupling with narrow-band-gap semiconductor: A case study on Bi2S3/Bi2WO6. ACS Applied Materials and Interfaces 4 (2) , pp. 593-597. 10.1021/am2017199

Zhao, Liwei, Li, Jianfeng, Li, Yiquan, Liu, Jianwen, Wirth, Thomas

and Li, Zhong 2012. Selenium-containing naphthalimides as anticancer agents: Design, synthesis and bioactivity. Bioorganic and Medicinal Chemistry 20 (8) , pp. 2558-2563. 10.1016/j.bmc.2012.02.049

2011

Wirth, Thomas

, ed. 2011. Organoselenium chemistry: Synthesis and reactions. Weinheim: Wiley-VCH.

Ab Rahim, Mohd Hasbi 2011. Heterogeneous gold, palladium and copper based catalysts for liquid phase oxidation of methane. PhD Thesis, Cardiff University.

Ahmed, Mujib, Morgan, David John

, Attard, Gary Anthony, Wright, Edward, Thompsett, David and Sharman, Jonathan 2011. Unprecedented structural sensitivity toward average terrace width: Nafion adsorption at Pt{hkl} electrodes. Journal of Physical Chemistry C 115 (34) , pp. 17020-17027. 10.1021/jp2044042

Ahmed-Omer, Batoul, Barrow, D. A. and Wirth, Thomas

2011. Multistep reactions using microreactor chemistry. Arkivoc Online Journal of Organic Chemistry (4) , pp. 26-36.

Ahmed, Nisar

, Geronimo, Inacrist, Hwang, In-Chul, Singh, N. Jiten and Kim, Kwang S. 2011. cyclo-Bis(urea-3,6-dichlorocarbazole) as a chromogenic and fluorogenic receptor for anions and a selective sensor of zinc and copper cations. Chemistry - a European Journal 17 (31) , pp. 8542-8548. 10.1002/chem.201100243

Ahmed, Nisar

, Shirinfar, Bahareh, Geronimo, Inacrist and Kim, Kwang S. 2011. Fluorescent Imidazolium-Based Cyclophane for Detection of Guanosine-5'-triphosphate and I-in Aqueous Solution of Physiological pH. Organic Letters 13 (20) , pp. 5476-5479. 10.1021/ol202183t

Alberola, Antonio, Carter, Emma

, Constantinides, Christos P., Eisler, Dana J., Murphy, Damien Martin

and Rawson, Jeremy M. 2011. Crystal structures, EPR and magnetic properties of 2-ClC6H4CNSSN˙ and 2,5-Cl2C6H3CNSSN˙. Chemical Communications 47 (9) , pp. 2532-2534. 10.1039/c0cc04296j

Albers, Thomas, Baker (neé Johnstone), Julia, Coles, Simon J., Edwards, Peter Gerald

2011. Iron(ii) template synthesis of benzannulated triphospha- and triarsamacrocycles. Dalton Transactions 40 (37) , pp. 9525-9532. 10.1039/c0dt01724h

Aldridge, Simon, Downs, Anthony J. and Kays, Deborah L.

2011. Formal oxidation state +3: Organometallic chemistry. Aldridge, Simon and Downs, Anthony J., eds. The Group 13 Metals Aluminium, Gallium, Indium and Thallium: Chemical Patterns and Peculiarities, Wiley, pp. 148-245. (10.1002/9780470976548.ch3)

Aldridge, James K. W. 2011. Heterogeneous CuMn2O4, Pt, Pd and SnO2 catalysts for ambient temperature oxidation of carbon monoxide. PhD Thesis, Cardiff University.
Item availability restricted.

University College Cardiff Consultants Ltd 2011. Organometallic sensor device. Patent GB2458090. [Patent].

Aliev, Abil E., Mann, Sam E., Iuga, Dinu, Hughes, Colan Evan and Harris, Kenneth David Maclean

2011. Natural-abundance solid-state H-2 NMR spectroscopy at high magnetic field. Journal of Physical Chemistry A 115 (22) , pp. 5568-5578. 10.1021/jp202810k

Aliev, Abil E., Mann, Sam E., Rahman, Aisha S., McMillan, Paul F., Corà, Furio, Iuga, Dinu, Hughes, Colan Evan and Harris, Kenneth David Maclean

2011. High-resolution solid-state 2H NMR spectroscopy of polymorphs of glycine. Journal of Physical Chemistry A 115 (44) , pp. 12201-12211. 10.1021/jp207592u

Alotaibi, Raja and Hutchings, Graham John

2011. Seeding effect on the transformation of VO(H(2)PO(4))(2) into catalyst precursors VOHPO4(A)over-cap center dot 0.5H(2)O. Presented at: 241st ACS National Meeting and Exposition, Anaheim, CA, USA, 27-31 March 2011.

Altug, C., Burnett, Alan Kenneth, Caner, E., Dürüst, Y., Elliott, Mark Christopher

, Glanville, Roger P. J., Guy, Carol and Westwell, Andrew D.

2011. An efficient one-pot multicomponent approach to 5-amino-7-aryl-8-nitrothiazolo[3,2-a]pyridines. Tetrahedron 67 (49) , pp. 9522-9528. 10.1016/j.tet.2011.10.005

Andrews, Michael, Jones, Jennifer Elizabeth, Harding, Lindsay P. and Pope, Simon J. A.

2011. Luminescent probes based on water-soluble, dual-emissive lanthanide complexes: metal ion-induced modulation of near-IR emission. Chemical Communications 47 (1) , pp. 206-208. 10.1039/c0cc00210k

Andrews, Michael, Kariuki, Benson

2011. Functional luminescent lanthanide complexes: modulation of visible luminescence from europium complexes. Polyhedron 30 (12) , pp. 2055-2061. 10.1016/j.poly.2011.05.008

Ang, Wee Han, Casini, Angela

, Sava, Gianni and Dyson, Paul J. 2011. Organometallic ruthenium-based antitumor compounds with novel modes of action. Journal of Organometallic Chemistry 696 (5) , pp. 989-998. 10.1016/j.jorganchem.2010.11.009

Antonczak, Alicja K., Simova, Zuzana, Yonemoto, Isaac T., Bochtler, Matthias

, Piasecka, Anna, Czapińska, Honorata, Brancale, Andrea

and Tippmann, Eric Michael 2011. Importance of single molecular determinants in the fidelity of expanded genetic codes. Proceedings of the National Academy of Sciences of the United States of America 108 (4) , pp. 1320-1325. 10.1073/pnas.1012276108

Antonczak, Alicja K., Morris, Josephine Lydia and Tippmann, Eric Michael 2011. Advances in the mechanism and understanding of site-selective noncanonical amino acid incorporation. Current Opinion in Structural Biology 21 (4) , pp. 481-487. 10.1016/j.sbi.2011.04.004

Arshad, Afsheen, Osman, Hasnah, Bagley, Mark Christopher, Lam, Chan Kit, Mohamad, Suriyati and Zahariluddin, Anis Safirah Mohd 2011. Synthesis and antimicrobial properties of some new thiazolyl coumarin derivatives. European Journal of Medicinal Chemistry 46 (9) , pp. 3788-3794. 10.1016/j.ejmech.2011.05.044

Assfour, Bassem, Leoni, Stefano

, Seifert, Gotthard and Baburin, Igor A. 2011. Packings of carbon nanotubes - new materials for hydrogen storage. Advanced Materials 23 (10) , pp. 1237-1241. 10.1002/adma.201003669

Bagley, Mark Christopher, Davis, Terence

, Latimer, Joanna Elizabeth and Kipling, David Glyn 2011. The contribution of biogerontology to quality ageing. Quality in Ageing and Older Adults 12 (1) , pp. 26-32. 10.5042/qiaoa.2011.0142

Bagley, Mark Christopher 2011. Synthesis of the highly selective p38 MAPK inhibitor UR-13756 for possible therapeutic use in Werner syndrome (vol 2, pg 193, 2010) [Corrigendum]. Future Medicinal Chemistry 3 (1) , p. 138.

Bahruji, Hasliza, Bowker, Michael

and Pedrono, Fabien 2011. New insights into the mechanism of photocatalytic reforming on Pd/TiO2. Applied Catalysis B - Environmental 107 (1-2) , pp. 205-209. 10.1016/j.apcatb.2011.07.015

Balasingham, Rebeca, Coogan, Michael Peter and Thorp-Greenwood, Flora Lottie 2011. Complexes in context: Attempting to control the cellular uptake and localisation of rhenium fac-tricarbonyl polypyridyl complexes. Dalton Transactions 40 (44) , pp. 11663-11674. 10.1039/c1dt11219h

Ballard, Andrew 2011. Kinetics and mechanism of H/D exchange reactions and racemisation in aqueous solutions: configurational stability of ester and amide arylglycine derivatives. PhD Thesis, Cardiff University.

Bawaked, Salem Mohammed, Dummer, Nicholas

, Bethell, Donald, Knight, David William and Hutchings, Graham John

2011. Solvent-free selective epoxidation of cyclooctene using supported gold catalysts: an investigation of catalyst re-use. Green Chemistry 13 (1) , pp. 127-134. 10.1039/c0gc00550a

Bawaked, Salem Mohammed, He, Qian

, Carley, Albert Frederick, Knight, David William, Bethell, Donald, Kiely, Christopher John

2011. Selective oxidation of alkenes using graphite-supported gold-palladium catalysts. Catalysis Science & Technology 1 (5) , pp. 747-759. 10.1039/c1cy00122a

Beames, Joseph

, Lester, Marsha I., Murray, Craig, Varner, Mychel E. and Stanton, John F. 2011. Analysis of the HOOO torsional potential. Journal of Chemical Physics 134 (4) , 044304. 10.1063/1.3518415

Beames, Joseph

, Liu, Fan, Lester, Marsha I. and Murray, Craig 2011. Communication: A new spectroscopic window on hydroxyl radicals using UV plus VUV resonant ionization. Journal of Chemical Physics 134 (24) , 241102. 10.1063/1.3608061

Beames, Joseph

, O'Donnell, Bridget A., Ting, Melodie, Lester, Marsha I. and Stephenson, Thomas A. 2011. Experimental characterization of the weakly anisotropic CN X-2 Sigma(+) + Ne potential from IR-UV double resonance studies of the CN-Ne complex. Journal of Chemical Physics 134 (18) , 184308. 10.1063/1.3586810

Belmessieri, D., Morrill, Louis

, Simal, C., Slawin, A. M. Z. and Smith, A. D. 2011. Asymmetric Michael Addition-Lactonization of Carboxylic Acids. Synfacts 2011 (04) , 0436. 10.1055/s-0030-1259622

Belmessieri, Dorine, Morrill, Louis

, Simal, Carmen, Slawin, Alexandra M. Z. and Smith, Andrew D. 2011. Organocatalytic functionalization of carboxylic acids: isothiourea-catalyzed asymmetric intra- and intermolecular Michael Addition−lactonizations. Journal of the American Chemical Society 133 (8) , pp. 2714-2720. 10.1021/ja109975c

Berezin, Andrey A. and Koutentis, Panayiotis A. 2011. Suzuki–Miyaura reactions of the soluble guanylate cyclase inhibitor NS2028: a non-product specific route to C-8 substituted analogues. Tetrahedron 67 (22) , pp. 4069-4078. 10.1016/j.tet.2011.04.003

Berezin, Andrey A., Koutentis, Panayiotis A. and Manos, Manolis J. 2011. Synthesis of sulfur containing analogues of the soluble guanylate cyclase inhibitor 8-bromo-4H-[1,2,4]oxadiazolo[3,4-c][1,4]benzoxazin-1-one NS2028. Tetrahedron 67 (30) , pp. 5437-5443. 10.1016/j.tet.2011.05.071

Berezin, Andrey A. and Koutentis, Panayiotis A. 2011. 8-[2-Chloro-5-(trifluoromethyl)phenyl]-4H-[1,2,4]oxadiazolo-[3,4-c][1,4]benzoxazin-1-one. Molbank 2011 (2) , -. 10.3390/M728

Bezzu, Caterina Grazia, Helliwell, Madeleine, Kariuki, Benson

and McKeown, Neil B. 2011. Synthesis and crystal structure of a novel phthalocyanine-calixarene conjugate. Journal of Porphyrins and Phthalocyanines 15 (7-8) , pp. 686-690. 10.1142/S1088424611003628

Bhavsar, Dhairya, Trivedi, Jalpa, Parekh, Shrey, Savant, Mahesh, Thakrar, Shailesh, Bavishi, Abhay, Radadiya, Ashish

, Vala, Hardevsinh, Lunagariya, Jignesh, Parmar, Manisha, Paresh, Ladwa, Loddo, Roberta and Shah, Anamik 2011. Synthesis and in vitro anti-HIV activity of N-1,3-benzo[d]thiazol-2-yl-2-(2-oxo-2H-chromen-4-yl)acetamide derivatives using MTT method. Biorganic and Medicinal Chemistry Letters 21 (11) , pp. 3443-3446. 10.1016/j.bmcl.2011.03.105

Binks, Bernard P., Fletcher, Paul D.I., Salama, Ibrahim El Moaty, Horsup, David I. and Moore, Jennifer A. 2011. Quantitative prediction of the reduction of corrosion inhibitor effectiveness due to parasitic adsorption onto a competitor surface. Langmuir 27 (1) , pp. 469-473. 10.1021/la103570e

Binobaid, Abeer Abdulrahman, Cavell, Kingsley, Nechaev, M. S. and Kariuki, Benson

2011. Novel Intramolecular C-Aryl-S Bond Activation by an Electron Rich, Ring-Expanded-NHC-Rh centre: A Combined Experimental and DFT Study. Australian Journal of Chemistry 64 (8) , pp. 1141-1147. 10.1071/CH11243

Blake, Alexander J., Gower, Alexandra L., Lewis, William, Moxey, Graeme J., Reade, Thomas J. and Kays, Deborah L.

2011. Synthesis and characterisation of complexes of the 2,6-diphenoxyphenyl ligand. Journal of Organometallic Chemistry 696 (9) , pp. 1787-1791. 10.1016/j.jorganchem.2010.12.023

Blake, Alexander J., Lewis, William, McMaster, Jonathan, Moorhouse, Rhiannon S., Moxey, Graeme J. and Kays, Deborah L.

2011. Amido analogues of zincocenes and cadmocenes. Dalton Transactions 40 (8) , pp. 1641-1645. 10.1039/C0DT01710H

Bonne, Magali, Sellam, Djamila, Dacquin, Jean-Philippe

, Lee, Adam Fraser, Wilson, Karen, Olivi, Luca, Cognigni, Andrea, Marécot, Patrice, Royer, Sébastien and Duprez, Daniel 2011. A general route to synthesize supported isolated oxide and mixed-oxide nanoclusters at sizes below 5 nm. Chemical Communications 47 (5) , pp. 1509-1511. 10.1039/c0cc02662j

Bowker, Michael

2011. Sustainable hydrogen production by the application of ambient temperature photocatalysis. Green Chemistry 13 (9) , pp. 2235-2246. 10.1039/c1gc00022e

Bowker, Michael

, Cookson, Lucinda Sarah, Bhantoo, Jenita Rhiannon, Carley, Albert Frederick, Hayden, Edward William, Gilbert, Lee Alexander, Morgan, Christian, Counsell, Jonathan David and Yaseneva, Polina 2011. The decarbonylation of acetaldehyde on Pd crystals and on supported catalysts. Applied Catalysis A: General 391 (1-2) , pp. 394-399. 10.1016/j.apcata.2010.05.012

Bracey, Charlotte, Carley, Albert Frederick, Edwards, Jennifer Kelly

, Ellis, Peter R. and Hutchings, Graham John

2011. Understanding the effect of thermal treatments on the structure of CuAu/SiO2 catalysts and their performance in propene oxidation. Catalysis Science & Technology 1 (1) , pp. 76-85. 10.1039/c0cy00003e

Braun, Sebastian, Humphreys, Christine, Fraser, Elizabeth, Brancale, Andrea

, Bochtler, Matthias

and Dale, Trevor Clive

2011. Amyloid-Associated Nucleic Acid Hybridisation. PLoS ONE 6 (5) , e19125. 10.1371/journal.pone.0019125

Brazier, John Benedict, Hopkins, Gregory P., Jirari, Meriem, Mutter, Shaun, Pommereuil, Ronan, Samulis, Leopold, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2011. Iminium ion catalysis: direct comparison of imidazolidinone and diarylprolinol ether reactivity. Tetrahedron Letters 52 (21) , pp. 2783-2785. 10.1016/j.tetlet.2011.03.129

Brazier, John Benedict, Jones, Kevin Mark, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2011. On the roles of protic solvents in imidazolidinone-catalyzed transformations. Angewandte Chemie. International Edition 50 (7) , pp. 1613-1616. 10.1002/anie.201005892

Brett, Gemma Louise, He, Qian

, Hammond, Ceri

, Miedziak, Peter John, Dimitratos, Nikolaos

, Herzing, Andrew A., Conte, Marco, Lopez-Sanchez, Jose Antonio, Kiely, Christopher John

, Knight, David William, Taylor, Stuart H.

2011. Selective oxidation of glycerol by highly active bimetallic catalysts at ambient temperature under base-free conditions. Angewandte Chemie. International Edition 50 (43) , pp. 10136-10139. 10.1002/anie.201101772

Browne, Kenneth A., Deheyn, Dimitri D., El-Hiti, Gamal A., Smith, Keith and Weeks, Ian

2011. Simultaneous quantification of multiple nucleic acid targets using chemiluminescent probes. Journal of the American Chemical Society 133 (37) , pp. 14637-14648. 10.1021/ja202221h

Browne, Duncan L.

, Baumann, Marcus, Harji, Bashir H., Baxendale, Ian R. and Ley, Steven V. 2011. A new enabling technology for convenient laboratory scale continuous flow processing at low temperatures. Organic Letters 13 (13) , pp. 3312-3315. 10.1021/ol2010006

Browne, Duncan L.

, Baxendale, Ian R. and Ley, Steven V. 2011. Piecing together the puzzle: understanding a mild, metal free reduction method for the large scale synthesis of hydrazines. Tetrahedron 67 (52) , pp. 10296-10303. 10.1016/j.tet.2011.09.146

Browne, Duncan L.

, Deadman, Benjamin J., Ashe, Robert, Baxendale, Ian R. and Ley, Steven V. 2011. Continuous flow processing of slurries: evaluation of an agitated cell reactor. Organic Process Research and Development 15 (3) , pp. 693-697. 10.1021/op2000223

Buurma, Niklaas Jan

2011. Reactivity in organised assemblies. Annual Reports Section "B" (Organic Chemistry) 107 , pp. 328-348. 10.1039/c1oc90014e

Cao, Enhong, Meenakshisundaram, Sankar

, Firth, Steve, Lam, Koon Fung, Bethell, Donald, Knight, David William, Hutchings, Graham John

, McMillan, Paul F. and Gavriilidis, Asterios 2011. Reaction and Raman spectroscopic studies of alcohol oxidation on gold-palladium catalysts in microstructured reactors. Chemical Engineering Journal 167 (2-3) , pp. 734-743. 10.1016/j.cej.2010.08.082

Cao, Qian, Creely, Caitriona M., Davies, E. Stephen, Dyer, Joanne, Easun, Timothy

, Grills, David C., McGovern, David A., McMaster, Jonathan, Pitchford, Jonathan, Smith, Jayden A., Sun, Xue-Zhong, Kelly, John M. and George, Michael W. 2011. Excited state dependent electron transfer of a rhenium-dipyridophenazine complex intercalated between the base pairs of DNA: a time-resolved UV-visible and IR absorption investigation into the photophysics of fac-[Re(CO)(3)(F(2)dppz)(py)](+) bound to either [poly(dA-dT)](2) or [poly(dG-dC)](2). Photochemical & Photobiological Sciences 10 (8) , pp. 1355-1364. 10.1039/C1PP05050H

Carcedo, Cristina, Knight, James Christopher, Pope, Simon J. A.

and Dervisi, Athanasia

2011. Chiral silver and gold rings: synthesis and structural, spectroscopic, and photophysical properties of Ag and Au metallamacrocycles of bridging NHC ligands. Organometallics 30 (9) , pp. 2553-2562. 10.1021/om200125w

Caretti, Ignacio, Carter, Emma

, Murphy, Damien Murphy

and Van Doorslaer, Sabine 2011. Interactions of an asymmetric amine with a non-C2 symmetric Cu-salen complex: An EPR/ENDOR and HYSCORE investigation. Physical Chemistry Chemical Physics 13 (45) , pp. 20427-20434. 10.1039/c1cp22522g

Cargnoni, Fausto and Mella, Massimo 2011. Solubility of Metal Atoms in Helium Droplets: Exploring the Effect of the Well Depth Using the Coinage Metals Cu and Ag. Journal of Physical Chemistry A 115 (25) , pp. 7141-7152. 10.1021/jp112408d

Carley, Albert Frederick, Davies, Philip Rosser

, Hurcom, Jamie and Macsorley, Jenna 2011. An investigation into the chemistry of electrodeposited lanthanum hydroxide-polyethylenimine films. Thin Solid Films 10.1016/j.tsf.2011.11.087

Carley, Albert Frederick, Davies, Philip Rosser

and Roberts, Meirion Wyn 2011. Oxygen transient states in catalytic oxidation at metal surfaces. Catalysis Today 169 (1) , pp. 118-124. 10.1016/j.cattod.2010.10.081

Carley, Albert Frederick, Morgan, David John

, Song, Nianxue, Roberts, Meirion Wyn, Taylor, Stuart H.

, Howard, Kara Louise and Hutchings, Graham John

2011. CO bond cleavage on supported nano-gold during low temperature oxidation. Physical Chemistry Chemical Physics 13 (7) , pp. 2528-2538. 10.1039/c0cp01852j

Carpenter, Barry K.

2011. Taking the High Road and Getting There Before You. Science 332 (6035) , pp. 1269-1270. 10.1126/science.1206693

Carr, Jenny M., Duggan, Peter James, Humphrey, David G., Platts, James Alexis

and Tyndall, Edward M. 2011. Wood protection properties of quaternary ammonium spiroborate esters derived from alkyl tartrates. Australian Journal of Chemistry 64 (4) , pp. 495-502. 10.1071/CH11022

Carta, Mariolino

, Raftery, James and McKeown, Neil 2011. Crystal Structures of 5,6,5′,6′-Tetramethoxy-1,1′-spirobisindane-3,3′-dione and two of its Fluorene Adducts. Journal of Chemical Crystallography 41 (2) , pp. 98-104. 10.1007/s10870-010-9844-1

Carter, Emma

, Morgan, Ian Rhys

, Tatchell, Thomas, Van Doorslaer, S. and Vinck, E. 2011. Structure and pulsed EPR characterization of N,N′-bis(5-tert-butylsalicylidene)-1,2-cyclohexanediamino-vanadium(IV) oxide and its adducts with propylene oxide. Dalton Transactions 40 (28) , pp. 7454-7462. 10.1039/c1dt10378d

Casini, Angela

and Messori, Luigi 2011. Molecular mechanisms and proposed targets for selected anticancer gold compounds. Current Topics in Medicinal Chemistry 11 (21) , pp. 2647-2660. 10.2174/156802611798040732

Chakravorty, Stutee, Platts, James Alexis

and Das, Birinchi K. 2011. Novel C-H-C contacts involving 3,5-dimethylpyrazole ligands in a tetracoordinate Co(ii) complex. Dalton Transactions 40 (43) , pp. 11605-11612. 10.1039/c1dt10948k

Chen, Lin, Raeburn, Jaclyn, Sutton, Sam, Spiller, David G., Williams, James, Sharp, James S., Griffiths, Peter Charles, Heenan, Richard K., King, Stephen M., Paul, Alison

, Furzeland, Steve, Atkins, Derek and Adams, Dave J. 2011. Tuneable mechanical properties in low molecular weight gels. Soft Matter 7 (20) , pp. 9721-9727. 10.1039/c1sm05827d

Cheung, Eugene Y., Fujii, Kotaro, Guo, Fang, Harris, Kenneth David Maclean

, Hasebe, Sayoko and Kuroda, Reiko 2011. Structural chemistry of a new chiral anhydrous phase of Ru(bipy)3(ClO4)2 established from powder x-ray diffraction analysis. Crystal Growth and Design 11 (8) , pp. 3313-3317. 10.1021/cg200379h

Cho, Churl Hee, Oh, Ka Yeon, Kim, Si Kyung, Yeo, Jeong Gu and Sharma, Pankaj

2011. Pervaporative seawater desalination using NaA zeolite membrane: Mechanisms of high water flux and high salt rejection. Journal of Membrane Science 371 (1-2) , pp. 226-238. 10.1016/j.memsci.2011.01.049

Chotima, Ratanon, Dale, Tim, Green, Michael, Hey, Thomas W., McMullin, Claire L., Nunns, Adam, Orpen, A. Guy, Shishkov, Igor V., Wass, Duncan F.

and Wingad, Richard L. 2011. Cyclopropenylidene carbene ligands in palladium catalysed coupling reactions: Carbene ligand rotation and application to the Stille reaction. Dalton Transactions 40 (19) , pp. 5316-5323. 10.1039/c1dt10109a

Cowley, Hugh J., Holt, Mark S., Melen, Rebecca L.

, Rawson, Jeremy M. and Wright, Dominic S. 2011. Catalytic dehydrocoupling of Me2NHBH3 with Al(NMe2)3. Chemical Communications 47 (9) , pp. 2682-2684. 10.1039/c0cc05294a

Crosby, Sarah H., Clarkson, Guy J. and Rourke, Jonathan P.

2011. Reactions of a platinum(II) agostic complex: decyclometalation, dcyclometalation, and solvent-switchable formation of a rollover complex. Organometallics 30 (13) , pp. 3603-3609. 10.1021/om200293e

Crosby, Sarah H., Deeth, Robert J., Clarkson, Guy J. and Rourke, Jonathan P.

2011. Platinum(IV) centres with agostic interactions from either sp(2) or sp(3) C-H bonds. Dalton Transactions 40 (6) , pp. 1227-1229. 10.1039/c0dt01428a

Davies, Robert J., Edwards, Dyfan, Gräfe, Joachim Robert, Gilbert, Lee Alexander, Davies, Philip Rosser

2011. The oxidation of Fe(111). Surface Science 605 (17-18) , pp. 1754-1762. 10.1016/j.susc.2011.06.017

Davis, Terence

, Dix, Matthew Charles, Rokicki, Michal Jaroslaw, Brook, Amy Jayne Chedzoy, Widdowson, Caroline Susan, Kipling, David Glyn and Bagley, Mark Christopher 2011. Investigating the role of c-Jun N-terminal kinases in the proliferation of Werner syndrome fibroblasts using diaminopyridine inhibitors. Chemistry Central Journal 5 (1) , pp. 83-88. 10.1186/1752-153X-5-83

Deacon, Samuel P. E., Apostolovic, Bojana, Carbajo, Rodrigo J., Schott, Anne-Kathrin, Beck, Konrad

, Vicent, Maria J., Pineda-Lucena, Antonio, Klok, Harm-Anton and Duncan, Ruth 2011. Polymer coiled-coil conjugates: potential for development as a new class of therapeutic "molecular switch". Biomacromolecules 12 (1) , pp. 19-27. 10.1021/bm100843e

Deng, Z., Nicolas, C.-H., Guo, Y., Giroir-Fendler, A. and Pera-Titus, M. 2011. Isomorphously substituted B-MFI hollow fibre membranes for p-xylene separation from C8 aromatic mixtures. Separation and Purification Technology 80 (2) , pp. 232-239. 10.1016/j.seppur.2011.05.014

Dervisi, Athanasia

2011. Nickel, palladium and platinum. Annual Reports on the Progress of Chemistry - Section A 107 , pp. 209-220. 10.1039/c1ic90032c

Doganci, Merve D., Sesli, Belma U., Erbil, H. Yildirim, Binks, Bernard P. and Salama, Ibrahim El Moaty 2011. Liquid marbles stabilized by graphite particles from aqueous surfactant solutions. Colloids and Surfaces A: Physicochemical and Engineering Aspects 384 (1-3) , pp. 417-426. 10.1016/j.colsurfa.2011.04.027

Dummer, Nicholas

, Bawaked, Salem Mohammed, Hayward, James, Jenkins, Robert Leyshon and Hutchings, Graham John

2011. Reprint of: Oxidative dehydrogenation of cyclohexane and cyclohexene over supported gold, -palladium catalysts. Catalysis Today 160 (1) , pp. 50-54. 10.1016/j.cattod.2010.12.014

Dunnill, Charles W., Ansari, Zarrin, Kafizas, Andreas, Perni, Stefano, Morgan, David John

, Wilson, Mike and Parkin, Ivan P. 2011. Visible light photocatalysts-N-doped TiO2 by sol-gel, enhanced with surface bound silver nanoparticle islands. Journal of Materials Chemistry 21 (32) , pp. 11854-11861. 10.1039/c1jm11557j

Dunseath, G. J., Woodhead, S., Woodhead, A., Smith, Keith, Popham, C., Bourne, S. and Luzio, S. 2011. Development of a novel insulin glargine chemiluminescent assay [Abstract]. Diabetologia 54 (9) , S430-S431.

Dunsford, Jay J. and Cavell, Kingsley John 2011. Expanded ring N-heterocyclic carbenes: A comparative study of ring size in palladium (0) catalysed Mizoroki-Heck coupling. Dalton Transactions 40 (36) , pp. 9131-9135. 10.1039/C1DT10596E

Dunsford, Jay J., Cavell, Kingsley John and Kariuki, Benson

2011. Expanded ring N-heterocyclic carbene complexes of zero valent platinum dvtms (divinyltetramethyldisiloxane): Highly efficient hydrosilylation catalysts. Journal of Organometallic Chemistry 696 (1) , pp. 188-194. 10.1016/j.jorganchem.2010.08.045

Edden, Richard Anthony Edward and Jones, Derek K.

2011. Spatial and orientational heterogeneity in the statistical sensitivity of skeleton-based analyses of diffusion tensor MR imaging data. Journal of Neuroscience Methods 201 (1) , pp. 213-219. 10.1016/j.jneumeth.2011.07.025

Edwards, Peter Gerald and Hahn, F.Ekkehardt 2011. Synthesis and coordination chemistry of macrocyclic ligands featuring NHC donor groups. Dalton Transactions 40 (40) , pp. 10278-10288. 10.1039/c1dt10864f

Edwards, Peter G.

, Limon, Matthieu Deniel, Ooi, Liling, Platts, James Alexis

2011. Metal complexes of a structurally embellished phosphinane ligand: an assessment of stereoelectronic effects. European Journal of Inorganic Chemistry 2011 (8) , pp. 1230-1239. 10.1002/ejic.201001170

Edwards, Peter Gerald

2011. Coordination behaviour in transition metal complexes of asymmetric NPN ligands. Polyhedron 30 (6) , pp. 935-941. 10.1016/j.poly.2010.12.029

Edwards, Peter Gerald

and Stasch, Andreas

2011. Coordination chemistry of an asymmetric P,N,O tridentate ligand containing primary phosphine, amine and alcohol donors. Journal of Organometallic Chemistry 696 (8) , pp. 1652-1658. 10.1016/j.jorganchem.2011.01.031

El Moll, Hani, Nohra, Brigitte, Mialane, Pierre, Marrot, Jérôme, Dupré, Nathalie, Riflade, Benoît, Malacria, Max, Thorimbert, Serge, Hasenknopf, Bernold, Lacôte, Emmanuel, Aparicio Sanchez, Pablo

, López, Xavier, Poblet, Josep M. and Dolbecq, Anne 2011. Lanthanide Polyoxocationic Complexes: Experimental and Theoretical Stability Studies and Lewis Acid Catalysis. Chemistry: A European Journal 17 (50) , pp. 14129-14138. 10.1002/chem.201101754

El-Hiti, Gamal A., Hussain, Ajaz, Hegazy, Amany Saber and Alotaibi, Mohammad H. 2011. Thioxoquinazoline derivatives: synthesis, reactions and biological activities. Journal of Sulfur Chemistry 32 (4) , pp. 361-395. 10.1080/17415993.2011.601417

Falletta, Ermelinda, Della Pina, Cristina, Rossi, Michele, He, Qian, Kiely, Christopher John

2011. Enhanced performance of the catalytic conversion of allyl alcohol to 3-hydroxypropionic acid using bimetallic gold catalysts. Faraday Discussions 152 , pp. 367-379. 10.1039/c1fd00063b

Faraldos, Juan A. and Allemann, Rudolf Konrad

2011. Inhibition of (+)-Aristolochene Synthase with Iminium Salts Resembling Eudesmane Cation. Organic Letters 13 (5) , pp. 1202-1205. 10.1021/ol2000843

Faraldos, Juan A., Antonczak, Alicja K., Gonzalez, Veronica, Fullerton, Rebecca, Tippmann, Eric Michael and Allemann, Rudolf Konrad

2011. Probing eudesmane cation−π interactions in catalysis by aristolochene synthase with non-canonical amino acids. Journal of the American Chemical Society 133 (35) , pp. 13906-13909. 10.1021/ja205927u

Faraldos, Juan A., Gonzalez, Veronica, Senske, Michael and Allemann, Rudolf Konrad

2011. Templating effects in aristolochene synthase catalysis: elimination versus cyclisation. Organic & Biomolecular Chemistry 9 (20) , pp. 6920-6923. 10.1039/c1ob06184d

Faraldos, Juan A., Kariuki, Benson

and Coates, Robert M. 2011. 2-Azapinanes: Aza Analogues of the Enantiomeric Pinyl Carbocation Intermediates in Pinene Biosynthesis. Organic Letters 13 (5) , pp. 836-839. 10.1021/ol1027893

Ferguson, Elaine Lesley

, Roberts, Jessica Louise, Moseley, Ryan

, Griffiths, Peter Charles and Thomas, David William

2011. Evaluation of the physical and biological properties of hyaluronan and hyaluronan fragments. International Journal of Pharmaceutics 420 (1) , pp. 84-92. 10.1016/j.ijpharm.2011.08.031

Firth, Andrew G., Wilson, Karen, Baumann, Christoph G. and Fairlamb, Ian J. S. 2011. Interrogation of a Sonogashira cross-coupling of 8-Bromoguanosine with Phenylacetylene on Amberlite: Evidence for Pd/Cu ion binding and propagation of Pd/Cu nanoparticles. Nucleosides, Nucleotides & Nucleic Acids 30 (2) , pp. 168-184. 10.1080/15257770.2010.548844

Folli, Andrea

, Campbell, Steven B., Anderson, James A. and Macphee, Donald E. 2011. Role of TiO2 surface hydration on NO oxidation photo-activity. Journal of Photochemistry and Photobiology A: Chemistry 220 (2-3) , pp. 85-93. 10.1016/j.jphotochem.2011.03.017

Forde, Michael M. 2011. Low temperature aqueous phase oxidation of alkanes with metal doped zeolites prepared by chemical vapour infiltration. PhD Thesis, Cardiff University.
Item availability restricted.

Freudendahl, Diana M. and Wirth, Thomas

2011. New selenium electrophiles and their reactivity. Woollins, J. Derek and Laitinen, Risto, eds. Selenium and Tellurium Chemistry: From Small Molecules to Biomolecules and Materials, London: Springer, pp. 41-56.

Fricke, Thomas, Mart, Robert J.

, Watkins, Catherine Louise, Wiltshire, Marie, Errington, Rachel Jane

, Smith, Paul James, Jones, Arwyn Tomos

2011. Chemical synthesis of cell-permeable apoptotic peptides from in vivo produced proteins. Bioconjugate Chemistry 22 (9) , pp. 1763-1767. 10.1021/bc200338u

Fritsch, Detlev, Bengtson, Gisela, Carta, Mariolino

and McKeown, Neil B. 2011. Synthesis and Gas Permeation Properties of Spirobischromane-Based Polymers of Intrinsic Microporosity. Macromolecular Chemistry and Physics 212 (11) , pp. 1137-1146. 10.1002/macp.201100089

Fujii, Kotaro, Young, Mark Thomas

2011. Exploiting powder X-ray diffraction for direct structure determination in structural biology: the P2X4 receptor trafficking motif YEQGL. Journal of Structural Biology 174 (3) , pp. 461-467. 10.1016/j.jsb.2011.03.001

Gabbiani, Chiara, Casini, Angela

, Kelter, Gerhard, Cocco, Fabio, Cinellu, Maria Agostina, Fiebig, Heinz-Herbert and Messori, Luigi 2011. Mechanistic studies on two dinuclear organogold(III) compounds showing appreciable antiproliferative properties and a high redox stability. Metallomics 3 (12) , pp. 1318-1323. 10.1039/C1MT00113B

Gabbiani, Chiara, Mastrobuoni, Guido, Sorrentino, Francesca, Dani, Barbara, Rigobello, Maria Pia, Bindoli, Alberto, Cinellu, Maria Agostina, Pieraccini, Giuseppe, Messori, Luigi and Casini, Angela

2011. Thioredoxin reductase, an emerging target for anticancer metallodrugs. Enzyme inhibition by cytotoxic gold(III) compounds studied with combined mass spectrometry and biochemical assays. MedChemComm 2 (1) , pp. 50-54. 10.1039/C0MD00181C

Gaber, H. M. and Bagley, Mark Christopher 2011. Regioselective synthesis and biological evaluation of some novel thiophene-containing heterocyclic scaffolds as potential chemotherapeutic agents. European Journal of Chemistry 2 (2) , pp. 214-222. 10.5155/eurjchem.2.2.214-222.411

Gaber, H. M., Bagley, Mark Christopher, Sherif, S. M. and Sayed, M. A. 2011. Novel phenylazo derivatives of condensed and uncondensed thiophene: synthesis, characterization, and antimicrobial studies. Zeitschrift fur Naturforschung B - A Journal of Chemical Sciences 66 (6) , pp. 585-596. 10.1002/chin.201143098

Garcia, Tomas, Weng, Weihao, Solsona, Benjamin Espriu, Carter, Emma

, Carley, Albert Frederick, Kiely, Christopher John

2011. The significance of the order of impregnation on the activity of vanadia promoted palladium-alumina catalysts for propane total oxidation. Catalysis Science & Technology 1 (8) , pp. 1367-1375. 10.1039/c0cy00032a

Gee, Julia Margaret Wendy

, Aleskandarany, M., Finlay, Pauline, Farrow, Lynne, Nicholson, Robert Ian, Habashy, H., Green, Adam, Rakha, E., Powell, D., Jasani, Bharat, Barrett-Lee, Peter, Robertson, J., Shaw, Victoria E. and Ellis, Ieuan

2011. Abstract P2-09-37: Immunohistochemical markers progesterone receptor, HER2, Ki67 and bcl-2-Associated Athanogene 1 and prediction of adjuvant Tamoxifen treatment outcome in ER+ early breast cancer [Abstract]. Cancer Research 70 (24 Sup) , P2-09. 10.1158/0008-5472.SABCS10-P2-09-37

Gille, A., Rehbein, Julia and Hiersemann, Martin 2011. Gosteli-Claisen Rearrangement of Propargyl Vinyl Ethers: Cascading Molecular Rearrangements. Organic Letters 13 (8) , pp. 2122-2125. 10.1021/ol200558j

Golchoubian, Hamid, Nazari, Omeleila and Kariuki, Benson

2011. Synthesis, structure and solvatochromism studies on copper(II) complexes containing ethylenediamine, pyridine and imidazol ligands. Journal of the Chinese Chemical Society 58 (1) , pp. 60-68. 10.1002/jccs.201190059

Goldman, Lawrence Michael, Glowacki, David R. and Carpenter, Barry K.

2011. Nonstatistical dynamics in unlikely places: [1,5] hydrogen migration in chemically activated cyclopentadiene. Journal of the American Chemical Society 133 (14) , pp. 5312-5318. 10.1021/ja1095717

Grainger, Richard S., Patel, Bhaven, Kariuki, Benson

, Male, Louise and Spencer, Neil 2011. Sulfur monoxide transfer from peri-substituted trisulfide-2-oxides to dienes: substituent effects, mechanistic studies and application in thiophene synthesis. Journal of the American Chemical Society 133 (15) , pp. 5843-5852. 10.1021/ja108865w

Griffiths-Jones, Charlotte M. and Knight, David William 2011. A total synthesis of (±)-α-cyclopiazonic acid using a cationic cascade as a key step. Tetrahedron 67 (44) , pp. 8515-8528. 10.1016/j.tet.2011.08.094

Griffiths, Peter Charles, Paul, Alison

, Apostolovic, Bojana, Klok, Harm-Anton, De Luca, Edoardo, King, Stephen M. and Heenan, Richard K. 2011. Conformational consequences of cooperative binding of a coiled-coil peptide motif to poly(N-(2-hydroxypropyl) methacrylamide) HPMA copolymers. Journal of Controlled Release 153 (2) , pp. 173-179. 10.1016/j.jconrel.2011.03.030

Hallett, Andrew Jon and Jones, Jennifer Elizabeth 2011. Purification-free synthesis of a highly efficient ruthenium dye complex for dye-sensitised solar cells (DSSCs). Dalton Transactions 40 (15) , pp. 3871-3876. 10.1039/C0DT01374A

Hallett, Andrew Jon, Baber, R. Angharad, Orpen, A. Guy and Ward, Benjamin David

2011. The co-ordination chemistry of tris(3,5-dimethylpyrazolyl) methane manganese carbonyl complexes: Synthetic, electrochemical and DFT studies. Dalton Transactions 40 (36) , pp. 9276-9283. 10.1039/C1DT10828J

Hallett, Andrew Jon, Kariuki, Benson

2011. New 2,3-disubstituted-5-hydroxyquinoxaline ligands and their coordination chemistry with cyclometallated iridium(iii): syntheses, structures and tunable electronic properties. Dalton Transactions 40 (37) , pp. 9474-9481. 10.1039/c1dt10707k

Hallett, Andrew Jon and Pope, Simon J. A.

2011. Towards near-IR emissive rhenium tricarbonyl complexes: Synthesis and characterisation of unusual 2,2'-biquinoline complexes. Inorganic Chemistry Communications 14 (10) , pp. 1606-1608. 10.1016/j.inoche.2011.06.021

Hammond, Ceri

, Lopez-Sanchez, Jose Antonio, Ab Rahim, Mohd Hasbi, Dimitratos, Nikolaos

, Jenkins, Robert Leyshon, Carley, Albert Frederick, He, Qian

, Kiely, Christopher John

, Knight, David William and Hutchings, Graham John

2011. Synthesis of glycerol carbonate from glycerol and urea with gold-based catalysts. Dalton Transactions 40 (15) , pp. 3927-3937. 10.1039/c0dt01389g

Hansmann, Max M., Melen, Rebecca L.

and Wright, Dominic S. 2011. Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity. Chemical Science 2 (8) , pp. 1554-1559. 10.1039/c1sc00154j

Hardwick, Helen C., Royal, Drew S., Helliwell, Madeleine, Pope, Simon J. A.

, Ashton, Lorna, Goodacre, Roy and Sharrad, Clint A. 2011. Structural, spectroscopic and redox properties of uranyl complexes with a maleonitrile containing ligand. Dalton Transactions 40 (22) , pp. 5939-5952. 10.1039/c0dt01580f

Hardwicke, Joseph, Hart, Jeff, Bell, Andrea, Duncan, Ruth, Thomas, David William

and Moseley, Ryan

2011. The effect of dextrin-rhEGF on the healing of full-thickness, excisional wounds in the (db/db) diabetic mouse. Journal of Controlled Release 152 (3) , pp. 411-417. 10.1016/j.jconrel.2011.03.016

Hasan, A. O., Leung, P., Tsolakis, A., Golunski, Stanislaw E.

, Xu, H. M., Wyszynski, M. L. and Richardson, S. 2011. Effect of composite aftertreatment catalyst on alkane, alkene and monocyclic aromatic emissions from an HCCI/SI gasoline engine. Fuel 90 (4) , pp. 1457-1464. 10.1016/j.fuel.2010.12.018

Hashem, Mohammed

2011. Novel polymers of intrinsic microporosity. PhD Thesis, Cardiff University.

Hashem, Mohammed

, Bezzu, Caterina Grazia, Kariuki, Benson

and McKeown, Neil B. 2011. Enhancing the rigidity of a network polymer of intrinsic microporosity by the combined use of phthalocyanine and triptycene components. Polymer Chemistry 2 (10) , pp. 2190-2192. 10.1039/c1py00288k

Hatcher, Lauren E.

, Warren, Mark R., Allan, David R., Brayshaw, Simon K., Johnson, Andrew L., Fuertes, Sara, Schiffers, Stefanie, Stevenson, Anna J., Teat, Simon J., Woodall, Christopher H. and Raithby, Paul R. 2011. Metastable linkage isomerism in [Ni(Et4dien)(NO2)2]: a combined thermal and photocrystallographic structural investigation of a Nitro/Nitrito interconversion. Angewandte Chemie International Edition 50 (36) , pp. 8371-8374. 10.1002/anie.201102022

Hazzazi, Omar A., Harris, Catherine Ann, Wells, Peter Bernard and Attard, Gary Anthony 2011. Electrooxidation of d- and l-Glucose at well-defined chiral bimetallic electrodes. Topics in Catalysis 54 (19-20) , pp. 1392-1402. 10.1007/s11244-011-9766-y

Howard, Kara Louise and Willock, David James

2011. A periodic DFT study of the activation of O2 by Au nanoparticles on a-Fe2O3. Faraday Discussions 152 , pp. 135-151. 10.1039/c1fd00026h

Hussain, M., ur-Rehman, Zia-, Hanif, M., Altaf, M., ur-Rehman, Aziz-, Ali, S. and Cavell, Kingsley John 2011. Structural studies of diethyltin(IV) derivatives and their biological aspects as potential antitumor agents against Agrobacterium tumefacien cells. Applied Organometallic Chemistry 25 (6) , pp. 412-419. 10.1002/aoc.1777

Hutchings, Graham John

2011. Preface. Faraday Discussions 152 , pp. 9-10. 10.1039/c1fd90029c

Hutchings, Graham John

, Bawaked, Salem Mohammed, Dummer, Nicholas

, Knight, David William, Bethell, Donald, Jenkins, Robert Leyshon, Carley, Albert Frederick, Kiely, Christopher John

and He, Quian 2011. Selective epoxidation of cyclooctene using graphite-supported gold and gold palladium catalysts. Presented at: 241st ACS National Meeting and Exposition, Anaheim, CA, 27-31 March 2011.

Hutchings, Graham John

, Dimitratos, Nikolaos

and Miedziak, Peter John 2011. Nanocrystalline gold catalysts for selective oxidation. Presented at: 242nd ACS National Meeting, Denver, Co, 28 August - 1 September 2011. Abstracts of Papers of the American Chemical Society. , vol.242 American Chemical Society,

Ilott, Andrew J., Palucha, Sebastian, Batsanov, Andrei S., Harris, Kenneth David Maclean

, Hodgkinson, Paul and Wilson, Mark R. 2011. Structural properties of carboxylic acid dimers confined within the urea tunnel structure: an MD simulation study. Journal of Physical Chemistry B 115 (12) , pp. 2791-2800. 10.1021/jp110137h

Izzo, Lorella, Griffiths, Peter Charles, Nilmini, Renuka, King, Stephen M., Wallom, Kerri-Lee, Ferguson, Elaine Lesley

and Duncan, Ruth 2011. Impact of polymer tacticity on the physico-chemical behaviour of polymers proposed as therapeutics. International Journal of Pharmaceutics 408 (1-2) , pp. 213-222. 10.1016/j.ijpharm.2011.02.003

Jalama, K., Coville, N.J., Xiong, H., Hildebrandt, D., Glover, D., Taylor, Stuart H.

, Carley, Albert Frederick, Anderson, J.A. and Hutchings, Graham John

2011. A comparison of Au/Co/Al2O3 and Au/Co/SiO2 catalysts in the Fischer-Tropsch reaction. Applied Catalysis A: General 395 (1-2) , pp. 1-9. 10.1016/j.apcata.2011.01.002

Jangher, Abdulhakim Ali 2011. Temperature and cosolvent effects of polymer conformations in solution. PhD Thesis, Cardiff University.

Jangher, Abdulhakim, Griffiths, Peter Charles, Paul, Alison

, King, S. M., Heenan, R. K. and Schweins, R. 2011. Polymeric micelle disruption by cosolvents and anionic surfactants. Colloids and Surfaces A: Physicochemical and Engineering Aspects 391 (1-3) , pp. 88-94. 10.1016/j.colsurfa.2011.08.006

Jeffs, Laura E., Arquier, Damien, Kariuki, Benson

, Bethell, Donald, Page, Philip C. Bulman and Hutchings, Graham John

2011. On the enantioselectivity of aziridination of styrene catalysed by copper triflate and copper-exchanged zeolite Y: consequences of the phase behaviour of enantiomeric mixtures of N-arene-sulfonyl-2-phenylaziridines. Organic & Biomolecular Chemistry 9 (4) , pp. 1079-1084. 10.1039/c0ob00724b

Jones, James T. A., Holden, Daniel, Mitra, Tamoghna, Hasell, Tom, Adams, Dave J., Jelfs, Kim E., Trewin, Abbie, Willock, David James

, Day, Graeme M., Bacsa, John, Steiner, Alexander and Cooper, Andrew I. 2011. On-off porosity switching in a molecular organic solid. Angewandte Chemie. International Edition 50 (3) , pp. 749-753. 10.1002/anie.201006030

Jones, Jennifer Elizabeth, Amoroso, Angelo James

, Dorin, Irina Mihaela, Parigi, Giacomo, Ward, Benjamin David

, Buurma, Niklaas Jan

2011. Bimodal, dimetallic lanthanide complexes that bind to DNA: the nature of binding and its influence on water relaxivity. Chemical Communications 47 (12) , pp. 3374-3376. 10.1039/C1CC00111F

Jones, Jennifer Elizabeth, Kariuki, Benson

, Ward, Benjamin David

2011. Amino-anthraquinone chromophores functionalised with 3-picolyl units: structures, luminescence, DFT and their coordination chemistry with cationic Re(I) di-imine complexes. Dalton Transactions 40 (14) , pp. 3498-3509. 10.1039/C0DT01383H

Kapil, A., Wilson, Karen, Lee, Adam Fraser and Sadhukhan, J. 2011. Kinetic modeling studies of heterogeneously catalyzed biodiesel synthesis reactions. Industrial and Engineering Chemistry Research 50 (9) , pp. 4818-4830. 10.1021/ie101403f

Karabulut, Sedat, Namli, Hilmi and Mella, Massimo 2011. Detection of relative dimer and rotamer concentrations of diacetamide in different solvents by FT-IR spectroscopy and DFT calculations. Vibrational Spectroscopy 57 (2) , pp. 294-299. 10.1016/j.vibspec.2011.08.008

Kays, Deborah L.

2011. Recent developments in transition metal diaryl chemistry. Dalton Transactions 40 (4) , pp. 769-778. 10.1039/C0DT01247E

Kesavan, Lokesh 2011. Solvent-free oxidation of primary carbon-hydrogen bonds in toluene using supported gold palladium alloy nanoparticles. PhD Thesis, Cardiff University.

Kesavan, Lokesh, Tiruvalam, Ramchandra, Ab Rahim, Mohd Hasbi, Saiman, Mohd Izham, Enache, Dan Ion, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Taylor, Stuart H.

, Knight, David William, Kiely, Christopher John

2011. Solvent-free oxidation of primary carbon-hydrogen bonds in toluene using Au-Pd alloy nanoparticles. Science 331 (6014) , pp. 195-199. 10.1126/science.1198458

King, Ian Stephen Charles 2011. On the synthesis of furan-containing fragrance compounds. PhD Thesis, Cardiff University.

Knight, James Christopher, Hallett, Andrew Jon, Brancale, Andrea

, Paisey, Stephen James

, Clarkson, Richard W. E.

and Edwards, Peter Gerald

2011. Evaluation of a fluorescent derivative of AMD3100 and its interaction with the CXCR4 chemokine receptor. ChemBioChem 12 (17) , pp. 2692-2698. 10.1002/cbic.201100441

Knight, David William 2011. Oxazole and its derivatives. Majumdar, Krishna C. and Chattopadhyay, Shital K., eds. Heterocycles in Natural Product Synthesis, Weinheim: Wiley-VCH, pp. 403-458. (10.1002/9783527634880.ch12)

Knight, James Christopher, Edwards, Peter Gerald

and Paisey, Stephen James

2011. Fluorinated contrast agents for magnetic resonance imaging; a review of recent developments. RSC Advances 1 (8) , pp. 1415-1425. 10.1039/c1ra00627d

Knight, James Christopher, Prabaharan, Ravi, Amoroso, Angelo James

, Edwards, Peter Gerald

and Ooi, Liling 2011. Synthesis and co-ordination chemistry of tris(picolyl-2-carboxyamido-6-pyridyl) methanol: A ligand with a strong preference for trigonal prismatic geometries. Polyhedron 31 (1) , pp. 457-462. 10.1016/j.poly.2011.09.040

Knight, James Christopher, Prabaharan, Ravi, Edwards, Peter Gerald

and Amoroso, Angelo James

2011. Co-ordination of a new bis-terpyridine ligand with cupric perchlorate yielding a dinuclear M2L species. Journal of Molecular Structure 989 (1-3) , pp. 86-90. 10.1016/j.molstruc.2011.01.009

Kondrat, Simon A., Davies, Thomas Edward, Zu, Zhongling, Boldrin, Paul, Bartley, Jonathan Keith

, Rosseinsky, Matthew J. and Hutchings, Graham John

2011. The effect of heat treatment on phase formation of copper manganese oxide: Influence on catalytic activity for ambient temperature carbon monoxide oxidation. Journal of Catalysis 281 (2) , pp. 279-289. 10.1016/j.jcat.2011.05.012

Kubczyk, T. M., Williams, S. M., Kean, J. R., Davies, Thomas Edward, Taylor, Stuart H.

and Graham, Andrew E. 2011. Nanoporous aluminosilicate catalyzed Friedel-Crafts alkylation reactions of indoles with aldehydes and acetals. Green Chemistry 13 (9) , pp. 2320-2325. 10.1039/c1gc15669a

Kumari, Niraj, Maurya, Brajesh Kumar, Koiri, Raj Kumar, Trigun, Surendar Kumar, Saripella, Srikrishna, Coogan, Michael and Mishra, Lallan 2011. Cytotoxic activity, cell imaging and photocleavage of DNA induced by a Pt(II) cyclophane bearing 1,2 diamino ethane as a terminal ligand. MedChemComm 2 (12) , pp. 1208-1216. 10.1039/c1md00159k

Lai-Fung Chan, Sharon, Wai-Yin Sun, Raymond, Choi, Mei-Yuk, Zeng, Yibo, Shek, Lam, Sin-Yin Chui, Stephen and Che, Chi-Ming 2011. An anti-cancer trinuclear ruthenium(iii) complex with 2-thiosalicylate ligands attenuates Wnt-β-catenin signaling. Chemical Science 2 (9) , pp. 1788-1792. 10.1039/c1sc00203a

Lam, K. F., Kassab, H., Pera-Titus, M., Yeung, K. L., Albela, B. and Bonneviot, L. 2011. MCM-41 “LUS”: alumina tubular membranes for metal separation in aqueous solution. Journal of Physical Chemistry C 115 (1) , pp. 176-187. 10.1021/jp1065874

Latimer, Joanna Elizabeth, Davis, Terence

, Bagley, Mark Christopher and Kipling, David Glyn 2011. Ageing science, health care and social inclusion of older people. Quality in Ageing and Older Adults 12 (1) , pp. 11-16. 10.5042/qiaoa.2011.0140

Lee, Adam Fraser, Ellis, C. V., Newton, M. A., Parletti, C. M and Wilson, Karen 2011. Nanoengineering the active site in heterogeneous catalysis. Abstracts of Papers of the American Chemical Society 242 , pp. 1-3.

Lee, Adam Fraser, Ellis, Christine Victoria, Naughton, James N., Newton, Mark A., Parlett, Christopher Michael A. and Wilson, Karen 2011. Reaction-driven surface restructuring and selectivity control in allylic alcohol catalytic aerobic oxidation over Pd. Journal of the American Chemical Society 133 (15) , pp. 5724-5727. 10.1021/ja200684f

Lee, Adam Fraser, Ellis, Christine Victoria, Newton, Mark A., Parlett, Christopher Michael A. and Wilson, Karen 2011. In-situ x-ray studies of clean catalytic technologies. Presented at: Surfaces and Nanomaterials for Catalysis through In-Situ or Ex-Situ Studies, San Francisco, CA, USA, 25 - 29 April 2011. Published in: Tao, F., Salmeron, M., Rodriguez, J. A. and Hu, J. eds. 2011 MRS Spring Meeting - Symposium FF – Surfaces and Nanomaterials for Catalysis through In-Situ or Ex-Situ Studies. MRS Proceedings. MRS Proceedings , vol.1351 (1351) Cambridge: Cambridge University Press, 10.1557/opl.2011.1170

Lescouet, Tristan, Kockrick, Emanuel, Bergeret, Gerard, Pera-Titus, Marc and Farrusseng, David 2011. Engineering MIL-53(Al) flexibility by controlling amino tags. Dalton Transactions 40 (43) , pp. 11359-11361. 10.1039/c1dt11700a

Less, Robert J., Melen, Rebecca L.

and Wright, Dominic S. 2011. Group 2 (Be-Ba) and Group 12 (Zn-Hg). Organometallic Chemistry : Volume 37 37 , pp. 100-114. 10.1039/9781849732802-00100

Li, Amang 2011. Investigations into the function of two plant sesquiterpene synthases: δ-cadinene synthase and (e)-β-farnesene synthase. PhD Thesis, Cardiff University.

Lim, Gin Keat, Fujii, Kotaro, Harris, Kenneth David Mclean

and Apperley, David C. 2011. Structure determination from Powder X-ray Diffraction Data of a new polymorph of a high-density organic hydrate material, with an assessment of Hydrogen-Bond Disorder by Rietveld Refinement. Crystal Growth and Design 11 (12) , pp. 5192-5199. 10.1021/cg201230k

Llewelyn, Peter.William 2011. Supported heteropoly acids for acid catalysed reactions. PhD Thesis, Cardiff University.

Lloyd, Rhys, Jenkins, Robert Leyshon, Piccinini, Marco

, He, Qian, Kiely, Christopher John

, Carley, Albert Frederick, Golunski, Stanislaw E.

, Bethell, Donald, Bartley, Jonathan Keith

2011. Low-temperature aerobic oxidation of decane using an oxygen-free radical initiator. Journal of Catalysis 283 (2) , pp. 161-167. 10.1016/j.jcat.2011.08.003

Logsdail, Andrew

and Akola, Jaakko 2011. Interaction of Au16Nanocluster with defects in supporting graphite: A density-functional study. Journal of Physical Chemistry C 115 (31) , p. 15240. 10.1021/jp203274a

Lopez-Sanchez, Jose Antonio, Dimitratos, Nikolaos

, Glanville, Neil P., Kesavan, Lokesh, Hammond, Ceri

, Carley, Albert Frederick, Kiely, Christopher John

2011. Reactivity studies of Au-Pd supported nanoparticles for catalytic applications. Applied Catalysis A: General 391 (1-2) , pp. 400-406. 10.1016/j.apcata.2010.05.010

Lopez-Sanchez, Jose Antonio, Dimitratos, Nikolaos

, Hammond, Ceri

, Brett, Gemma Louise, Kesavan, Lokesh, White, Saul, Miedziak, Peter John, Tiruvalam, Ramchandra, Jenkins, Robert Leyshon, Carley, Albert Frederick, Knight, David William, Kiely, Christopher John

2011. Facile removal of stabilizer-ligands from supported gold nanoparticles. Nature Chemistry 3 (7) , pp. 551-556. 10.1038/nchem.1066

University College Cardiff Consultants Ltd 2011. Hydrocarbon selective oxidation with heterogeneous gold catalysts. Patent WO 2011051642. [Patent].

Loveridge, Edric Joel and Allemann, Rudolf Konrad

2011. Effect of pH on Hydride Transfer by Escherichia coli Dihydrofolate Reductase. ChemBioChem 12 (8) , pp. 1258-1262. 10.1002/cbic.201000794

Loveridge, Edric Joel, Dawson, William Michael, Evans, Rhiannon Mari, Sobolewska, Anna and Allemann, Rudolf Konrad

2011. Reduced Susceptibility of Moritella profunda Dihydrofolate Reductase to Trimethoprim is Not Due to Glutamate 28. The Protein Journal 30 (8) , pp. 546-548. 10.1007/s10930-011-9361-x

Loveridge, Edric Joel, Tey, Lai-Hock, Behiry, Enas Mamdouh, Dawson, William Michael, Evans, Rhiannon Mari, Whittaker, Sara B.-M., Günther, Ulrich L., Williams, Christopher, Crump, Matthew P. and Allemann, Rudolf Konrad

2011. The role of large-scale motions in catalysis by dihydrofolate reductase. Journal of the American Chemical Society 133 (50) , pp. 20561-20570. 10.1021/ja208844j

Lu, Wei Ye, Cavell, Kingsley John, Wixey, James S. and Kariuki, Benson

2011. First examples of structurally imposing eight-membered-ring (diazocanylidene) N-heterocyclic carbenes: salts, free carbenes, and metal complexes. Organometallics 30 (21) , pp. 5649-5655. 10.1021/om200467x

Luciani, Silvia, Cavani, Fabrizio, Dal Santo, Vladimiro, Dimitratos, Nikolaos

, Rossi, Michele and Bianchi, Claudia L. 2011. The mechanism of surface doping in vanadyl pyrophosphate, catalyst for n-butane oxidation to maleic anhydride: The role of Au promoter. Catalysis Today 169 (1) , pp. 200-206. 10.1016/j.cattod.2010.12.050

Luk, Louis Yu Pan

, Qian, Qi and Tanner, Martin E. 2011. A cope rearrangement in the reaction catalyzed by dimethylallyltryptophan synthase? Journal of the American Chemical Society 133 (32) , pp. 12342-12345. 10.1021/ja2034969

Mahenthiralingam, Eshwar

, Song, Lijiang, Sass, Andrea, White, Judith, Wilmot, Ceri, Marchbank, Angela Maureen, Boaisha, Othman, Paine, James S., Knight, David William and Challis, Gregory L. 2011. Enacyloxins are products of an unusual hybrid modular polyketide synthase encoded by a cryptic burkholderia ambifaria genomic island. Chemistry & Biology 18 (5) , pp. 665-677. 10.1016/j.chembiol.2011.01.020

Mantle, M. D., Enache, Dan Ion, Nowicka, Ewa

, Davies, Scott, Edwards, Jennifer Kelly

, Dagostino, C., Mascarenhas, D. P., Durham, L., Meenakshisundaram, Sankar

, Knight, David William, Gladden, L. F., Taylor, Stuart H.

2011. Pulsed-field gradient NMR spectroscopic studies of alcohols in supported gold catalysts. Journal of Physical Chemistry C 115 (4) , pp. 1073-1079. 10.1021/jp105946q

Manvar, Atul, Bavishi, Abhay, Radadiya, Ashish

, Patel, Jignesh, Vora, Vipul, Dodia, Narshih, Rawal, Kena and Shah, Anamik 2011. Diversity oriented design of various hydrazides and their in vitro evaluation against Mycobacterium tuberculosis H37Rv strains. Biorganic and Medicinal Chemistry Letters 21 (16) , pp. 4728-4731. 10.1016/j.bmcl.2011.06.074

Marti-Rujas, Javier, Kariuki, Benson

, Hughes, Colan Evan, Morte-Ródenas, Anabel, Guo, Fang, Glavcheva-Laleva, Zornitza, Tastemur, Kemal, Ooi, Liling, Yeo, Lily and Harris, Kenneth David Maclean

2011. Structural diversity, but no polymorphism, in a homologous family of co-crystals of urea and α,ω-dihydroxyalkanes. New Journal of Chemistry 35 (7) , pp. 1515-1521. 10.1039/C1NJ20040B

Mason, T. J., Cobley, A. J., Graves, J. E. and Morgan, David John

2011. New evidence for the inverse dependence of mechanical and chemical effects on the frequency of ultrasound. Ultrasonics Sonochemistry 18 (1) , pp. 226-230. 10.1016/j.ultsonch.2010.05.008

McDyre, Lucia, Carter, Emma

, Cavell, Kingsley John, Murphy, Damien Martin

, Sampford, Katharine R., Ward, Benjamin David

, Gabrielli, William, Hanton, Martin J. and Smith, David M. 2011. Intramolecular formation of a CrI(bis-arene) species via TEA activation of [Cr(CO)4(Ph2P(C3H6)PPh2)]+: sn EPR and DFT investigation. Organometallics 30 (17) , pp. 4505-4508. 10.1021/om2006062

McDyre, Lucia Emma 2011. Mechanistic understanding of chromium-based oligomerisation catalysts: an EPR and ENDOR investigation. PhD Thesis, Cardiff University.

McKeown, Neil B. 2011. Molecular nanoporous crystals: Predictable porosity. Nature Materials 10 (8) , pp. 563-564. 10.1038/nmat3073

McKeown, Neil B. and Budd, Peter M. 2011. Polymers with inherent microporosity. Silverstein, Michael S., Cameron, Neil R. and Hillmyer, Marc A., eds. Porous Polymers, Hoboken, NJ: Wiley, pp. 1-29. (10.1002/9780470929445.ch1)

Meenakshisundaram, Sankar

, Tiruvalam, R., He, Qian

, Kiely, Christopher John

, Bethel, D., Knight, David William and Hutchings, Graham John

2011. Controlling the duality of the mechanism in liquid-phase oxidation of benzyl alcohol catalysed by supported Au-Pd nanoparticles. Chemistry - A European Journal 17 (23) , pp. 6524-6532. 10.1002/chem.201003484

Melen, Rebecca L.

, McPartlin, Mary and Wright, Dominic S. 2011. An unexpected dependence on the SnII base; reactions of Sn(NR2)2 with aromatic dithiols. Dalton Transactions 40 (8) , pp. 1649-1651. 10.1039/c0dt01690j

Mella, Massimo, Izzo, Lorella and Capacchione, Carmine 2011. Role of the Metal Center in the Ethylene Polymerization Promoted by Group 4 Complexes Supported by a Tetradentate [OSSO]-Type Bis(phenolato) Ligand. ACS Catalysis 1 (11) , pp. 1460-1468. 10.1021/cs200333z

Mendes, Filipa, Groessl, Michael, Nazarov, Alexey A., Tsybin, Yury O., Sava, Gianni, Santos, Isabel, Dyson, Paul J. and Casini, Angela

2011. Metal-based inhibition of poly(ADP-ribose) polymerase: the guardian angel of DNA. Journal of Medicinal Chemistry 54 (7) , pp. 2196-2206. 10.1021/jm2000135

Michael, Daryn Robert, Phillips, Aled Owain

, Krupa, Aleksandra, Martin, John, Redman, James Edward

, Altaher, Abdalsamed, Neville, Rachel Dawn, Webber, Jason P.

, Kim, Min-Young and Bowen, Timothy

2011. The human hyaluronan synthase 2 (HAS2) gene and its natural antisense RNA exhibit coordinated expression in the renal proximal tubular epithelial cell. Journal of Biological Chemistry 286 (22) , pp. 19523-19532. 10.1074/jbc.M111.233916

Miedziak, Peter John, He, Qian

, Knight, David William, Tarbit, B., Kiely, Christopher John

2011. Oxidation of benzyl alcohol using supported gold-palladium nanoparticles. Catalysis Today 163 (1) , pp. 47-54. 10.1016/j.cattod.2010.02.051

Miedziak, Peter John, Meenakshisundaram, Sankar

, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Carley, Albert Frederick, Knight, David William, Taylor, Stuart H.

, Kiely, Christopher John

2011. Oxidation of benzyl alcohol using supported gold-palladium nanoparticles. Catalysis Today 164 (1) , pp. 315-319. 10.1016/j.cattod.2010.10.028

Millet, Coralie Ode, Lloyd, David

, Coogan, Michael Peter, Randall, Joanna and Cable, Joanne

2011. Carbohydrate and amino acid metabolism of Spironucleus vortens. Experimental Parasitology 129 (1) , pp. 17-26. 10.1016/j.exppara.2011.05.025

Mirkhalaf, Fakhradin, Mason, Timothy J., Morgan, David John

and Saez, Veronica 2011. Frequency Effects on the Surface Coverage of Nitrophenyl Films Ultrasonically Grafted onto Indium Tin Oxide. Langmuir 27 (5) , pp. 1853-1858. 10.1021/la104402z

Mohamed, Azmi, Sagisaka, Masanobu, Guittard, Frederic, Cummings, Stephen, Paul, Alison

, Rogers, Sarah E., Heenan, Richard K., Dyer, Robert and Eastoe, Julian 2011. Low Fluorine Content CO2-philic Surfactants. Langmuir 27 (17) , pp. 10562-10569. 10.1021/la2021885

Mohapatra, Debendra K., Pattanayak, Manas R., Das, Pragna P., Pradhan, Tapas R.

and Yadav, J. S. 2011. Ring-closing metathesis (RCM) based synthesis of the macrolactone core of amphidinolactone A. Organic and Biomolecular Chemistry 9 (16) , pp. 5630-5632. 10.1039/c1ob05335c

Moore, Jennifer R., Albert-Seifried, Sebastian, Rao, Akshay, Massip, Sylvain, Watts, Benjamin, Morgan, David John

, Friend, Richard H., McNeill, Christopher R. and Sirringhaus, Henning 2011. Polymer Blend Solar Cells Based on a High-Mobility Naphthalenediimide-Based Polymer Acceptor: Device Physics, Photophysics and Morphology. Advanced Energy Materials 1 (2) , pp. 230-240. 10.1002/aenm.201000035

Moreno, Elsa, Gabano, Elisabetta, Torres, Enrique, Platts, James Alexis

, Ravera, Mauro, Aldana, Ignacio, Monge, Antonio and Perez-Silanes, Silvia 2011. Studies on log pow of quinoxaline di-N-Oxides: a comparison of RP-HPLC experimental and predictive approaches. Molecules 16 (9) , pp. 7893-7908. 10.3390/molecules16097893

Morris, Christopher John, Smith, Mathew W.

, Griffiths, Peter Charles, McKeown, Neil B. and Gumbleton, Mark

2011. Enhanced pulmonary absorption of a macromolecule through coupling to a sequence-specific phage display-derived peptide. Journal of Controlled Release 151 (1) , pp. 83-94. 10.1016/j.jconrel.2010.12.003

Möschwitzer, Vicki Doreen 2011. Synthesis of guanidine amino acids and investigation of their interactions with nucleic acid. PhD Thesis, Cardiff University.
Item availability restricted.

Muegge, Carolin, Rothenburger, Claudia, Beyer, Antje, Goerls, Helmar, Gabbiani, Chiara, Casini, Angela

, Michelucci, Elena, Landini, Ida, Nobili, Stefania, Mini, Enrico, Messori, Luigi and Weigand, Wolfgang 2011. Structure, solution chemistry, antiproliferative actions and protein binding properties of non-conventional platinum(II) compounds with sulfur and phosphorus donors. Dalton Transactions 40 (9) , pp. 2006-2016. 10.1039/C0DT00845A

Muroni, Maurizio 2011. Rational design of artificial enzymes. PhD Thesis, Cardiff University.

Murphy, Damien Martin

, Caretti, Ignacio, Carter, Emma

, Göbel, Marcus, Landon, James Hugh, Doorslaer, Sabine Van and Willock, David James

2011. Visualizing diastereomeric interactions of chiral amine-chiral copper salen adducts by EPR spectroscopy and DFT. Inorganic Chemistry 50 (15) , pp. 6944-6955. 10.1021/ic200113u

Murphy, Damien Martin

, McDyre, Lucia, Carter, Emma

, Stasch, Andreas

and Jones, Cameron 2011. A CW-EPR, ENDOR and special TRIPLE resonance study of a novel magnesium ketyl radical. Magnetic Resonance in Chemistry 49 (4) , pp. 159-163. 10.1002/mrc.2721

Murphy, Damien Martin

, McNamara, Kenneth, Richardson, Patricia, Sanchez-Romaguera, Veronica, Winpenny, Richard E.P. and Yellowlees, Lesley J. 2011. Electrochemical and spectroelectrochemical studies of complexes of 1,10-phenanthroline-5,6-dione. Inorganica Chimica Acta 374 (1) , pp. 435-441. 10.1016/j.ica.2011.02.050

Mutter, Shaun Thomas and Platts, James Alexis

2011. Density functional theory studies of interactions of ruthenium arene complexes with base pair steps. Journal of Physical Chemistry A 115 (41) , pp. 11293-11302. 10.1021/jp2049487

Narduolo, Stefania 2011. The mechanism of racemisation of 5-substituted hydantoins in aqueous solution. PhD Thesis, Cardiff University.

Natividad, Gaudencio M., Broadley, Kenneth John

, Kidd, Emma Jane

, Ford, William Richard

and Simons, Claire

2011. Actions of Artemisia vulgaris extracts and isolated sesquiterpene lactones against receptors mediating contraction of guinea pig ileum and trachea. Journal of Ethnopharmacology 137 (1) , pp. 808-816. 10.1016/j.jep.2011.06.042

Naughton, James, Pratt, Andrew, Woffinden, Charles W., Eames, Christopher, Tear, Steve P., Thompson, Sarah M., Lee, Adam Fraser and Wilson, Karen 2011. Metastable De-excitation Spectroscopy and Density Functional Theory Study of the Selective Oxidation of Crotyl Alcohol over Pd(111). Journal of Physical Chemistry C 115 (51) , pp. 25290-25297. 10.1021/jp205340z

Nekoofar, Mohammad Hossein, Davies, T. E., Stone, David C., Basturk, F. B. and Dummer, Paul Michael Howell

2011. Microstructure and chemical analysis of blood-contaminated mineral trioxide aggregate. International Endodontic Journal 44 (11) , pp. 1011-1018. 10.1111/j.1365-2591.2011.01909.x

Newman, Paul David

, Cavell, Kingsley John, Hallett, Andrew Jon and Kariuki, Benson

2011. Rhodium and iridium complexes of an asymmetric bicyclic NHC bearing secondary pyridyl donors. Dalton Transactions 40 (35) , pp. 8807-8813. 10.1039/C1DT10582E

Nicolas, C.-H., Sublet, J., Schuurman, Y. and Pera-Titus, M. 2011. Role of adsorption and diffusion pathways on the CO2/N2 separation performance of nanocomposite (B)-MFI-alumina membranes. Chemical Engineering Science 66 (23) , pp. 6057-6068. 10.1016/j.ces.2011.08.028

Ntainjua Ndifor, Edwin, Davies, Thomas Edward, Garcia, Tomas, Solsona, Benjamin Espriu and Taylor, Stuart H.

2011. The Influence of platinum addition on nano-crystalline ceria catalysts for the total oxidation of naphthalene a model polycyclic aromatic hydrocarbon. Catalysis Letters 141 (12) , pp. 1732-1738. 10.1007/s10562-011-0710-3

Ntainjua Ndifor, Edwin, Piccinini, Marco

, Pritchard, James Charles, Edwards, Jennifer Kelly

, Carley, Albert Frederick, Kiely, Christopher John

2011. Direct synthesis of hydrogen peroxide using ceria-supported gold and palladium catalysts. Catalysis Today 178 (1) , pp. 47-50. 10.1016/j.cattod.2011.06.024

Onel, Lavinia and Buurma, Niklaas Jan

2011. The Nature of the Sodium Dodecylsulfate Micellar Pseudophase as Studied by Reaction Kinetics. Journal of Physical Chemistry B 115 (45) , pp. 13199-13211. 10.1021/jp208171w

Othman, Mazin Abdulkhaliq 2011. The palladium-catalysed aerobic oxidative homocoupling reaction of arylboronic acids in aqueous micellar medium: kinetic and mechanistic studies. PhD Thesis, Cardiff University.

Overgaard, Jacob, Jones, Cameron, Dange, Deepak and Platts, James Alexis

2011. Experimental Charge Density Analysis of a Gallium(I) N-Heterocyclic Carbene Analogue. Inorganic Chemistry 50 (17) , pp. 8418-8426. 10.1021/ic2009946

Pagliaro, Mario and Hutchings, Graham John

2011. Heterogeneous catalysis for fine chemicals [Editorial]. Catalysis Science & Technology 1 (9) , p. 1543. 10.1039/c1cy90035h

Palmer, Benjamin A., Morte-Ródenas, Anabel, Kariuki, Benson

and Collins, Stephen P. 2011. X-ray birefringence from a model anisotropic crystal. Journal of Physical Chemistry Letters 2 (18) , pp. 2346-2351. 10.1021/jz201026z

Palmer, Benjamin Alexander, Kariuki, Benson

, Muppidi, Vamsee Krishna, Hughes, Colan Evan and Harris, Kenneth David Maclean

2011. An incommensurate thiourea inclusion compound. Chemical Communications- Royal Society of Chemistry 47 (13) , pp. 3760-3762. 10.1039/C0CC05477A

Pandey, Priyanka A., Bell, Gavin R., Rourke, Jonathan P.

, Sanchez, Ana M., Elkin, Mark D., Hickey, Bryan J. and Wilson, Neil R. 2011. Physical vapor deposition of metal nanoparticles on chemically modified graphene: observations on metal-graphene interactions. Small 7 (22) , pp. 3202-3210. 10.1002/smll.201101430

United States of America as represented by the Secretary of the Department of Health and Human Services; Centers for Disease Control and Prevention; Creare Inc. 2011. Aerosol delivery systems and methods. Patent US 07954486. [Patent].

Parekh, Shrey, Bhavsar, Dhairya, Savant, Mahesh, Thakrar, Shailesh, Bavishi, Abhay, Parmar, Manisha, Vala, Hardevsinh, Radadiya, Ashish

, Pandya, Nilay, Serly, Juliana, Molnár, Joseph and Shah, Anamik 2011. Synthesis of some novel benzofuran-2-yl(4,5-dihyro-3,5-substituted diphenylpyrazol-1-yl) methanones and studies on the antiproliferative effects and reversal of multidrug resistance of human MDR1-gene transfected mouse lymphoma cells in vitro. European Journal of Medicinal Chemistry 46 (5) , pp. 1942-1948. 10.1016/j.ejmech.2011.02.045

Parlett, Christopher Michael A., Bruce, Duncan W., Hondow, Nicole S., Lee, Adam Fraser and Wilson, Karen 2011. Support-enhanced selective aerobic alcohol oxidation over Pd/mesoporous silicas. ACS Catalysis 1 (6) , pp. 636-640. 10.1021/cs200145n

Pasini, Thomas, Piccinini, Marco

, Blosi, Magda, Bonelli, Rosa, Albonetti, Stefania, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Sankar, Meenakshisundaram, He, Qian

, Kiely, Christopher John

and Cavani, Fabrizio 2011. Selective oxidation of 5-hydroxymethyl-2-furfural using supported gold-copper nanoparticles. Green Chemistry 13 (8) , pp. 2091-2099. 10.1039/c1gc15355b

Patel, Bhaven, Carlisle, Julie, Bottle, Steven E., Hanson, Graeme R., Kariuki, Benson

, Male, Louise, McMurtrie, John C., Spencer, Neil and Grainger, Richard S. 2011. In search of a new class of stable nitroxide: synthesis and reactivity of a peri-substituted N,N-bissulfonylhydroxylamine. Organic & Biomolecular Chemistry 9 (7) , pp. 2336-2344. 10.1039/c0ob00976h

Patra, Tuhin, Manna, Srimanta and Maiti, Debabrata 2011. Metal-mediated deformylation reactions: synthetic and biological avenues. Angewandte Chemie International Edition 50 (51) , pp. 12140-12142. 10.1002/anie.201103860

Patrone, Marta and Mella, Massimo 2011. Sequential growth simulation of (NH3)n clusters (n=2-8) in ultracold superfluid environment. Chemical Physics Letters 514 (1-3) , pp. 16-20. 10.1016/j.cplett.2011.07.086

Pera-Titus, M. 2011. Thermodynamic analysis of type VI adsorption isotherms in MFI zeolites. Journal of Physical Chemistry C 115 (8) , pp. 3346-3357. 10.1021/jp109449q

Pettit, Marie W., Griffiths, Peter Charles, Ferruti, Paolo and Richardson, Simon C. W. 2011. Poly(amidoamine) polymers: soluble linear amphiphilic drug-delivery systems for genes, proteins and oligonucleotides. Therapeutic Delivery 2 (7) , pp. 907-917. 10.4155/tde.11.55

Platts, James Alexis

, Ermondi, Giuseppe, Caron, Giulia, Ravera, Mauro, Gabano, Elisabetta, Gaviglio, Luca, Pelosi, Georgio and Osella, Domenico 2011. Molecular and statistical modeling of reduction peak potential and lipophilicity of platinum(IV) complexes. Journal of Biological Inorganic Chemistry 16 (3) , pp. 361-372. 10.1007/s00775-010-0731-1

Platts, James Alexis

, Overgaard, Jacob, Jones, Cameron, Iversen, Bo B. and Stasch, Andreas

2011. First experimental characterization of a non-nuclear attractor in a dimeric magnesium(I) compound. Journal of Physical Chemistry A 115 (2) , pp. 194-200. 10.1021/jp109547w

Pradal, J., Jordan, O., Gabay, C., Guerne, P. A., Bagley, Mark Christopher, Doelker, E., Allemann, E. and Waldburger, J. M. 2011. In vitro activity of P38 MAPK inhibitor-loaded particles for the long term intra-articular treatment of osteoarthritis [Abstract]. Annals of the Rheumatic Diseases 70 (S2) , A78-A79. 10.1136/ard.2010.149013.26

Prohens, Rafel, Portell, Anna, Puigjaner, Cristina, Tomas, Salvador, Fujii, Kotaro, Harris, Kenneth David Maclean

, Alcobe, Xavier, Font-Bardia, Merce and Barbas, Rafael 2011. Cooperativity in Solid-State Squaramides. Crystal Growth and Design 11 (9) , pp. 3725-3730. 10.1021/cg200772e

Pygall, Samuel R., Griffiths, Peter Charles, Wolf, Bettina, Timmins, Peter and Melia, Colin D. 2011. Solution interactions of diclofenac sodium and meclofenamic acid sodium with hydroxypropyl methylcellulose (HPMC). International Journal of Pharmaceutics 405 (1-2) , pp. 55-62. 10.1016/j.ijpharm.2010.11.043

Rasheed, Munawwer, Elmore, Simon C. and Wirth, Thomas

2011. Asymmetric reactions in flow reactors. Gruttadauria, Michelango and Giacalone, Francesco, eds. Catalytic Methods in Asymmetric Synthesis: Advanced Materials, Techniques, and Applications, Hoboken: Wiley, pp. 345-371. (10.1002/9781118087992.ch8)

Rasheed, Munawwer and Wirth, Thomas

2011. Intelligent Microflow: Development of Self-Optimizing Reaction Systems. Angewandte Chemie - International Edition 50 (2) , pp. 357-358. 10.1002/anie.201006107

Rasheed, Munawwer and Wirth, Thomas

2011. Fast optimisation of a Diels-Alder reaction in a flow microreactor by in-line HPLC analysis. Chimica Oggi - Chemistry Today 29 (3) , pp. 53-55.

Rees, Neil Vaughan, Taylor, Robert J., Jiang, Yu-Xiong, Morgan, Ian Rhys

, Knight, David William and Attard, Gary Anthony 2011. In situ surface-enhanced Raman spectroscopic studies and electrochemical reduction of α-ketoesters and self condensation products at platinum surfaces. Journal of Physical Chemistry C 115 (4) , pp. 1163-1170. 10.1021/jp106495b

Rehbein, Julia and Carpenter, Barry K.

2011. Do we fully understand what controls chemical selectivity? Physical Chemistry Chemical Physics 13 (47) , pp. 20906-20922. 10.1039/c1cp22565k

Ren, Jia, Wang, Wenzhong, Shang, Meng, Sun, Songmei and Gao, Erping 2011. Heterostructured Bismuth Molybdate Composite: Preparation and Improved Photocatalytic Activity under Visible-Light Irradiation. ACS Applied Materials and Interfaces 3 (7) , 2529--2533. 10.1021/am200393h

Ren, Jia, Wang, Wenzhong, Sun, Songmei, Zhang, Ling, Wang, Lu and Chang, Jiang 2011. Crystallography Facet-Dependent Antibacterial Activity: The Case of Cu2O. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 50 (17) , 10366--10369. 10.1021/ie2005466

Richardson, Robert David, Holland, Edward James and Carpenter, Barry K.

2011. A renewable amine for photochemical reduction of CO2. Nature Chemistry 3 (4) , pp. 301-303. 10.1038/nchem.1000

Rickard, David Terence

, Hatton, Bryan, Murphy, Damien Martin

, Butler, Ian, Oldroyd, Anthony and Hann, Anthony 2011. FeS-induced radical formation and its effect on plasmid DNA. Aquatic Geochemistry 17 (4-5) , pp. 545-566. 10.1007/s10498-010-9116-x

Roberts, Meirion Wyn 2011. Heterogeneously catalysed oxidation reactions with P450-like characteristics; radical reactions and the "elusive" oxygen state. Catalysis Letters 141 (3) , pp. 365-369. 10.1007/s10562-010-0474-1

Robinson, James B. and Knowles, Peter James

2011. Approximate variational coupled cluster theory. Journal of Chemical Physics 135 (4) , 044113. 10.1063/1.3615060

Roldan Martinez, Alberto

, Illas, Francesc, Tarakeshwar, Pilarisetty and Mujica, Vladimiro 2011. Stability and quenching of plasmon resonance absorption in magnetic gold nanoparticles. The Journal of Physical Chemistry Letters 2 (23) , pp. 2996-3001. 10.1021/jz201326k

Roldan Martinez, Alberto

, Ricart, Josep M. and Illas, Francesc 2011. Origin of the size dependence of Au nanoparticles toward molecular oxygen dissociation. Theoretical Chemistry Accounts 128 (4-6) , pp. 675-681. 10.1007/s00214-010-0806-7

Rourke, Jonathan P.

, Pandey, Priyanka A., Moore, Joseph J., Bates, Matthew, Kinloch, Ian A., Young, Robert J. and Wilson, Neil R. 2011. The real graphene oxide revealed: Stripping the oxidative debris from the graphene-like sheets. Angewandte Chemie International Edition 50 (14) , pp. 3173-3177. 10.1002/anie.201007520

Rouziere, Anne-Sophie and Redman, James Edward

2011. A practical workshop for generating simple DNA fingerprints of plants. Biochemistry and Molecular Biology Education 39 (3) , pp. 204-210. 10.1002/bmb.20486

Ryabenkova, Yulia 2011. Selective oxidation of 1,2-propanediol over gold, palladium and platinum heterogeneous catalysts. PhD Thesis, Cardiff University.

Sá, Jacinto, Goguet, Alexandre, Taylor, S. F. Rebecca, Tiruvalam, Ramchandra, Kiely, Christopher John

, Nachtegaal, Maarten, Hutchings, Graham John

and Hardacre, Christopher 2011. Influence of methyl halide treatment on gold nanoparticles supported on activated carbon. Angewandte Chemie - International Edition 50 (38) , pp. 8912-8916. 10.1002/anie.201102066

Saad, Fawaz Ahmed 2011. Co-ordination chemistry of novel tripodal ligands designed to host anions. PhD Thesis, Cardiff University.

Samulis, Leopold 2011. Research and development of imidazolidinone organocatalysts. PhD Thesis, Cardiff University.

Sans, Victor, Moskalenko, Andriy, Wilson, Karen, Kozhevin, Vladimir, Yavsin, Denis, Kuzmin, Igor, Gurevich, Sergey and Lapkin, Alexei 2011. SE(R)RS devices fabricated by a laser electrodispersion method. Analyst 136 (16) , pp. 3295-3302. 10.1039/C1AN15378A

Santillan-Jimenez, Eduardo, Miljkovic-Kocic, Vladimir, Crocker, Mark and Wilson, Karen 2011. Carbon nanotube-supported metal catalysts for NOx reduction using hydrocarbon reductants. Part 1: Catalyst preparation, characterization and NOx reduction characteristics. Applied Catalysis B-Environmental 102 (1-2) , pp. 1-8. 10.1016/j.apcatb.2010.09.032

Schnabel, C., Sterz, K., Müller, H., Rehbein, Julia, Wiese, M. and Hiersemann, M. 2011. Total Synthesis of Natural and Non-Natural Delta(5,6)Delta(12,13)-Jatrophane Diterpenes and Their Evaluation as MDR Modulators. Journal of Organic Chemistry 76 (2) , pp. 512-522. 10.1021/jo1019738

Sellick, David Richard 2011. Oxidative destruction of volatile organic compounds using heterogeneous catalysis. PhD Thesis, Cardiff University.

Shalabi, Ahmed Fekri Abdel 2011. New synthetic reactions, involving the use of solids. PhD Thesis, Cardiff University.

Shamsuddin, Siti-Ros, Ho, Kingsley K.C., Ng, Peter, Lee, Adam Fraser and Bismarck, Alexander 2011. Synergy of matrix and fibre modification on adhesion between carbon fibres and poly(vinylidene fluoride). Composites Science and Technology 72 (1) , pp. 56-64. 10.1016/j.compscitech.2011.09.017

Shang, Meng, Wang, Wenzhong, Ren, Jia, Sun, Songmei and Zhang, Ling 2011. Nanoscale Kirkendall effect for the synthesis of Bi2MoO6 boxes via a facile solution-phase method. Nanoscale 3 (4) , p. 1474. 10.1039/c0nr00974a

Sharland, Christopher Mark, Singkhonrat, Jirada

, Najeebullah, Muhammad, Hayes, Simon, Knight, David William and Dunford, Damian Gordon 2011. An efficient and general synthesis of pyrroles. Tetrahedron Letters 52 (18) , pp. 2320-2323. 10.1016/j.tetlet.2011.02.085

Sharma, Pankaj

and Chung, Wook-Jin 2011. Synthesis of MEL type zeolite with different kinds of morphology for the recovery of 1-butanol from aqueous solution. Desalination 275 (1-3) , pp. 172-180. 10.1016/j.desal.2011.02.049

Sharma, Pankaj

and Kaur, Harleen 2011. Sugarcane bagasse for the removal of erythrosin B and methylene blue from aqueous waste. Applied Water Science 1 (3-4) , pp. 135-145. 10.1007/s13201-011-0018-x

Sharma, Pankaj

, Kaur, Harleen, Sharma, Monika

and Sahore, Vishal 2011. A review on applicability of naturally available adsorbents for the removal of hazardous dyes from aqueous waste. Environmental Monitoring and Assessment 183 (1-4) , pp. 151-195. 10.1007/s10661-011-1914-0

Sharma, Pankaj

and Neetu 2011. Synthesis, characterization and sorption behavior of zirconium(IV) antimonotungstate: An inorganic ion exchanger. Desalination 267 (2-3) , pp. 277-285. 10.1016/j.desal.2010.09.040

Sharma, Pankaj

and Tomar, Radha 2011. Sorption behaviour of nanocrystalline MOR type zeolite for Th(IV) and Eu(III) removal from aqueous waste by batch treatment. Journal of Colloid and Interface Science 362 (1) , pp. 144-156. 10.1016/j.jcis.2011.06.030

Short, Rhys Bryan, Carta, Mariolino

, Bezzu, Caterina Grazia, Fritsch, Detlev, Kariuki, Benson

and McKeown, Neil B. 2011. Hexaphenylbenzene-based polymers of intrinsic microporosity. Chemical Communications 47 (24) , pp. 6822-6824. 10.1039/c1cc11717c

Simova, Zuzana 2011. Importance of single molecular determinant in bacterial tryptophanyl-tRNA synthetase fidelity in expanded genetic code. PhD Thesis, Cardiff University.

Singh, Fateh V. and Wirth, Thomas

2011. Selenium compounds as ligands and catalysts. Wirth, Thomas, ed. Organoselenium Chemistry: Synthesis and Reactions, Weinheim: Wiley-VCH, pp. 321-360.

Singh, Fateh V. and Wirth, Thomas

2011. Selenium-catalyzed regioselective cyclization of unsaturated carboxylic acids using hypervalent iodine oxidants. Organic Letters 13 (24) , pp. 6504-6507. 10.1021/ol202800k

Singh, Fateh V. and Wirth, Thomas

2011. Stereoselective reactions of organoselenium reagents including catalysis. Patai's Chemistry of Functional Groups, John Wiley & Sons, (10.1002/9780470682531.pat0573)

Smith, Andrew, Joannesse, Caroline, Morrill, Louis

, Campbell, Craig and Slawin, Alexandra 2011. Isothiourea-catalyzed asymmetric O- to C-carboxyl transfer of furanyl carbonates. Synthesis (Stuttgart) 2011 (12) , pp. 1865-1879. 10.1055/s-0030-1260602

Smith, Keith, Balakit, Asim Alaa Abdalhussein, Pardasani, Ramchand T. and El-Hiti, Gamal A. 2011. New polymeric sulfide-borane complexes: convenient hydroborating and reducing reagents. Journal of Sulfur Chemistry 32 (4) , pp. 287-295. 10.1080/17415993.2011.590489

Smith, Keith and El-Hiti, Gamal A. 2011. Use of zeolites for greener and more para-selective electrophilic aromatic substitution reactions. Green Chemistry 13 (7) , pp. 1579-1608. 10.1039/C0GC00689K

Smith, Keith, El-Hiti, Gamal A. and Al Zuhairi, Ali Jassim 2011. The synthesis of polymeric sulfides by reaction of dihaloalkanes with sodium sulfide. Journal of Sulfur Chemistry 32 (6) , pp. 521-531. 10.1080/17415993.2011.616589

Smith, Keith, El-Hiti, Gamal A., Hegazy, Amany Saber and Kariuki, Benson

2011. A simple and convenient one-pot synthesis of substituted isoindolin-1-ones via lithiation, substitution and cyclization of N'-benzyl-N,N-dimethylureas. Beilstein Journal of Organic Chemistry 7 , pp. 1219-1227. 10.3762/bjoc.7.142

Snelders, Dennis J. M., Casini, Angela

, Edafe, Fabio, van Koten, Gerard, Gebbink, Robertus J. M. Klein and Dyson, Paul J. 2011. Ruthenium(II) arene complexes with oligocationic triarylphosphine ligands: synthesis, DNA interactions and in vitro properties. Journal of Organometallic Chemistry 696 (5) , pp. 1108-1116. 10.1016/j.jorganchem.2010.11.025

Solsona, B., Aylon, E., Murillo, R., Mastral, A. M., Monzonis, A., Agouram, S., Davies, T. E., Taylor, S. H.

and Garcia, T. 2011. Deep oxidation of pollutants using gold deposited on a high surface area cobalt oxide prepared by a nanocasting route. Journal of Hazardous Materials 187 (1-3) , pp. 544-552. 10.1016/j.jhazmat.2011.01.073

Solsona, Benjamín, Garcia, Tomás, Aylón, Elvira, Dejoz, Ana M., Vázquez, Isabel, Agouram, Said, Davies, Thomas Edward and Taylor, Stuart H.

2011. Promoting the activity and selectivity of high surface area Ni-Ce-O mixed oxides by gold deposition for VOC catalytic combustion. Chemical Engineering Journal 175 , pp. 271-278. 10.1016/j.cej.2011.09.104

Solsona, B., Garcia, T., Agouram, S., Hutchings, Graham John

2011. The effect of gold addition on the catalytic performance of copper manganese oxide catalysts for the total oxidation of propane. Applied Catalysis B - Environmental 101 (3-4) , pp. 388-396. 10.1016/j.apcatb.2010.10.008

Speight, R. J., Rourke, J. P.

, Wong, A., Barrow, N. S., Ellis, P. R., Bishop, P. T. and Smith, M. E. 2011. (1)H and (13)C solution- and solid-state NMR investigation into wax products from the Fischer-Tropsch process. Solid State Nuclear Magnetic Resonance 39 (3-4) , pp. 58-64. 10.1016/j.ssnmr.2011.03.008

Stepanenko, Iryna N., Casini, Angela

, Edafe, Fabio, Novak, Maria S., Arion, Vladimir B., Dyson, Paul J., Jakupec, Michael A. and Keppler, Bernhard K. 2011. Conjugation of organoruthenium(II) 3-(1H-Benzimidazol-2-yl)pyrazolo[3,4-b]pyridines and indolo[3,2-d]benzazepines to recombinant human serum albumin: a strategy to enhance Cytotoxicity in Cancer Cells. Inorganic Chemistry 50 (24) , pp. 12669-12679. 10.1021/ic201801e

Stone, Samuel Leigh 2011. Investigating electron tunnelling using path integral Monte Carlo. MPhil Thesis, Cardiff University.
Item availability restricted.

Sun, Songmei, Wang, Wenzhong, Xu, Jiehui, Wang, Lu and Zhang, Zhijie 2011. Highly efficient photocatalytic oxidation of phenol over ordered mesoporous Bi2WO6. Applied Catalysis B: Environmental 106 (3-4) , 559--564. 10.1016/j.apcatb.2011.06.016

Taladriz Blanco, Patricia, Buurma, Niklaas Jan

, Rodriguez Lorenzo, Laura, Perez Juste, Jorge, Liz Marzan, Luis and Herves, Pablo 2011. Reversible assembly of metal nanoparticles induced by penicillamine. Dynamic formation of SERS hot spots. Journal of Materials Chemistry 21 (42) , pp. 16880-16887. 10.1039/C1JM12175H

Tang, Zirong, Kondrat, Simon A., Dickinson, C., Bartley, Jonathan Keith

, Davies, Thomas Edward, Allix, M., Rosseinsky, M. J., Claridge, J. B., Xu, Z., Romani, S., Crudace, M. J. and Hutchings, Graham John

2011. Synthesis of high surface area CuMn2O4 by supercritical anti-solvent precipitation for the oxidation of CO at ambient temperature. Catalysis Science & Technology 1 (5) , pp. 740-746. 10.1039/c1cy00064k

Taufiq-Yap, Y. H., Goh, C. K., Hutchings, Graham John

2011. Influence of Milling Media on the Physicochemicals and Catalytic Properties of Mechanochemical Treated Vanadium Phosphate Catalysts. Catalysis Letters 141 (3) , pp. 400-407. 10.1007/s10562-010-0508-8

Taufiq-Yap, Y.H., Asrina, S. Nor, Hutchings, Graham

and Bartley, Jonathan

2011. Effect of tellurium promoter on vanadium phosphate catalyst for partial oxidation of n-butane. Journal of Natural Gas Chemistry 20 (6) , pp. 635-638. 10.1016/S1003-9953(10)60251-4

Taylor, Robert J., Jiang, Yu Xiong, Rees, Neil Vaughan, Attard, Gary Anthony, Jeffery, Edward Laurence and Willock, David James

2011. Enantioselective hydrogenation of α-ketoesters: an in situ surface-enhanced Raman spectroscopy (SERS) study. Journal of Physical Chemistry C 115 (43) , pp. 21363-21372. 10.1021/jp208403g

Thetford, Adam, Hutchings, Graham John

2011. The decomposition of H2O2 over the components of Au/TiO2 catalysts. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 467 (2131) , pp. 1885-1899. 10.1098/rspa.2010.0561

Thomas, Adrian, He, Qian

and Edwards, Jennifer Kelly

2011. Preparation of ultra low loaded Au catalysts for oxidation reactions. Faraday Discussions 152 , pp. 381-392. 10.1039/c1fd00021g

Thomas, H.R., Deeth, R.J., Clarkson, G.J. and Rourke, J.P.

2011. Palladium(II) Agostic Complex: Exchange of Aryl-Pd and Alkyl-Pd Bonds. Organometallics 30 (21) , pp. 5641-5648. 10.1021/om200451v

Thorp-Greenwood, Flora Lottie and Coogan, Michael Peter 2011. Multimodal radio- (PET/SPECT) and fluorescence imaging agents based on metallo-radioisotopes: current applications and prospects for development of new agents. Dalton Transactions 40 (23) , pp. 6129-6143. 10.1039/c0dt01398f

Thorp-Greenwood, Flora Lottie, Fernández-Moreira, Vanesa, Millet, Coralie Ode, Williams, Catrin Ffion

, Cable, Joanne

, Court, Jonathan B., Hayes, Anthony Joseph, Lloyd, David

and Coogan, Michael Peter 2011. A 'Sleeping Trojan Horse' which transports metal ions into cells, localises in nucleoli, and has potential for bimodal fluorescence/PET imaging. Chemical Communications 47 (11) , pp. 3096-3098. 10.1039/c1cc10141b

Tiruvalam, R. C., Pritchard, James Charles, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Edwards, Jennifer Kelly

and Kiely, Christopher John

2011. Aberration corrected analytical electron microscopy studies of sol-immobilized Au + Pd, Au{Pd} and Pd{Au} catalysts used for benzyl alcohol oxidation and hydrogen peroxide production. Faraday Discussions 152 , pp. 63-86. 10.1039/c1fd00020a

Troendlin, J., Rehbein, Julia, Hiersemann, M. and Trapp, O. 2011. Integration of Catalysis and Analysis is the Key: Rapid and Precise Investigation of the Catalytic Asymmetric Gosteli-Claisen Rearrangement. Journal of the American Chemical Society 133 (41) , pp. 16444-16450. 10.1021/ja207091x

Tsai, Yu-Hsuan

, Götze, Sebastian, Azzouz, Nahid, Hahm, Heung Sik, Seeberger, Peter H. and Varon Silva, Daniel 2011. A general method for synthesis of GPI anchors illustrated by the total synthesis of the low-molecular-weight antigen from toxoplasma gondii. Angewandte Chemie - International Edition 50 (42) , pp. 9961-9964. 10.1002/anie.201103483

Uhlrich, J. J., Sainio, J., Lei, Y., Edwards, Dyfan, Davies, Robert J., Bowker, Michael

, Shaikhutdinov, S. and Freund, H.-J. 2011. Preparation and characterization of iron-molybdate thin films. Surface Science 605 (15-16) , pp. 1550-1555. 10.1016/j.susc.2011.05.028

Uosis-Martin, Mario, Mahon, Mary, Yevglevskis, Maksims and Lewis, Simon 2011. Concise synthesis of 1,4a-bifunctionalised decalin building blocks by C-H activation of decalin. SYNLETT 2011 (15) , pp. 2211-2213. 10.1055/s-0030-1261184

Upadhyay, Kuldip, Bavishi, Abhay, Thakrar, Shailesh, Radadiya, Ashish

, Vala, Hardevsinh, Parekh, Shrey, Bhavsar, Dhairya, Savant, Mahesh, Parmar, Manisha, Adlakha, Priti and Shah, Anamik 2011. Synthesis and biological evaluation of 4-styrylcoumarin derivatives as inhibitors of TNF-α and IL-6 with anti-tubercular activity. Biorganic and Medicinal Chemistry Letters 21 (8) , pp. 2547-2549. 10.1016/j.bmcl.2011.02.016

Vergara, Elena, Cerrada, Elena, Clavel, Catherine, Casini, Angela

and Laguna, Mariano 2011. Thiolato gold(I) complexes containing water-soluble phosphane ligands: a characterization of their chemical and biological properties. Dalton Transactions 40 (41) , pp. 10927-10935. 10.1039/C1DT10892A

Vile, James, Carta, Mariolino

, Bezzu, Caterina Grazia and McKeown, Neil B. 2011. Tribenzotriquinacene-based polymers of intrinsic microporosity. Polymer Chemistry 2 (10) , pp. 2257-2260. 10.1039/c1py00294e

Vinod, C. P., Wilson, Karen and Lee, Adam Fraser 2011. Recent advances in the heterogeneously catalysed aerobic selective oxidation of alcohols. Journal of Chemical Technology and Biotechnology 86 (2) , pp. 161-171. 10.1002/jctb.2504

von Ruhland, Christopher John 2011. The molecular basis of modern marker chemistry. PhD Thesis, Cardiff University.
Item availability restricted.

Wang, Manhui

, May, Andrew James and Knowles, Peter James

2011. Improved version of parallel programming interface for distributed data with multiple helper servers. Computer Physics Communications 182 (7) , pp. 1502-1506. 10.1016/j.cpc.2011.03.020

Wang, Yue, McKeown, Neil B., Msayib, Kadhum, Turnbull, Graham A. and Samuel, Ifor D. W. 2011. Laser Chemosensor with Rapid Responsivity and Inherent Memory Based on a Polymer of Intrinsic Microporosity. Sensors 11 (3) , pp. 2478-2487. 10.3390/s110302478

Watts, Kevin, Gattrell, William and Wirth, Thomas

2011. A practical microreactor for electrochemistry in flow. Beilstein Journal of Organic Chemistry 7 , pp. 1108-1114. 10.3762/bjoc.7.127

Weekes, Ashley Ann, Bagley, Mark Christopher and Westwell, Andrew D.

2011. An efficient synthetic route to biologically relevant 2-phenylbenzothiazoles substituted on the benzothiazole ring. Tetrahedron 67 (40) , pp. 7743-7747. 10.1016/j.tet.2011.08.004

Weng, W., Davies, M., Solsona, B., Taylor, Stuart H.

and Kiely, C. 2011. Structural characterization of Niobium Phosphate Catalysts used for the Oxidative Dehydrogenation of Ethane to Ethylene. Microscopy and Microanalysis 17 (S2) , pp. 1738-1739. 10.1017/S1431927611009561

Weng, Weihao, Al Otaibi, Raja, Alhumaimess, Mosaed, Conte, Marco, Bartley, Jonathan Keith

and Kiely, Christopher John

2011. Controlling vanadium phosphate catalyst precursor morphology by adding alkane solvents in the reduction step of VOPO4·2H2O to VOHPO4·0.5H2O. Journal of Materials Chemistry 21 (40) , pp. 16136-16146. 10.1039/c1jm12456k

Weng, Weihao, Davies, Mathew, Whiting, Gareth T., Solsona, Benjamin, Kiely, Christopher John

2011. Niobium phosphates as new highly selective catalysts for the oxidative dehydrogenation of ethane. Physical Chemistry Chemical Physics 13 (38) , pp. 17395-17404. 10.1039/c1cp21136f

Wenzel, Margot, Bertrand, Benoit, Eymin, Marie-Joelle, Comte, Virginie, Harvey, Jennifer A., Richard, Philippe, Groessl, Michael, Zava, Olivier, Amrouche, Hedi, Harvey, Pierre D., Le Gendre, Pierre, Picquet, Michel and Casini, Angela

2011. Multinuclear cytotoxic metallodrugs: physicochemical characterization and biological properties of novel heteronuclear gold-titanium complexes. Inorganic Chemistry 50 (19) , pp. 9472-9480. 10.1021/ic201155y

Wilson, Karen 2011. Designing heterogeneous catalysts for biodiesel synthesis [Conference Abstract]. Abstracts of Papers of the American Chemical Society 242 , 46-PETR.

Wirth, Thomas

2011. Professor Siegfried Blechert: A Tribute. Arkivoc Online Journal of Organic Chemistry (4) , pp. 1-5.

Wirth, Thomas

and Zanda, Matteo 2011. SYNTHESIS/SYNLETT Advisory Board Focus: Professor Thomas Wirth (Cardiff University, UK) [Interview]. Synthesis -Stuttgart- (5) , A26-A26. 10.1055/s-0030-1259586

Wixey, James S. and Ward, Benjamin David

2011. Chiral calcium catalysts for asymmetric hydroamination/cyclisation. Chemical Communications 47 (19) , pp. 5449-5451. 10.1039/C1CC11229E

Wixey, James S. and Ward, Benjamin David

2011. Modular ligand variation in calcium bisimidazoline complexes: effects on ligand redistribution and hydroamination catalysis. Dalton Transactions 40 (30) , pp. 7693-7696. 10.1039/C1DT10732A

Woods, Philip A., Morrill, Louis

, Bragg, Ryan A. and Smith, Andrew D. 2011. Isothiourea-catalysed asymmetric C-acylation of silyl ketene acetals. Chemistry - a European Journal 17 (39) , pp. 11060-11067. 10.1002/chem.201100995

Woodul, William D., Carter, Emma

, Müller, Robert, Richards, Anne F., Stasch, Andreas

, Kaupp, Martin, Murphy, Damien Martin

, Driess, Matthias and Jones, Cameron 2011. A neutral, monomeric germanium(I) radical. Journal of the American Chemical Society 133 (26) , pp. 10074-10077. 10.1021/ja204344e

Yasar, Sedat, Cavell, Kingsley John, Ward, Benjamin David

2011. Novel quasi-scorpionate ligand structures based on a bis-N-heterocyclic carbene chelate core: synthesis, complexation and catalysis. Applied Organometallic Chemistry 25 (5) , pp. 374-382. 10.1002/aoc.1773

Yasayan, Gökçen, Saeed, Aram O., Fernández-Trillo, Francisco, Allen, Stephanie, Davies, Martyn C., Jangher, Abdulhakim, Paul, Alison

, Thurecht, Kristofer J., King, Stephen M., Schweins, Ralf, Griffiths, Peter Charles, Magnusson, Johannes P. and Alexander, Cameron 2011. Responsive hybrid block co-polymer conjugates of proteins-controlled architecture to modulate substrate specificity and solution behaviour. Polymer Chemistry 2 (7) , pp. 1567-1578. 10.1039/c1py00128k

Yaseneva, Polina, Bowker, Michael

2011. Structural and magnetic properties of Zn-substituted cobalt ferrites prepared by co-precipitation method. Physical Chemistry Chemical Physics 13 (41) , pp. 18609-18614. 10.1039/c1cp21516g

Zeng, Yi-Bo, Yang, Nan and Sun, Hongzhe 2011. Metal-binding properties of an Hpn-like histidine-rich protein. Chemistry - A European Journal 17 (21) , pp. 5852-5860. 10.1002/chem.201100279

Zhang, Zhijie, Wang, Wenzhong, Xu, Jie, Shang, Meng, Ren, Jia and Sun, Songmei 2011. Enhanced photocatalytic activity of Bi2WO6 doped with upconversion luminescence agent. Catalysis Communications 13 (1) , 31--34. 10.1016/j.catcom.2011.06.010

Zhao, Liwei, Li, Z. and Wirth, Thomas

2011. Preparation of Novel Chiral Non-Racemic Diselenides and Applications in Asymmetric Synthesis. European Journal of Organic Chemistry (1) , pp. 176-182. 10.1002/ejoc.201001272

Zhao, Liwei, Li, Zhong and Wirth, Thomas

2011. Asymmetric Methoxyselenenylations with Chiral Selenium Electrophiles. European Journal of Organic Chemistry 2011 (35) , pp. 7080-7082. 10.1002/ejoc.201101373

2010

Abd-El-Latif, A. A., Mostafa, E., Huxter, Sharon Elizabeth, Attard, Gary Anthony and Baltruschat, H. 2010. Electrooxidation of ethanol at polycrystalline and platinum stepped single crystals: A study by differential electrochemical mass spectrometry. Electrochimica Acta 55 (27) , pp. 7951-7960. 10.1016/j.electacta.2010.04.008

Aitken, R. Alan, Cleghorn, Lee P., Leitch, Rebecca M., Morrill, Louis

and Slawin, Alexandra M. Z. 2010. Unexpected rearrangement leading to formation of a 1,3-Bis(triphenylphosphonio)prop-1-en-3-idyl carboxylate. European Journal of Organic Chemistry 2010 (17) , pp. 3211-3214. 10.1002/ejoc.201000143

Ajarim, Mansour Dahish S. 2010. Nitration of simple aromatics over zeolite catalysts. PhD Thesis, Cardiff University.

Al Otaibi, Raja, Weng, Waihao, Bartley, Jonathan Keith

, Kiely, Christopher John

2010. Vanadium Phosphate Oxide Seeds and Their Influence on the Formation of Vanadium Phosphate Catalyst Precursors. ChemCatChem 2 (4) , pp. 443-452. 10.1002/cctc.200900274

Al-Otaibi, Raja Lafi 2010. Preparation and characterisation at vanadium phosphorus oxide catalysts for butane oxidation to maleic anhydride. PhD Thesis, Cardiff University.

Al-Otaibi, Naif Mohammed K and Hutchings, Graham John

2010. Aromatization of Isobutene Using H-ZSM-5/Oxide Composite Catalysts. Catalysis Letters 134 (3-4) , pp. 191-195. 10.1007/s10562-009-0255-x

Alame, M., Abusaloua, A., Pera-Titus, M., Guilhaume, N., Fiaty, K. and Giroir-Fendler, A. 2010. High-performance catalytic wet air oxidation (CWAO) of organic acids and phenol in interfacial catalytic membrane contactors under optimized wetting conditions. Catalysis Today 157 (1-4) , pp. 327-333. 10.1016/j.cattod.2010.03.009

Aldulaijan, Sarah and Platts, James Alexis

2010. Theoretical prediction of a peptide binding to major histocompatibility complex II. Journal of Molecular Graphics and Modelling 29 (2) , pp. 240-245. 10.1016/j.jmgm.2010.05.010

Aljayyoussi, Ghaith, Ford, William Richard

, McKeown, Neil B. and Gumbleton, Mark

2010. Differential transport of anionic PAMAM dendrimers across in vitro biological barriers [Abstract]. Drug Discovery Today 15 (23-24) , p. 1114. 10.1016/j.drudis.2010.09.440

Altermann, Sabine, Schafer, Sascha and Wirth, Thomas

2010. New chiral hypervalent iodine(V) compounds as stoichiometric oxidants. Tetrahedron 66 (31) , pp. 5902-5907. 10.1016/j.tet.2010.05.079

Altug, Cevher, Dürüst, Yasar, Elliott, Mark Christopher

, Rorstad, Tillique and Zaal, Mark 2010. Reaction of heterocyclic enamines with nitrile oxide and nitrilimine precursors. Organic & Biomolecular Chemistry 8 (21) , pp. 4978-4986. 10.1039/c0ob00286k

Amoroso, Angelo James

, Banu, Afrosa, Coogan, Michael Peter, Edwards, Peter Gerald

, Hossain, Golzar and Malik, Khalifa Mohammad Abdul 2010. Functionalisation of terpyridine complexes containing the Re(CO)3+ moiety. Dalton Transactions 39 (30) , pp. 6993-7003. 10.1039/c0dt00174k

Andrews, Michael Bryan 2010. Synthesis and characterisation of lanthanide complexes for application as responsive probes. PhD Thesis, Cardiff University.

Andrews, Michael, Amoroso, Angelo James

, Harding, Lindsay P. and Pope, Simon J. A.

2010. Responsive, di-metallic lanthanide complexes of a piperazine-bridged bis-macrocyclic ligand: modulation of visible luminescence and proton relaxivity. Dalton Transactions 39 (14) , pp. 3407-3411. 10.1039/b923988j

Aranda, A., Puertolas, B, Solsona, Benjamin Espriu, Agouriam, S., Murillo, R., Mastral, A. M., Taylor, Stuart H.

and Garcia, T. 2010. Total oxidation of naphthalene using mesoporous CeO2 catalysts synthesized by nanocasting from two dimensional SBA-15 and three dimensional KIT-6 and MCM-48 silica templates. Catalysis Letters 134 (1-2) , pp. 110-117. 10.1007/s10562-009-0203-9

Armstrong, Robert, Ecott, Christopher, Mas-Marza, Elena, Page, Michael J., Mahon, Mary F. and Whittlesey, Michael K. 2010. Ring-expanded N-heterocyclic carbene complexes of ruthenium. Organometallics 29 (4) , pp. 991-997. 10.1021/om901044u

Arthur, Richard John 2010. Catalytic dechlorination of chloroalkenes by multimetallic cobaloximes: Synthesis, chemistry and catalysis. PhD Thesis, Cardiff University.

Bagley, Mark Christopher, Davis, Terence

, Dix, Matthew Charles, Murziani, Paola G. S., Rokicki, Michal Jaroslaw and Kipling, David Glyn 2010. Microwave-assisted synthesis of a pyrazolyl ketone library for evaluation as p38 MAPK inhibitors in Werner syndrome cells. Future Medicinal Chemistry 2 (2) , pp. 203-213. 10.4155/fmc.09.160

Bagley, Mark Christopher, Davis, Terence

, Rokicki, Michal Jaroslaw, Widdowson, Caroline Susan and Kipling, David Glyn 2010. Synthesis of the highly selective p38 MAPK inhibitor UR-13756 for possible therapeutic use in Werner syndrome. Future Medicinal Chemistry 2 (2) , pp. 193-201. 10.4155/fmc.09.163

Bagley, Mark Christopher, Fusillo, Vincenzo, Jenkins, Robert Leyshon, Lubinu, M. Caterina and Mason, Christopher 2010. Continuous flow processing from microreactors to mesoscale: the Bohlmann-Rahtz cyclodehydration reaction. Organic and Biomolecular Chemistry 8 (9) , pp. 2245-2251. 10.1039/b926387j

Bagley, Mark Christopher and Glover, Christian C. F. 2010. Bohlmann-Rahtz cyclodehydration of aminodienones to pyridines using N-iodosuccinimide. Molecules 15 (5) , pp. 3211-3227. 10.3390/molecules15053211

Bagley, Mark Christopher, Lin, Zhifan and Pope, Simon J. A.

2010. Microwave-assisted synthesis and complexation of luminescent cyanobipyridyl-zinc(ii) bis(thiolate) complexes with intrinsic and ancillary photophysical tunability. Dalton Transactions 39 (13) , pp. 3163-3166. 10.1039/c001898h

Bahruji, Hasliza, Bowker, Michael

, Al-Mazroai, Layla Saeed, Dickinson, Amanda, Greaves, Jane, James, David, Millard, Lucy and Pedrono, Fabien 2010. Sustainable H2 gas production by photocatalysis. Journal of Photochemistry and Photobiology A: Chemistry 216 (2-3) , pp. 115-118. 10.1016/j.jphotochem.2010.06.022

Bamroongwongdee, Chanut 2010. Surface science studies of model oxide catalysts: Molybdenum oxide on single crystal iron oxide. PhD Thesis, Cardiff University.

Barrea, C., Biard, J.-M., Hutchings, Graham John

and Bernard, P. 2010. Prenatal diagnosis of isolated total anomalous systemic venous return to the coronary sinus. Ultrasound in Obstetrics and Gynecology 35 (1) , pp. 117-119. 10.1002/uog.7516

Bartley, Jonathan Keith

, Hargreaves, Justin S. J., Hutchings, Graham John

, Rico, Jose L., Taylor, Stuart H.

, Wells, Richard P. K. and Willock, David James

2010. Metal oxides. Horvath, Istvan T., ed. Encyclopedia of Catalysis, New York: John Wiley & Sons, (10.1002/0471227617.eoc139.pub2)

Bawaked, Salem Mohammed 2010. Solvent free alkene oxidation using supported nano-gold catalysts. PhD Thesis, Cardiff University.

Beames, Joseph

and Hudson, Andrew J. 2010. Jet-cooled spectroscopy of paracetamol. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 12 (16) , pp. 4157-4164. 10.1039/B923202H

Beames, Joseph

, Hudson, Andrew J., Vaden, Timothy D. and Simons, John P. 2010. Double-resonance spectroscopy of the jet-cooled free base and Cu(II) complex of protoporphyrin IX. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 12 (42) , pp. 14076-14081. 10.1039/c0cp00874e

Beames, Joseph

, Vaden, Timothy D. and Hudson, Andrew J. 2010. The spectroscopy of jet-cooled porphyrins: an insight into the vibronic structure of the Q band. Journal of Porphyrins and Phthalocyanines 14 (4) , pp. 314-323. 10.1142/S1088424610002094

Bezzu, Caterina Grazia, Helliwell, Madeleine, Warren, John E., Allan, David R. and McKeown, Neil B. 2010. Heme-like coordination chemistry within nanoporous molecular crystals. Science 327 (5973) , pp. 1627-1630. 10.1126/science.1184228

Binobaid, Abber A. 2010. N-functionalised expanded-ring N-heterocyclic carbenes: Synthesis, structure and catalysis. PhD Thesis, Cardiff University.

Binobaid, Abeer Abdulrahman, Iglesias, Manuel Alonso, Beetstra, Dirk Johannes, Dervisi, Athanasia

and Cavell, Kingsley John 2010. Donor-Functionalised Expanded Ring N-Heterocyclic Carbenes: Highly Effective Ligands in Ir-Catalysed Transfer Hydrogenation. European Journal of Inorganic Chemistry (34) , pp. 5426-5431. 10.1002/ejic.201000680

Blake, A.J., Harris, N.A., Kays, D.L.

, Lewis, W. and Moxey, G.J. 2010. Bis[μ3-1,8-bis-(triisopropyl-silyl-amido)-naphthalene] -bis-(tetra-hydro-furan)di-μ3-oxido-dimanganese(III)disodium. Acta Crystallographica Section C: Crystal Structure Communications 66 (8) , m204-m206. 10.1107/s010827011002442x

Blake, Alexander J., Champness, Neil R., Easun, Timothy

, Allan, David R., Nowell, Harriott, George, Michael W., Jia, Junhua and Sun, Xue-Zhong 2010. Photoreactivity examined through incorporation in metal-organic frameworks. Nature Chemistry 2 (8) , pp. 688-694. 10.1038/nchem.681

Bogolowski, Nicky, Huxter, Sharon Elizabeth, Abd-El-Latif, Abd-El-Aziz A., Attard, Gary Anthony and Baltruschat, Helmut 2010. Copper underpotential deposition on Ru quasi-single-crystal films. Journal of Electroanalytical Chemistry 646 (1-2) , pp. 68-74. 10.1016/j.jelechem.2010.02.023

Bowker, Michael

2010. The role of precursor states in adsorption, surface reactions and catalysis. Journal of Physics: Condensed Matter 22 (26) , 263002. 10.1088/0953-8984/22/26/263002

Bowker, Michael

and Bennett, Roger A. 2010. Surface science studies of strong metal-oxide interactions on model catalysts. Rioux, Robert M., ed. Model Systems in Catalysis: Single Crystals to Supported Enzyme Mimics, New York: Springer, pp. 155-173. (10.1007/978-0-387-98049-2_8)

Bowker, Michael

, Broughton, Melissa Anne, Carley, Albert Frederick, Davies, Philip Rosser

, Carley, Albert Frederick, Davies, Philip Rosser

, Crouch, Jonathan James, Lalev, Georgi Maximov, Dimov, Stefan Simeonov and Pham, Duc Truong 2010. Influence of thermal treatment on nanostructured gold model catalysts? Langmuir 26 (21) , pp. 16261-16266. 10.1021/la101372w

Bowker, Michael

, Crouch, Jonathan James, Lalev, Georgi Maximov, Dimov, Stefan Simeonov and Pham, Duc Truong 2010. Effects of the nanostructuring of gold films upon their thermal stability. Acs Nano 4 (4) , pp. 2228-2232. 10.1021/nn901614e

Bowker, Michael

, Counsell, Jonathan David, El-Abiary, Kareem, Gilbert, Lee Alexander, Morgan, Chris, Nagarajan, Sankaranarayanan and Gopinath, Chinnakonda S. 2010. Carbon dissolution and segregation in Pd(110). Journal of Physical Chemistry C 114 (11) , pp. 5060-5067. 10.1021/jp9108046

Bowker, Michael

, Gilbert, Lee Alexander, Counsell, Jonathan David and Morgan, Christian 2010. Dehydrogenation versus decarbonylation of oxygenates on Pd(110): pure, clean Pd is a poor catalyst. Journal of Physical Chemistry C 114 (40) , pp. 17142-17147. 10.1021/jp104837t

Boy, Frederic, Evans, Christopher John

, Edden, Richard Anthony Edward, Singh, Krish Devi

, Husain, Masud and Sumner, Petroc

2010. Individual differences in subconscious motor control predicted by GABA concentration in SMA. Current Biology 20 (19) , pp. 1779-1785. 10.1016/j.cub.2010.09.003

Brandt, Johan Christian, Elmore, Simon C., Robinson, Richard I. and Wirth, Thomas

2010. Safe and Efficient Ritter Reactions in Flow. Synlett (20) , pp. 3099-3103. 10.1055/s-0030-1259075

Bresner, Christopher, Haynes, Cally J. E., Addy, David A., Broomsgrove, Alexander E. J., Fitzpatrick, Philip, Vidovic, Dragoslav, Thompson, Amber L., Fallis, Ian Andrew.

and Aldridge, Simon 2010. Comparative structural and thermodynamic studies of fluoride and cyanide binding by PhBMes2 and related triarylborane Lewis acids. New Journal of Chemistry 34 (8) , pp. 1652-1659. 10.1039/c0nj00120a

Broomsgrove, Alexander E. J., Addy, David A., Di Paolo, Angela, Morgan, Ian Rhys

, Bresner, Christopher, Chislett, Victoria, Fallis, Ian Andrew

, Thompson, Amber L., Vidovic, Dragoslav and Aldridge, Simon 2010. Evaluation of electronics, electrostatics and hydrogen bond cooperativity in the binding of cyanide and fluoride by Lewis Acidic ferrocenylboranes. Inorganic Chemistry 49 (1) , pp. 157-173. 10.1021/ic901673u

Browne, Duncan L.

and Harrity, Joseph P. A. 2010. Recent developments in the chemistry of sydnones. Tetrahedron 66 (3) , pp. 553-568. 10.1016/j.tet.2009.10.085

Browne, Duncan L.

, Taylor, John B., Plant, Andrew and Harrity, Joseph P. A. 2010. Alkyne [3 + 2] cycloadditions of iodosydnones toward functionalized 1,3,5-trisubstituted pyrazoles. Journal of Organic Chemistry 75 (3) , pp. 984-987. 10.1021/jo902514v

Buckley, Joanna, Lee, Adam Fraser, Olivi, Luca and Wilson, Karen 2010. Hydroxyapatite supported antibacterial Ag3PO4 nanoparticles. Journal of Materials Chemistry 20 (37) , pp. 8056-8063. 10.1039/c0jm01500h

Budd, Peter M. and McKeown, Neil B. 2010. Highly permeable polymers for gas separation membranes. Polymer Chemistry 1 (1) , pp. 63-68. 10.1039/b9py00319c

Bullock, Thomas H., Melen, Rebecca L.

and Wright, Dominic S. 2010. Group 2 (Be-Ba) and Group 12 (Zn-Hg). Organometallic Chemistry : Volume 36 36 , pp. 168-181. 10.1039/9781847559616-00168

Burch, Robbie, Gladden, Lynn and Golunski, Stanislaw E.

2010. Studies of Precious Metal Catalysts in the CARMAC Programme. Platinum Metals Review 54 (3) , pp. 137-146. 10.1595/147106710X501782

Buurma, Niklaas Jan

, Cook, Joanne L., Hunter, Christopher A., Low, Caroline M. R. and Vinter, Jeremy G. 2010. The role of functional group concentration in solvation thermodynamics. Chemical Science 1 (2) , pp. 242-246. 10.1039/C0SC00209G

Carley, Albert Frederick, Davies, Philip Rosser

, Roberts, Meirion Wyn and Thomas, Kevin K. 2010. Transient Oxygen States in Catalysis: Ammonia Oxidation at Ag(111). Langmuir 26 (21) , pp. 16221-16225. 10.1021/la100953m

Carpenter, Barry K.

2010. Kinetic isotope effects: Unearthing the unconventional. Nature Chemistry 2 (2) , pp. 80-82. 10.1038/nchem.531

Carr, Jenny M., Duggan, Peter James, Humphrey, David G., Platts, James Alexis

and Tyndall, Edward M. 2010. Wood protection properties of quaternary ammonium arylspiroborate esters derived from naphthalene 2,3-Diol, 2,2 '-Biphenol and 3-Hydroxy-2-naphthoic acid. Australian Journal of Chemistry 63 (10) , pp. 1423-1429. 10.1071/CH10132

Carregal-Romero, Susana, Buurma, Niklaas Jan

, Pérez-Juste, Jorge, Liz-Marzán, Luis M. and Hervés, Pablo 2010. Catalysis by Au@pNIPAM nanocomposites: effect of the cross-linking density. Chemistry of Materials 22 (10) , pp. 3051-3059. 10.1021/cm903261b

Carter, Emma

, Collison, David, Edge, Ruth, Fitzgerald, Emma C., Lancashire, Hannah N., Murphy, Damien Martin

, McDouall, Joseph J. W., Sharples, Joseph and Whiteley, Mark W. 2010. Experimental observation of spin delocalisation onto the aryl-alkynyl ligand in the complexes [Mo(C=CAr)(Ph2PCH2CH2PPh2)(η-C7H7)]+ (Ar = C6H5, C6H4-4-F; C7H7 = cycloheptatrienyl): an EPR and ENDOR investigation. Dalton Transactions 39 (47) , pp. 11424-11431. 10.1039/c0dt00642d

Carter, Emma

, Van Doorslaer, S. and Vinck, E. 2010. Probing the role of weak outer sphere interactions (H-bonds) in VO(3,5-tBu2-salophen) – Epoxide adducts by EPR, ENDOR and HYSCORE. Chemical Physics Letters 486 (1-3) , pp. 74-79. 10.1016/j.cplett.2009.12.066

Casini, Angela

, Diawara, Mariam Celine, Scopelliti, Rosario, Zakeeruddin, Shaik Mohammed, Graetzel, Michael and Dyson, Paul J. 2010. Synthesis, characterisation and biological properties of gold(III) compounds with modified bipyridine and bipyridylamine ligands. Dalton Transactions 39 (9) , pp. 2239-2245. 10.1039/B921019A

Casini, Angela

, Edafe, Fabio, Erlandsson, Mikael, Gonsalvi, Luca, Ciancetta, Antonella, Re, Nazzareno, Ienco, Andrea, Messori, Luigi, Peruzzini, Maurizio and Dyson, Paul J. 2010. Rationalization of the inhibition activity of structurally related organometallic compounds against the drug target cathepsin B by DFT. Dalton Transactions 39 (23) , pp. 5556-5563. 10.1039/C003218B

Casini, Angela

, Hartinger, Christian G., Nazaroy, Alexey A. and Dyson, Paul J. 2010. Organometallic antitumour agents with alternative modes of action. Jaouen, Gerard and Metzler-Nolte, Nils, eds. Medicinal Organometallic Chemistry, Topics in Organometallic Chemistry, vol. 32. Springer, pp. 57-80. (10.1007/978-3-642-13185-1_3)

Casini, Angela

, Temperini, Claudia, Gabbiani, Chiara, Supuran, Claudiu T. and Messori, Luigi 2010. The x-ray structure of the adduct between NAMI-A and carbonic anhydrase provides insights into the reactivity of this metallodrug with proteins. ChemMedChem 5 (12) , pp. 1989-1994. 10.1002/cmdc.201000331

Chan, Wesley T.K., García, Felipe, McPartlin, Mary, Melen, Rebecca L.

and Wright, Dominic S. 2010. Syntheses and structures of [Me2Si{As(PtBu)3}2] and [(CyP)3SiMe2] (Cy=cyclohexyl, C6H11). Journal of Organometallic Chemistry 695 (7) , pp. 1069-1073. 10.1016/j.jorganchem.2009.12.011

Chong, J. J., Tsolakis, A., Gill, S. S., Theinnoi, K. and Golunski, Stanislaw E.

2010. Enhancing the NO2/NOx ratio in compression ignition engines by hydrogen and reformate combustion, for improved aftertreatment performance. International Journal of Hydrogen Energy 35 (16) , pp. 8723-8732. 10.1016/j.ijhydene.2010.06.008

Cinellu, Maria A., Maiore, Laura, Manassero, Mario, Casini, Angela

, Arca, Massimiliano, Fiebig, Heinz-Herbert, Kelter, Gerhard, Michelucci, Elena, Pieraccini, Giuseppe, Gabbiani, Chiara and Messori, Luigi 2010. [Au-2(phen(2Me))2(mu-O)2](PF6)2, a novel dinuclear gold(III) complex showing excellent antiproliferative properties. ACS Medicinal Chemistry Letters 1 (7) , pp. 336-339. 10.1021/ml100097f

Clark, Ewan R., Melen, Rebecca L.

and Rawson, Jeremy M. 2010. Oxygen, sulfur, selenium, tellurium and polonium. Annual Reports on the Progress of Chemistry - Section A 106 , pp. 119-135. 10.1039/b918371j

Clarke, Matthew John, Artero, J. B., Moulin, M., Callow, P., Carver, J. A., Griffiths, Peter Charles, Haertlein, M., Harding, J. J., Meek, Keith Michael Andrew

, Timmins, P. and Regini, Justyn Wiktor

2010. Investigation of yE-crystallin target protein binding to bovine lens alpha-crystallin by small-angle neutron scattering. Biochimica et Biophysica Acta (BBA) - General Subjects 1800 (3) , pp. 392-397. 10.1016/j.bbagen.2009.12.001

Cole, Kieran J, Carley, Albert Frederick, Crudace, Mandy, Clarke, Michael, Taylor, Stuart H.

2010. Copper Manganese Oxide Catalysts Modified by Gold Deposition: The Influence on Activity for Ambient Temperature Carbon Monoxide Oxidation. Catalysis Letters 138 (3-4) , pp. 143-147. 10.1007/s10562-010-0392-2

Coleman, Dennis Lee, Edwards, Peter Gerald

2010. Coordination chemistry of cis,cis and trans,trans 1,1'-[1,2-phenylenebis(methylene)]bis(2,2,3,4,4-pentamethylphosphetane). Dalton Transactions 39 (16) , pp. 3842-3850. 10.1039/b924982f

Conte, Marco, Wilson, Karen and Chechik, V. 2010. A catalytic reactor for the trapping of free radicals from gas phase oxidation reactions. Review of Scientific Instruments 81 (10) , 104102. 10.1063/1.3492247

Coogan, Michael Peter, Court, Jonathan B., Gray, Victoria Louise, Hayes, Anthony Joseph, Lloyd, Sian H., Millet, Coralie Ode, Pope, Simon J. A.

and Lloyd, David

2010. Probing intracellular oxygen by quenched phosphorescence lifetimes of nanoparticles containing polyacrylamide-embedded [Ru(dpp(SO3Na)2)3]Cl2. Photochemical and Photobiological Sciences 9 (1) , pp. 103-109. 10.1039/b9pp00071b

Cooper, Bridgette 2010. Benchmark calculations of projection and variational coupled cluster methods. PhD Thesis, Cardiff University.

Cooper, Bridgette and Knowles, Peter James

2010. Benchmark studies of variational, unitary and extended coupled cluster methods. The Journal of Chemical Physics 133 (23) , 234102. 10.1063/1.3520564

Counsell, Jonathan David Peter 2010. Surface science studies of adsorption and reactivity of Pd(111) and Au-Pd (111). PhD Thesis, Cardiff University.

Crosby, S.H., Clarkson, G.J., Deeth, R.J. and Rourke, J.P.

2010. Platinum(IV) DMSO Complexes: Synthesis, Isomerization, and Agostic Intermediates. Organometallics 29 (8) , pp. 1966-1976. 10.1021/om901087m

Crossley, James A. and Browne, Duncan L.

2010. Cycloaddition of benzynes and nitrile oxides: synthesis of benzisoxazoles. Tetrahedron Letters 51 (17) , pp. 2271-2273. 10.1016/j.tetlet.2010.02.103

Crossley, James A. and Browne, Duncan L.

2010. An alkynyliodide cycloaddition strategy for the construction of iodoisoxazoles. Journal of Organic Chemistry 75 (15) , pp. 5414-5416. 10.1021/jo1011174

Crossley, James A., Kirkham, James D., Browne, Duncan L.

and Harrity, Joseph P.A. 2010. On the use of 2-(trimethylsilyl)iodobenzene as a benzyne precursor. Tetrahedron Letters 51 (50) , pp. 6608-6610. 10.1016/j.tetlet.2010.10.052

Cubo, Leticia, Groessl, Michael, Dyson, Paul J., Quiroga, Adoracion G., Navarro-Ranninger, Carmen and Casini, Angela

2010. Proteins as possible targets for cytotoxic trans-platinum(II) complexes with aliphatic amine ligands: further exceptions to the DNA paradigm. ChemMedChem 5 (8) , pp. 1335-1343. 10.1002/cmdc.201000104

Curotto, E. and Mella, Massimo 2010. Quantum Monte Carlo simulations of selected ammonia clusters (n = 2-5): Isotope effects on the ground state of typical hydrogen bonded systems. Journal of Chemical Physics 133 (21) , 214301. 10.1063/1.3506027

da Cruz, Georgiana F., Angolini, Célio F. F., Gonzaga De Oliveira, Luciana, Lopes, Patrícia F., de Vasconcellos, Suzan P., Crespim, Elaine, de Oliveira, Valéria M., dos Santos Neto, Eugênio V. and Marsaioli, Anita J. 2010. Searching for monooxygenases and hydrolases in bacteria from an extreme environment. Applied Microbiology and Biotechnology 87 (1) , pp. 319-329. 10.1007/s00253-010-2485-7

Dacquin, Jean-Philippe

, Cross, Hannah E., Brown, D. Robert, Düren,, Tina, Williams, Jennifer J., Lee, Adam Fraser and Wilson, Karen 2010. Interdependent lateral interactions, hydrophobicity and acid strength and their influence on the catalytic activity of nanoporous sulfonic acid silicas. Green Chemistry 12 (8) , pp. 1383-1391. 10.1039/C0GC00045K

Dacquin, Jean-Philippe

, Lee, Adam F. and Wilson, Karen 2010. Heterogeneous catalysts for biodiesel production. Crocker, Mark, ed. Thermochemical Conversion of Biomass to Liquid Fuels and Chemicals, RSC Energy and Environment Series, vol. 1. Cambridge: Royal Society of Chemistry, pp. 416-434. (10.1039/9781849732260-00416)

Daramola, M. O., Burger, A. J., Pera-Titus, M., Giroir-Fendler, A., Lorenzen, L. and Dalmon, J. -A. 2010. Xylene vapor mixture separation in nanocomposite MFI-alumina tubular membranes: influence of operating variables. Separation Science and Technology 45 (1) , pp. 21-27. 10.1080/01496390903402141

Daramola, M. O., Burger, A. J., Pera-Titus, M., Giroir-Fendler, A., Miachon, S., Dalmon, J.-A. and Lorenzen, L. 2010. Separation and isomerization of xylenes using zeolite membranes: a short overview. Asia-Pacific Journal of Chemical Engineering 5 (6) , pp. 815-837. 10.1002/apj.414

Daramola, M.O., Deng, Z., Pera-Titus, M., Giroir-Fendler, A., Miachon, S., Burger, A.J., Lorenzen, L. and Guo, Y. 2010. Nanocomposite MFI–alumina membranes prepared via pore-pugging synthesis: application as packed-bed membrane reactors for m-xylene isomerization over a Pt-HZSM-5 catalyst. Catalysis Today 156 (3-4) , pp. 261-267. 10.1016/j.cattod.2010.03.077

Davies, Philip Rosser

2010. On the nature of the active site in catalysis: the reactivity of surface oxygen on Cu(1 1 0). Catalysis Today 154 (1-2) , pp. 31-37. 10.1016/j.cattod.2009.12.011

Davis, Terence

, Bachler, Marcus Aurelius, Wyllie, Fiona Sandra, Bagley, Mark Christopher and Kipling, David 2010. Evaluating the role of p38 MAP kinase in growth of Werner syndrome fibroblasts. Annals of the New York Academy of Sciences 1197 (1) , pp. 45-48. 10.1111/j.1749-6632.2010.05195.x

de la Pena O'Shea, Victor Antonio, Moreira, Iberio de P. R., Roldan Martinez, Alberto

and Illas, Francesc 2010. Electronic and magnetic structure of bulk cobalt: The alpha, beta, and epsilon-phases from density functional theory calculations. Journal of Chemical Physics 133 (2) , 024701. 10.1063/1.3458691

Deng, Z., Nicolas, C.-H., Daramola, M.O., Sublet, J., Schiestel, Th., Burger, A.J., Guo, Y., Giroir-Fendler, A. and Pera-Titus, M. 2010. Nanocomposite MFI-alumina hollow fibre membranes prepared via pore-plugging synthesis: Influence of the porous structure of hollow fibres on the gas/vapour separation performance. Journal of Membrane Science 364 (1-2) , pp. 1-8. 10.1016/j.memsci.2010.05.065

Deng, Z., Nicolas, C.-H., Guo, Y., Giroir-Fendler, A. and Pera-Titus, M. 2010. Synthesis and characterization of nanocomposite B-MFI-alumina hollow fibre membranes and application to xylene isomer separation. Microporous and Mesoporous Materials 133 (1-3) , pp. 18-26. 10.1016/j.micromeso.2010.04.006

Deng, Z., Pera-Titus, M., Guo, Y. and Giroir-Fendler, A. 2010. Molecular sieving separation of hexane isomers within nanocomposite (B)-MFI-alumina hollow fiber membranes: a modeling study. Industrial & Engineering Chemistry Research 49 (22) , pp. 11697-11707. 10.1021/ie101566q

Dervisi, Athanasia

2010. Nickel, palladium and platinum. Annual Reports on the Progress of Chemistry - Section A 106 , pp. 223-234. 10.1039/b918385j

Dhainaut, Jérémy, Dacquin, Jean-Philippe

, Lee, Adam Fraser and Wilson, Karen 2010. Hierarchical macroporous-mesoporous SBA-15 sulfonic acid catalysts for biodiesel synthesis. Green Chemistry 12 (2) , pp. 296-303. 10.1039/B919341C

Dorin, Irina Mihaela 2010. Thiophene-based DNA binders for sensing, nano-bioelectronics, and therapeutic purposes. PhD Thesis, Cardiff University.

Dummer, Nicholas

, Bawaked, Salem Mohammed, Hayward, James, Jenkins, Robert Leyshon and Hutchings, Graham John

2010. Oxidative dehydrogenation of cyclohexane and cyclohexene over supported gold, palladium and gold-palladium catalysts. Catalysis Today 154 (1-2) , pp. 2-6. 10.1016/j.cattod.2010.03.031

Dummer, Nicholas

, Weng, Weihao, Kiely, Carol, Carley, Albert Frederick, Bartley, Jonathan Keith

, Kiely, Christopher John

2010. Structural evolution and catalytic performance of DuPont V-P-O/SiO2 materials designed for fluidized bed applications. Applied Catalysis A: General 376 (1-2) , pp. 47-55. 10.1016/j.apcata.2009.10.004

Dunford, Damian Gordon 2010. Novel synthesis of N-heterocycles. PhD Thesis, Cardiff University.

Dzade, Nelson Y.

, Obodo, Kingsley O., Adjokatse, Sampson K., Ashu, Akosa C., Amankwah, Emmanuel, Atiso, Clement D., Bello, Abdulhakeem A., Igumbor, Emmanuel, Nzabarinda, Stany B., Obodo, Joshua T., Ogbuu, Anthony O., Femi, Olu Emmanuel, Udeigwe, Josephine O. and Waghmare, Umesh V. 2010. Silicene and transition metal based materials: prediction of a two-dimensional piezomagnet. Journal of Physics: Condensed Matter 22 (37) , 375502. 10.1088/0953-8984/22/37/375502

Ebrahimpour, P., Cushion, M., Haddow, M. F., Hallett, Andrew Jon and Wass, D. F. 2010. Cu(I) complexes based on cis, cis-1,3,5-tris(arylideneamino)cyclohexane ligands: synthesis, structure and CO binding. Dalton Transactions 39 (45) , pp. 10910-10919. 10.1039/c0dt00986e

Edwards, Wayne Robert, Williams, Abigail J., Morris, Josephine Lydia, Baldwin, Amy Joy

, Allemann, Rudolf Konrad

and Jones, Darran Dafydd

2010. Regulation of β-Lactamase activity by remote binding of Heme: functional coupling of unrelated proteins through domain insertion. Biochemistry 49 (31) , pp. 6541-6549. 10.1021/bi100793y

Edwards, Peter Gerald

, Knight, James Christopher and Newman, Paul David

2010. Synthesis of (1R,4S,6R)-5,5,6-trimethyl-2-phosphabicyclo[2.2.2]octane and derivatives. Dalton Transactions 39 (16) , pp. 3851-3860. 10.1039/b924983d

El-Betany, Alaa 2010. The synthesis and study of fluorescent dendritic molecules. PhD Thesis, Cardiff University.

Ellis, Peter J., Fairlamb, Ian J. S., Hackett, Simon F. J., Wilson, Karen and Lee, Adam Fraser 2010. Evidence for the surface-catalyzed Suzuki-Miyaura reaction over palladium nanoparticles: an operando XAS study. Angewandte Chemie. International Edition 49 (10) , pp. 1820-1824. 10.1002/anie.200906675

Erden, Seckin, Ho, Kingsley K. C., Lamoriniere, Steven, Lee, Adam Fraser, Yildiz, Hasan and Bismarck, Alexander 2010. Continuous Atmospheric Plasma Oxidation of Carbon Fibres: Influence on the Fibre Surface and Bulk Properties and Adhesion to Polyamide 12. Plasma Chemistry and Plasma Processing 30 (4) , pp. 471-487. 10.1007/s11090-010-9227-6

Evans, Rhiannon Mari, Behiry, Enas Mamdouh, Tey, Lai-Hock, Guo, Jiannan, Loveridge, Edric Joel and Allemann, Rudolf Konrad

2010. Catalysis by Dihydrofolate Reductase from the Psychropiezophile Moritella profunda. ChemBioChem 11 (14) , pp. 2010-2017. 10.1002/cbic.201000341

Evans, Anthony S., Sundaram, G. S. M., Saßmannshausen, Jörg, Toscano, John P. and Tippmann, Eric Michael 2010. Weinreb amides in carbene chemistry: a time-resolved IR investigation into a potential intramolecular stabilization mechanism. Organic Letters 12 (20) , pp. 4616-4619. 10.1021/ol101946u

Evans, Christopher John

, McGonigle, David

and Edden, Richard Anthony Edward 2010. Diurnal stability of gamma-aminobutyric acid concentration in visual and sensorimotor cortex. Journal of Magnetic Resonance Imaging 31 (1) , pp. 204-209. 10.1002/jmri.21996

Faraldos, Juan A., Kariuki, Benson

2010. Intermediacy of Eudesmane Cation during Catalysis by Aristolochene Synthase. Journal of Organic Chemistry 75 (4) , pp. 1119-1125. 10.1021/jo902397v

Faraldos, Juan A., O'Maille, Paul E., Dellas, Nikki, Noel, Joseph P. and Coates, Robert M. 2010. Bisabolyl-derived sesquiterpenes from tobacco 5-epi-aristolochene synthase-catalyzed cyclization of (2Z,6E)-farnesyl diphosphate. Journal of the American Chemical Society 132 (12) , pp. 4281-4289. 10.1021/ja909886q

Faraldos, Juan A., Wu, Shuiqin, Chappell, Joe and Coates, Robert M. 2010. Doubly deuterium-labeled patchouli alcohol from cyclization of singly labeled [2-2H1]farnesyl diphosphate catalyzed by recombinant patchoulol synthase. Journal of the American Chemical Society 132 (9) , pp. 2998-3008. 10.1021/ja909251r

Farooq, Umar, Schäfer, Sascha, Shah, Azhar, Freudendahl, Diana Maria and Wirth, Thomas

2010. Synthesis of new enantiomerically pure organoiodine catalysts and their application in the alpha-functionalization of ketones. Synthesis -Stuttgart- (6) , pp. 1023-1029. 10.1055/s-0029-1218640

Ferguson, Elaine Lesley

, De Luca, Edoardo, Heenan, Richard K., King, Stephen M. and Griffiths, Peter Charles 2010. Time-Resolved Small-Angle Neutron Scattering as a Tool for Studying Controlled Release from Liposomes using Polymer-Enzyme Conjugates. Macromolecular Rapid Communications 31 (19) , pp. 1685-1690. 10.1002/marc.201000241

Ferguson, Elaine Lesley

, Richardson, Simon C. W. and Duncan, Ruth 2010. Studies on the mechanism of action of dextrin-phospholipase A2 and its suitability for use in combination therapy. Molecular Pharmaceutics 7 (2) , pp. 510-521. 10.1021/mp900232a

Fernández-Moreira, Vanesa

, Thorp-Greenwood, Flora Lottie, Amoroso, Angelo James

, Cable, Joanne

, Court, Jonathan B., Gray, Victoria, Hayes, Anthony Joseph, Jenkins, Robert Leyshon, Kariuki, Benson

, Lloyd, David

, Millet, Coralie Ode, Williams, Catrin Ffion

and Coogan, Michael Peter 2010. Uptake and localisation of rhenium fac-tricarbonyl polypyridyls in fluorescent cell imaging experiments. Organic and Biomolecular Chemistry 8 (17) , pp. 3888-3901. 10.1039/c004610h

Fernández-Moreira, Vanesa, Thorp-Greenwood, Flora Lottie, Arthur, Richard J., Kariuki, Benson

, Jenkins, Robert Leyshon and Coogan, Michael Peter 2010. Fluxionality and lability in rhenium 4'-hydroxyterpyridine complexes: Evidence for an associative mechanism and correlated fluxionality and lability. Dalton Transactions 39 (32) , pp. 7493-7503. 10.1039/c0dt00022a

Fernández-Moreira, Vanesa

, Thorp-Greenwood, Flora Lottie and Coogan, Michael Peter 2010. Application of d(6) transition metal complexes in fluorescence cell imaging. Chemical Communications 46 (2) , pp. 186-202. 10.1039/b917757d

Fernández, Layla, Jiao, Ning, Soni, Pankaj, Gumulya, Yosephine, Gonzaga De Oliveira, Luciana and Reetz, Manfred T. 2010. An efficient method for mutant library creation in Pichia pastoris useful in directed evolution. Biocatalysis and Biotransformation 28 (2) , pp. 122-129. 10.3109/10242420903505834

Folli, Andrea

, Pochard, Isabelle, Nonat, André, Jakobsen, Ulla H., Shepherd, Ashley M. and Macphee, Donald E. 2010. Engineering photocatalytic cements: Understanding TiO2 surface chemistry to control and modulate photocatalytic performances. Journal of the American Ceramic Society 93 (10) , pp. 3360-3369. 10.1111/j.1551-2916.2010.03838.x

Freudendahl, Diana Maria, Iwaoka, M. and Wirth, Thomas

2010. Synthesis of New Sulfoxide-Containing Diselenides and Unexpected Cyclization Reactions to 2,3-Dihydro-1,4-benzoselenothiine 1-Oxides. European Journal of Organic Chemistry (20) , pp. 3934-3944. 10.1002/ejoc.201000514

Fujii, Kotaro, Ashida, Yasunari, Uekusa, Hidehero, Guo, Fang and Harris, Kenneth David Maclean

2010. Selective transformation pathways between crystalline forms of an organic material established from powder X-ray diffraction analysis. Chemical Communications- Royal Society of Chemistry 46 (24) , pp. 4264-4266. 10.1039/C0CC00233J

Fujii, Kotaro, Garay, Ana Lazuen, Hill, Janeen, Sbircea, Elena, Pan, Zhigang, Xu, Mingcan, Apperley, David C., James, Stuart L. and Harris, Kenneth David Maclean

2010. Direct structure elucidation by powder X-ray diffraction of a metal-organic framework material prepared by solvent-free grinding. Chemical Communications- Royal Society of Chemistry 46 (40) , pp. 7572-7574. 10.1039/C0CC02635B

Fujii, Kotaro, Uekusa, Hidehiro, Itoda, Naoko, Hasegawa, Gen, Yonemochi, Etsuo, Terada, Katsuhide, Pan, Zhigang and Harris, Kenneth David Maclean

2010. Physicochemical understanding of polymorphism and solid-state dehydration/rehydration processes for the pharmaceutical material acrinol, by ab initio powder X-ray diffraction analysis and other techniques. Journal of Physical Chemistry C 114 (1) , pp. 580-586. 10.1021/jp908636t

Gaber, Hatem M., Bagley, Mark Christopher, Sherif, Sherif M. and Abdul-Raouf, Usama M. 2010. Promising antimicrobial agents: Synthetic approaches to novel tricyclic and tetracyclic pyrimidinones with antimicrobial properties. Journal of Heterocyclic chemistry 47 (5) , pp. 1162-1170. 10.1002/jhet.446

Gallos, John, Yioti, Efthymia, Mati, Ioulia, Arvanitidis, Athanassios, Massen, Zoe and Alexandraki, Elli 2010. Synthesis of (±)-Crispine A via a nitrosoalkene hetero-diels-alder addition to ethyl vinyl ether. Synthesis 2011 (01) , pp. 142-146. 10.1055/s-0030-1258333

Gevaert, Thomas, Owsianik, Grzegorz, Hutchings, Graham John

, Everaerts, Wouter, Nilius, Bernd and De Ridder, Dirk 2010. Maturation of stretch-induced contractile activity and its muscarinic regulation in isolated whole bladder strips from rat. Neurourology and Urodynamics 29 (5) , pp. 789-796. 10.1002/nau.20553

Ghanem, Bader, Hashem, Mohammed

, Msayib, Kadhum, Xu, Mingcan, Budd, Peter M., Chaukura, Nhamo, Book, David, Tedds, Steven, Walton, Allan and McKeown, Neil B. 2010. Triptycene-based polymers of intrinsic microporosity: organic materials that can be tailored for gas adsorption. Macromolecules 43 (12) , pp. 5287-5294. 10.1021/ma100640m

Gilmour, Marie Naomi 2010. Oxidation of propane and methanol using metal oxide catalysts. PhD Thesis, Cardiff University.

Gkionis, Konstantinos 2010. Quantum chemical studies of metal-DNA interactions. PhD Thesis, Cardiff University.

Gleixner, Renate M., Joly, Kévin M., Tremayne, MaryJane, Kariuki, Benson

, Male, Louise, Coe, Diane M. and Cox, Liam R. 2010. Reaction of 1,1'-Divinyl ferrocene with one-electron oxidants: entry into functionalised [4]ferrocenophanes and observation of an isotope-dependent chemoselectivity effect. Chemistry: A European Journal 16 (19) , pp. 5769-5777. 10.1002/chem.200903478

Golchoubian, Hamid, Nazari, Omeleila and Kariuki, Benson

2010. A new copper(II) complex of unsymmetrical tetradentate ligand generated in situ: synthesis and molecular structure. Inorganica Chimica Acta 363 (11) , pp. 2673-2676. 10.1016/j.ica.2010.04.020

Golchoubian, Hamid, Rostami, Leila and Kariuki, Benson

2010. Preparation of heterodinuclear complexes with phenol-based compartmental ligands containing hexa- and tetradentate coordination sites. Polyhedron 29 (5) , pp. 1525-1533. 10.1016/j.poly.2010.01.023

Goldman, Lawrence Michael 2010. Critical tests in the theory and application of nonstatistical dynamics. PhD Thesis, Cardiff University.

Golunski, Stanislaw E.

2010. What is the point of on-board fuel reforming? Energy and Environmental Science 3 (12) , pp. 1918-1923. 10.1039/c0ee00252f

Gras, Michael, Therrien, Bruno, Suess-Fink, Georg, Casini, Angela

, Edafe, Fabio and Dyson, Paul J. 2010. Anticancer activity of new organo-ruthenium, rhodium and iridium complexes containing the 2-(pyridine-2-yl)thiazole N,N-chelating ligand. Journal of Organometallic Chemistry 695 (8) , pp. 1119-1125. 10.1016/j.jorganchem.2010.01.020

Green, Jason 2010. CW-EPR investigation on the formation, stability and reactivity of oxygen centred radicals on TiO2. PhD Thesis, Cardiff University.

Griffith, James C., Jones, Kevin Mark, Picon, Sylvain, Rawling, Michael J., Kariuki, Benson

, Campbell, Matthew and Tomkinson, Nicholas Charles Oliver 2010. Alkene syn dihydroxylation with malonoyl peroxides. Journal of the American Chemical Society 132 (41) , pp. 14409-14411. 10.1021/ja1066674

Griffiths, Peter Charles, Nilmini, Renuka, Carter, Emma

, Dodds, Patrick

, Khayat, Zeena, Lattanzio, Ettore, Ferruti, Paolo, Heenan, Richard K., King, Stephen M. and Duncan, Ruth 2010. Interaction of an endosomolytic polyamidoamine ISA23 with vesicles mimicking intracellular membranes: A SANS/EPR study. Macromolecular Bioscience 10 (8) , pp. 963-973. 10.1002/mabi.201000040

Griffiths-Jones, Charlotte M. and Knight, David William 2010. Carbenium ion trapping using sulfonamides: an acid-catalysed synthesis of pyrrolidines by intramolecular hydroamination. Tetrahedron 66 (23) , pp. 4150-4166. 10.1016/j.tet.2010.03.107

Griffiths, Peter Charles, Fallis, Ian Andrew

, James, Craig

, Morgan, Ian Rhys

, Brett, Gemma Louise, Heenan, Richard K., Schweins, Ralf, Grillo, Isabelle and Paul, Alison

2010. Structure-property relationships in metallosurfactants. Soft Matter 6 (9) , pp. 1981-1989. 10.1039/b920143b

Griffiths, Peter Charles, Knight, David William, Morgan, Ian Rhys

, Ford, Amy, Brown, James, Davies, Ben, Heenan, Richard K, King, Stephen M, Dalgliesh, Robert M, Tomkinson, John, Prescott, Stuart, Schweins, Ralf and Paul, Alison

2010. Gelation or molecular recognition; is the bis-(α,β-dihydroxy ester)s motif an omnigelator? Beilstein Journal of Organic Chemistry 6 , pp. 1079-1088. 10.3762/bjoc.6.123

Griffiths, Peter Charles, Occhipinti, Paolo, Morris, Christopher John, Heenan, Richard K., King, Stephen Michael and Gumbleton, Mark

2010. PGSE-NMR and SANS studies of the interaction of model polymer therapeutics with mucin. Biomacromolecules 11 (1) , pp. 120-125. 10.1021/bm9009667

Groessl, Michael, Terenghi, Mattia, Casini, Angela

, Elviri, Lisa, Lobinski, Ryszard and Dyson, Paul J. 2010. Reactivity of anticancer metallodrugs with serum proteins: new insights from size exclusion chromatography-ICP-MS and ESI-MS. Journal of Analytical Atomic Spectrometry 25 (3) , pp. 305-313. 10.1039/B922701F

Hallett, Andrew Jon, Adams, Christopher J., Anderson, Kirsty M., Baber, R. Angharad, Connelly, Neil G. and Prime, Christopher J. 2010. Homo- and heterodinuclear complexes of the tetrakis(pyrazolyl)borate ligand. Dalton Transactions 39 (25) , pp. 5899-5907. 10.1039/C0DT00044B

Hallett, Andrew Jon, Ward, Benjamin David

2010. Neutral and cationic cyclometallated Ir(III) complexes of anthra[1,2-d]-imidazole-6,11-dione-derived ligands: Syntheses, structures and spectroscopic characterisation. Journal of Organometallic Chemistry 695 (22) , pp. 2401-2409. 10.1016/j.jorganchem.2010.07.017

Hamilton, Tracy 2010. Paramagnetic NHC complexes of chromium and titanium, synthesis and chemistry. PhD Thesis, Cardiff University.

Hardwicke, Joseph, Moseley, Ryan

, Stephens, Philip

, Harding, Keith Gordon, Duncan, Ruth and Thomas, David William

2010. Bioresponsive dextrin-rhEGF conjugates: in vitro evaluation in models relevant to its proposed use as a treatment for chronic wounds. Molecular Pharmaceutics 7 (3) , pp. 699-707. 10.1021/mp9002656

Hayes, Simon, Knight, David Wiliiam, Smith, Andrew W.T. and OHalloran, Mark J. 2010. A general route to 5-substituted-2-furylacetic acids: a brief synthesis of plakorsin B. Tetrahedron Letters 51 (4) , pp. 717-719. 10.1016/j.tetlet.2009.11.120

Hayes, Simon, Knight, David William, Smith, Andrew W.T. and O'Halloran, Mark J. 2010. Erratum to "On the curious oxidations of 2-furylethanols" [Tetrahedron Lett. 51 (2010) 720-723]. Tetrahedron Letters 51 (16) , p. 2198. 10.1016/j.tetlet.2010.02.086

Hayes, Simon, Knight, David William, Smith, Andrew W.T. and O'Halloran, Mark J. 2010. On the curious oxidations of 2-furylethanols. Tetrahedron Letters 51 (4) , pp. 720-723. 10.1016/j.tetlet.2009.11.119

Hazzazi, Omar A., Huxter, Sharon Elizabeth, Taylor, Robert J., Palmer, Benjamin A., Gilbert, Lee Alexander and Attard, Gary Anthony 2010. Electrochemical studies of irreversibly adsorbed ethyl pyruvate on Pt{hkl} and epitaxial Pd/Pt{hkl} adlayers. Journal of Electroanalytical Chemistry 640 (1-2) , pp. 8-16. 10.1016/j.jelechem.2009.12.026

He, Q., Thomas, A., Edwards, Jennifer Kelly

and Kiely, Christopher John

2010. Identifying Potential Active Species in Au/ZnO CO Oxidation Catalysts [Abstract]. Microscopy and Microanalysis 16 (S2) , pp. 1188-1189. 10.1017/S1431927610060186

Hecht, Marie-Lyn, Tsai, Yu-Hsuan

, Liu, Xinyu, Wolfrum, Christian and Seeberger, Peter H. 2010. Synthetic inositol phosphoglycans related to GPI lack insulin-mimetic activity. ACS Chemical Biology 5 (11) , pp. 1075-1086. 10.1021/cb1002152

Henderson, Laura 2010. Acid-catalysed hydroaminations. PhD Thesis, Cardiff University.

Hill-Cousins, Joseph Thomas 2010. Desymmetrisation reactions of cyclohexa-1,4-dienes and marine natural product synthesis. PhD Thesis, Cardiff University.

Hughes, Colan Evan and Harris, Kenneth David Maclean

2010. Direct observation of a transient polymorph during crystallization. Chemical Communications- Royal Society of Chemistry 46 (27) , pp. 4982-4984. 10.1039/C0CC01007C

Hutchings, Graham John

2010. Dealloying Shows the Way to New Catalysts. Chemsuschem 3 (4) , pp. 429-430. 10.1002/cssc.201000043

Hutchings, Graham John

2010. Metal-cluster catalysts: Access granted. Nature Chemistry 2 (12) , pp. 1005-1006. 10.1038/nchem.868

Iglesias, Manuel Alonso, Beetstra, Dirk Johannes, Cavell, Kingsley John, Dervisi, Athanasia

, Harrington, Ross W., Clegg, William, Horton, Peter N., Coles, Simon J. and Hursthouse, Michael B. 2010. Expanded-ring and backbone-functionalised N-heterocyclic carbenes. European Journal of Inorganic Chemistry 2010 (11) , pp. 1604-1607. 10.1002/ejic.200901182

Innocenti, Massimo, Salvietti, Emanuele, Guidotti, Martina, Casini, Angela

, Bellandi, Silvano, Foresti, Maria Luisa, Gabbiani, Chiara, Pozzi, Andrea, Zatta, Paolo and Messori, Luigi 2010. Trace copper(II) or zinc(II) ions drastically modify the aggregation behavior of amyloid-beta{1-42}: an AFM study. Journal of Alzheimer's Disease 19 (4) , pp. 1323-1329. 10.3233/JAD-2010-1338

Izsak, Robert 2010. Theoretical modelling of hydrogen transfer reactions. PhD Thesis, Cardiff University.

Janeiro-Barral, Paula Estefania 2010. Properties of small pure and protonated ammonia clusters from theoretical methods. PhD Thesis, Cardiff University.

Jenkins, Robert Hywel

, Bennagi, Rasha, Martin, John, Phillips, Aled Owain

, Redman, James Edward

and Fraser, Donald James

2010. A conserved stem loop motif in the 5'Untranslated Region regulates transforming growth factor-β1 translation. PLoS One 5 (8) , e12283. 10.1371/journal.pone.0012283

Ji, Yaying, Fisk, Courtney, Easterling, Vencon, Graham, Uschi, Poole, Adam, Crocker, Mark, Choi, Jae-Soon, Partridge, William and Wilson, Karen 2010. NOx storage-reduction characteristics of Ba-based lean NOx trap catalysts subjected to simulated road aging. Catalysis Today 151 (3-4) , pp. 362-375. 10.1016/j.cattod.2009.12.009

Jing, Su, Morley, Christopher Peter, Gu, Cheng-Yun and Di Vaira, Massimo 2010. 1,5,9,13-Tetraselena[13]ferrocenophane: synthesis, complexation, crystallographic and electrochemical study. Dalton Transactions 39 (37) , pp. 8812-8819. 10.1039/c0dt00367k

Jones, Cameron, McDyre, Lucia, Murphy, Damien Martin

and Stasch, Andreas

2010. Magnesium(i) reduction of benzophenone and anthracene: first structural characterisation of a magnesium ketyl. Chemical Communications 46 (9) , pp. 1511-1513. 10.1039/b922002j

Jones, Kerri Louise 2010. New chemistry of hydroxylamines. PhD Thesis, Cardiff University.

Jones, Kevin Mark 2010. On the metal-free dihydroxylation of alkenes. PhD Thesis, Cardiff University.

Jury, Jasmine C., Kumara Swamy, Nalivela, Yazici, Arife, Morgan, Ian Rhys

, Willis, Anthony C. and Pyne, Stephen G. 2010. Metal-Catalyzed Cycloisomerization Reactions ofcis-4-Hydroxy-5-alkynylpyrrolidinones andsis-5-Hydroxy-6-alkynylpiperidinones: Synthesis of Furo[3,2-b]pyrroles and Furo[3,2-b]pyridines. Journal of Organic Chemistry 75 (4) , p. 1330. 10.1021/jo9025385

Kalagasidis Krušić, Melina, Veličković, Sava J., Griffiths, Peter Charles and Filipović, Jovanka 2010. Poly[(N-isopropylacrylamide)-co-(itaconic acid)] hydrogels with poly(ethylene glycol). Polymer International 59 (2) , pp. 256-262. 10.1002/pi.2717

Kaspera, Rüdiger, Cape, Jonathan L., Faraldos, Juan A., Ketchum, Raymond E. B. and Croteau, Rodney B. 2010. Synthesis and in vitro evaluation of taxol oxetane ring D precursors. Tetrahedron Letters 51 (15) , pp. 2017-2019. 10.1016/j.tetlet.2010.02.033

Kays, Deborah L.

2010. The stabilisation of organometallic complexes using m-terphenyl ligands. Fairlamb, Iain J. S. and Lynam, Jason M., eds. Organometallic Chemistry, Vol. 36. Royal Society of Chemistry, pp. 56-76. (10.1039/9781847559616-00056)

Khan, Zulfiqar Ali 2010. Novel iodine mediated carbocyclisations and hypervalent iodine(III) reagents. PhD Thesis, Cardiff University.

Khan, Zulfiqar Ali, Iwaoka, M. and Wirth, Thomas

2010. Novel cyclization cascades to functionalized indanes and tetrahydronaphthalenes. Tetrahedron 66 (33) , pp. 6639-6646. 10.1016/j.tet.2010.03.062

Kikkeri, Raghavendra, Liu, Xinyu, Adibekian, Alexander, Tsai, Yu-Hsuan

and Seeberger, Peter H. 2010. Facile synthesis of size dependent Ru(ii)?carbohydrate dendrimers via click chemistry. Chemical Communications 46 (13) , pp. 2197-2199. 10.1039/b925113h

Knight, David William, Morgan, Ian Rhys

and Proctor, Anthony James 2010. A simple oxidative procedure for the removal of ruthenium residues from metathesis reaction products. Tetrahedron Letters 51 (4) , pp. 638-640. 10.1016/j.tetlet.2009.11.092

Knight, David William, Proctor, Anthony James and Clough, John M. 2010. New regiospecific catalytic approaches to 4,5-dihydroisoxazoles and 2,5-dihydroisoxazoles from O-propargylic hydroxylamines. Synlett 2010 (04) , pp. 628-632. 10.1055/s-0029-1219365

Knight, James Christopher, Alvarez, Santiago, Amoroso, Angelo James

, Edwards, Peter Gerald

and Singh, Neha 2010. A novel bipyridine-based hexadentate tripodal framework with a strong preference for trigonal prismatic co-ordination geometries. Dalton Transactions 39 (16) , pp. 3870-3883. 10.1039/b924651g

Knight, James Christopher, Amoroso, Angelo James

, Edwards, Peter Gerald

, Prabaharan, Ravi and Singh, Neha 2010. The co-ordination chemistry of bis(2,2′-bipyrid-6′-yl)ketone with first row transition metals: the reversible interconversion of a mononuclear complex and a dinuclear hemiketal containing species. Dalton Transactions 39 (38) , pp. 8925-8936. 10.1039/c0dt00344a

Knight, James Christopher and Fallis, Ian Andrew

2010. 1,1'-(Ethane-1,2-diyl)bis(1,4,7-triazonane). Acta Crystallographica Section E Structure Reports Online E66 (6) , o1513. 10.1107/S1600536810019562

Knight, James Christopher, Prabaharan, Ravi, Ward, Benjamin David

, Edwards, Peter Gerald

2010. A facile one-pot synthesis of a new cryptand via a Pd(II)-catalysed carbonylation reaction. Dalton Transactions 39 (42) , pp. 10031-10033. 10.1039/C0DT01205J

Knighton, Richard Charles, Hallett, Andrew Jon, Kariuki, Benson

2010. A one-step synthesis towards new ligands based on aryl-functionalised thiazolo[5,4-d]thiazole chromophores. Tetrahedron Letters 51 (41) , pp. 5419-5422. 10.1016/j.tetlet.2010.07.172

Knowles, Peter James

and Cooper, Bridgette 2010. A linked electron pair functional. The Journal of Chemical Physics 133 (22) , 224106. 10.1063/1.3507876

Ladebeck, Oliver 2010. Studies of DNA repair by Cyclobutane pyrimidine dimers. PhD Thesis, Cardiff University.

Lee, Adam Fraser, Ellis, Christine Victoria, Wilson, Karen and Hondow, N. S. 2010. In situ studies of titania-supported Au shell-Pd core nanoparticles for the selective aerobic oxidation of crotyl alcohol. Catalysis Today 157 (1-4) , pp. 243-249. 10.1016/j.cattod.2010.04.032

Lee, Adam Fraser, Ellis, P. J., Fairlamb, I. J. S. and Wilson, Karen 2010. Surface catalysed Suzuki-Miyaura cross-coupling by Pd nanoparticles: an operando XAS study. Journal of the Chemical Society. Dalton Transactions 39 (43) , pp. 10473-10482. 10.1039/c0dt00412j

Lee, Adam Fraser, Prabhakaran, Vinod and Wilson, Karen 2010. Surface X-ray studies of catalytic clean technologies. Chemical Communications- Royal Society of Chemistry 46 (22) , pp. 3827-3842. 10.1039/C002853C

Lee, Adam Fraser and Wilson, Karen 2010. Preface [From the issue entitled "Heterogeneous Catalysis for Biodiesel Production; editors: Adam F. Lee and Karen Wilson"]. Topics in Catalysis 53 (11-12) , p. 713. 10.1007/s11244-010-9466-z

Leung, Perry, Tsolakis, Athanasios, Rodríguez-Fernández, José and Golunski, Stanislaw E.

2010. Raising the fuel heating value and recovering exhaust heat by on-board oxidative reforming of bioethanol. Energy and Environmental Science 3 (6) , pp. 780-788. 10.1039/b927199f

Lim, Gin Keat, Zhou, Zhongfu, Fujii, Kotaro, Calcagno, Patriza, Tedesco, Emilio, Kitchin, Simon J., Kariuki, Benson

, Philp, Douglas and Harris, Kenneth David Maclean

2010. Arrays of P=O dipoles as a recurrent structural motif in dis-diphenylphosphine oxides, established from powder x-ray diffraction. Crystal Growth and Design 10 (8) , pp. 3814-3818. 10.1021/cg100715v

Lin, Zhonjie, Weng, Weihao, Kiely, Christopher John

2010. The synthesis of highly crystalline vanadium phosphate catalysts using a diblock copolymer as a structure directing agent. Catalysis Today 157 (1-4) , pp. 211-216. 10.1016/j.cattod.2010.03.013

Logsdail, Andrew

, Cookson, Nikki J., Horswell, Sarah L., Wang, Z. W., Li, Z. Y. and Johnston, Roy L. 2010. Theoretical and Experimental Studies of the Optical Properties of Conjoined Gold-Palladium Nanospheres. Journal of Physical Chemistry C 114 (49) , pp. 21247-21251. 10.1021/jp108486a

Lopez-Sanchez, Jose Antonio, Dimitratos, Nikolaos

, Hammond, Ceri

, Ab Rahim, Mohd Hasbi, Manjaly Anthonykutty, Jinto, Carley, Albert Frederick, Tiruvalam, Ram C., Kiely, Christopher John

, Knight, David William and Hutchings, Graham John

2010. Using gold catalysts for upgrading glycerol from biodiesel production: Selective oxidation and synthesis of glycerol carbonate [Abstract]. Presented at: 240th ACS National Meeting, Boston, USA, 22-26 August 2010. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.

Loveridge, Edric Joel and Allemann, Rudolf Konrad

2010. The Temperature Dependence of the Kinetic Isotope Effects of Dihydrofolate Reductase from Thermotoga maritima Is Influenced by Intersubunit Interactions. Biochemistry 49 (25) , pp. 5390-5396. 10.1021/bi100761x

Loveridge, Edric Joel, Tey, Lai-Hock and Allemann, Rudolf Konrad

2010. Solvent effects on catalysis by Escherichia coli dihydrofolate reductase. Journal of the American Chemical Society 132 (3) , pp. 1137-1143. 10.1021/ja909353c

Luk, Yvonne, Allender, Christopher John and Wirth, Thomas

2010. Molecular imprinted polymers binding low functionality templates. Tetrahedron Letters 51 (45) , pp. 5883-5885. 10.1016/j.tetlet.2010.08.108

Luzon, J., Campo, J., Palacio, F., McIntyre, G. J., Rawson, J. M., Less, R. J., Pask, C. M., Alberola, A., Farley, R. D., Murphy, Damien Martin

and Goeta, A. E. 2010. Spin density studies on p-O2NC6F4CNSSN: A heavy p-block organic ferromagnet. Physical Review B: Condensed Matter and Materials Physics 81 (14) , 144429. 10.1103/PhysRevB.81.144429

Mantovani, Simone M., Gonzaga De Oliveira, Luciana and Marsaioli, Anita J. 2010. Esterase screening using whole cells of Brazilian soil microorganisms. Journal of the Brazilian Chemical Society 21 (8) , pp. 1484-1489. 10.1590/S0103-50532010000800011

Marti-Rujas, Javier, Morte-Ródenas, Anabel, Guo, Fang, Thomas, Nigel, Fujii, Kotaro, Kariuki, Benson

2010. A solid-state dehydration process in an organic material associated with substantial hydrogen-bond reorganization, investigated by powder x-ray diffraction. Crystal Growth and Design 10 (7) , pp. 3176-3181. 10.1021/cg100330c

McDyre, Lucia, Hamilton, Tracy, Murphy, Damien Martin

, Cavell, Kingsley John, Gabrielli, William F., Hanton, Martin J. and Smith, David M. 2010. A cw EPR and ENDOR investigation on a series of Cr(I) carbonyl complexes with relevance to alkene oligomerization catalysis: [Cr(CO)(4)L](+) (L = Ph2PN(R)PPh2, Ph2P(R)PPh2). Dalton Transactions 39 (33) , pp. 7792-7799. 10.1039/C0DT00127A

McFiggans, G., Bale, C. S. E., Ball, S. M., Beames, Joseph

, Bloss, W. J., Carpenter, L. J., Dorsey, J., Dunk, R., Flynn, M. J., Furneaux, K. L., Gallagher, M. W., Heard, D. E., Hollingsworth, A. M., Hornsby, K., Ingham, T., Jones, C. E., Jones, R. L., Kramer, L. J., Langridge, J. M., Leblanc, C., LeCrane, J. -P., Lee, J. D., Leigh, R. J., Longley, I., Mahajan, A. S., Monks, P. S., Oetjen, H., Orr-Ewing, A. J., Plane, J. M. C., Potin, P., Shillings, A. J. L., Thomas, F., von Glasow, R., Wada, R., Whalley, L. K. and Whitehead, J. D. 2010. Iodine-mediated coastal particle formation: an overview of the Reactive Halogens in the Marine Boundary Layer (RHaMBLe) Roscoff coastal study. Atmospheric Chemistry and Physics 10 (6) , pp. 2975-2999. 10.5194/acp-10-2975-2010

McGregor, James, Huang, Zhenyu, Parrott, Edward P.J., Zeitler, J. Axel, Nguyen, K. Lien, Rawson, Jeremy M., Carley, Albert Frederick, Hansen, Thomas W., Tessonnier, Jean-Philippe and Su, Dang Sheng 2010. Active coke: Carbonaceous materials as catalysts for alkane dehydrogenation. Journal of Catalysis 269 (2) , pp. 329-339. 10.1016/j.jcat.2009.11.016

McKeown, Neil B. and Budd, Peter M. 2010. Exploitation of Intrinsic Microporosity in Polymer-Based Materials. Macromolecules 43 (12) , pp. 5163-5176. 10.1021/ma1006396

McKeown, Neil B. 2010. Nanoporous molecular crystals. Journal of Materials Chemistry 20 (47) , pp. 10588-10597. 10.1039/c0jm01867h

McPartlin, Mary, Melen, Rebecca L.

, Naseri, Vesal and Wright, Dominic S. 2010. Formation and rearrangement of SnII phosphanediide cages. Chemistry - a European Journal 16 (29) , pp. 8854-8860. 10.1002/chem.201000656

Meenakshisundaram, Sankar

, Miedziak, Peter John, Brett, Gemma Louise, Jenkins, Robert Leyshon, Dimitratos, Nikolaos

, Knight, David William, Bethell, Donald and Hutchings, Graham John

2010. Oxidation of alcohols using supported gold and gold-palladium nanoparticles. Faraday Discussions 145 , pp. 341-356. 10.1039/b908172k

Meenakshisundaram, Sankar

, Satav, Srikanth and Manikandan, Palanichamy 2010. Transesterification of cyclic carbonates to Dimethyl Carbonate using solid oxide catalyst at ambient conditions: environmentally benign synthesis. ChemSusChem 3 (5) 10.1002/cssc.201000038

Mella, Massimo and Izzo, Lorella 2010. Structural properties of hydrophilic polymeric chains bearing covalently-linked hydrophobic substituents: Exploring the effects of chain length, fractional loading and hydrophobic interaction strength with coarse grained potentials and Monte Carlo simulations. Polymer 51 (15) , pp. 3582-3589. 10.1016/j.polymer.2010.05.013

Messori, Luigi, Casini, Angela

, Gabbiani, Chiara, Michelucci, Elena, Cubo, Leticia, Rios-Luci, Carla, Padron, Jose M., Navarro-Ranninger, Carmen and Quiroga, Adoracion G. 2010. Cytotoxic profile and peculiar reactivity with biomolecules of a novel "rule-breaker" iodidoplatinum(II) complex. ACS Medicinal Chemistry Letters 1 (8) , pp. 381-385. 10.1021/ml100081e

Metwally, Mohamed A., Khalifa, Mohamed E. and El-Hiti, Gamal A. 2010. Recent trends in the chemistry of aminobenzo[b]thiophenes. Journal of Sulfur Chemistry 31 (3) , pp. 205-229. 10.1080/17415991003721266

Mohamed, Metwally A., Abdel-Wahabb, Bakr F. and El-Hiti, Gamal A. 2010. 2-Acetylbenzofurans: synthesis, reactions and applications. Current Organic Chemistry 14 (1) , pp. 48-64. 10.2174/138527210790226401

Montero, J. M., Brown, D., Gai, P. L., Lee, Adam Fraser and Wilson, Karen 2010. In situ studies of structure-reactivity relations in biodiesel synthesis over nanocrystalline MgO. Chemical Engineering Journal 161 (3) , pp. 332-339.

Montero, J. M., Wilson, Karen and Lee, Adam Fraser 2010. Cs promoted triglyceride transesterification over MgO nanocatalysts. Topics in Catalysis 53 (11-12) , pp. 737-745. 10.1007/s11244-010-9461-4

Morgan, Ian Rhys

, Broomsgrove, Alexander E. J., Fitzpatrick, Philip, Vidovic, Dragoslav, Thompson, Amber L., Fallis, Ian Andrew

and Aldridge, Simon 2010. Anion recognition by highly sterically encumbered 1,2-diborylferrocenes. Organometallics 29 (21) , pp. 4762-4765. 10.1021/om1005337

Morgan, Kevin, Cole, Kieran J., Goguet, Alexandre, Hardacre, Christopher, Hutchings, Graham John

, Maguire, Nolene, Shekhtman, Sergiy O. and Taylor, Stuart H.

2010. TAP studies of CO oxidation over CuMnOX and Au/CuMnOX catalysts. Journal of Catalysis 276 (1) , pp. 38-48. 10.1016/j.jcat.2010.08.013

Morley, Christopher Peter, Webster, Christopher A., Douglas, Peter, Rofe, Karen and Di Vaira, Massimo 2010. Synthesis, characterisation and photochemistry of platinum diselenolenes. Dalton Transactions 39 (13) , pp. 3177-3189. 10.1039/b916605j

Mullice, Lucy and Pope, Simon J. A.

2010. The development of responsive, luminescent lifetime probes based upon axially functionalised fac-[Re(CO)3(di-imine)(L)]+ complexes. Dalton Transactions 39 (25) , pp. 5908-5917. 10.1039/c0dt00109k

Mura, Pasquale, Camalli, Mercedes, Casini, Angela

, Gabbiani, Chiara and Messori, Luigi 2010. Trans-cis-cis-[RuCl2(DMSO)2(2-amino-5-methyl-thiazole)2], (PMRu52), a novel ruthenium(II) compound acting as a strong inhibitor of cathepsin B. Journal of Inorganic Chemistry 104 (2) , pp. 111-117. 10.1016/j.jinorgbio.2009.10.002

Mutter, Shaun Thomas and Platts, James Alexis

2010. Modulation of stacking interactions by transition-metal coordination: ab initio benchmark studies. Chemistry - A European Journal 16 (18) , pp. 5391-5399. 10.1002/chem.200902813

Myakonkaya, Olesya, Deniau, Benoit, Eastoe, Julian, Rogers, Sarah E., Ghigo, Aurelie, Hollamby, Martin, Vesperinas, Ana, Meenakshisundaram, Sankar

2010. Recovery and reuse of nanoparticles by tuning solvent quality. Chemsuschem 3 (3) , pp. 339-341. 10.1002/cssc.200900280

Myakonkaya, Olesya, Deniau, Benoit, Eastoe, Julian, Rogers, Sarah E., Ghigo, Aurelie, Hollamby, Martin, Vesperinas, Ana, Meenakshisundaram, Sankar

2010. Recycling nanocatalysts by tuning solvent quality. Journal of Colloid and Interface Science 350 (2) , pp. 443-445. 10.1016/j.jcis.2010.06.064

Myshlyavtsev, A. V. and Stishenko, P. V. 2010. Monte Carlo model of CO adsorption on supported Pt nanoparticle. Applied Surface Science 256 (17) , pp. 5376-5380. 10.1016/j.apsusc.2009.12.084

NajeebUllah, Muhammad, Knight, David William, Munawar, Munawar Ali, Yaseen, Muhammad and Vincenzo, Fusillo 2010. Corrigendum to "A microwave-assisted synthesis of triphenodioxazines [TPDOs]" [Tetrahedron 66(2010) 6761-6764]. Tetrahedron 66 (44) , p. 8569. 10.1016/j.tet.2010.09.017

NajeebUllah, Muhammad, Knight, David William, Munawar, Munawar Ali, Yaseenx, Muhamad and Vincenzo, Fusillo 2010. A microwave-assisted synthesis of triphenodioxazines [TPDOs]. Tetrahedron 66 (34) , pp. 6761-6764. 10.1016/j.tet.2010.06.085

Naughton, J., Lee, Adam Fraser, Thompson, S., Vinod, C. P. and Wilson, Karen 2010. Reactivity of crotonaldehyde and propene over Au/Pd(111) surfaces. Physical Chemistry Chemical Physics 12 (11) , pp. 2670-2678. 10.1039/b921669c

Newman, Paul David

, Cavell, Kingsley John and Kariuki, Benson

2010. Metal complexes of chiral NHCs containing a fused six- and seven-membered central ring. Organometallics 29 (12) , pp. 2724-2734. 10.1021/om1002107

Nobili, Stefania, Mini, Enrico, Landini, Ida, Gabbiani, Chiara, Casini, Angela

and Messori, Luigi 2010. Gold compounds as anticancer agents: chemistry, cellular pharmacology, and preclinical studies. Medicinal Research Reviews 30 (3) , pp. 550-580. 10.1002/med.20168

Noel, Joseph P., Dellas, Nikki, Faraldos, Juan A., Zhao, M., Hess, A. Jr., Smentek, L., Coates, Robert M. and O'Maille, Paul E. 2010. Structural Elucidation of Cisoid and Transoid Cyclization Pathways of a Sesquiterpene Synthase Using 2-Fluorofarnesyl Diphosphates. ACS Chemical Biology 5 (4) , pp. 377-392. 10.1021/cb900295g

Oberli, Matthias A., Tamborrini, Marco, Tsai, Yu-Hsuan

, Werz, Daniel B., Horlacher, Tim, Adibekian, Alexander, Gauss, Dominik, Mo?ller, Heiko M., Pluschke, Gerd and Seeberger, Peter H. 2010. Molecular analysis of carbohydrate−antibody interactions: case study using a bacillus anthracis tetrasaccharide. Journal of the American Chemical Society 132 (30) , pp. 10239-10241. 10.1021/ja104027w

Ogura, Fumio, Otsubo, Tetsuo, Wirth, Thomas

and Khan, Zulfiqar Ali 2010. Dimethyl selenoxide. Paquette, Leo A., ed. E-EROS encyclopedia of reagents for organic synthesis, Chichester: Wiley,

Onel, Lavinia and Buurma, Niklaas Jan

2010. Reactivity in organised assemblies. Annual Reports Section "B" (Organic Chemistry) 106 , pp. 344-375. 10.1039/b927079p

Palmer, Benjamin A., Harris, Kenneth David Maclean

and Guillaume, François 2010. A strategy for retrospectively mapping the growth history of a crystal. Angewandte Chemie 49 (30) , pp. 5096-5100. 10.1002/anie.201000952

Paul, Alison

, Cooper, Catherine, Wess, Timothy James, Thomas, Kate, Heenan, Richard, King, Stephen and Griffiths, Peter Charles 2010. A contrast variation small-angle scattering study of the microstructure of 2,5-dimethyl-7-hydroxy-2,5-diazaheptadecane-toluene-butanol oil-in-water metallomicroemulsions. Soft Matter 6 (11) , pp. 2552-2556. 10.1039/b926812j

Paul, Alison

, James, Craig, Heenan, Richard K. and Schweins, Ralf 2010. Drug mimic induced conformational changes in model polymer-drug conjugates characterized by small-angle neutron scattering. Biomacromolecules 11 (8) , pp. 1978-1982. 10.1021/bm1003338

Paul, Alison

, Talbot, Gemma Louise, Bowles, James William, James, Jennifer, Griffiths, Peter Charles and Rogueda, Philippe G. 2010. Partitioning and phase equilibria of PEGylated excipients in fluorinated liquids. International Journal of Pharmaceutics 387 (1-2) , pp. 230-235. 10.1016/j.ijpharm.2009.12.004

Pelletier, Frederic, Comte, Virginie, Massard, Alexandre, Wenzel, Margot, Toulot, Stephanie, Richard, Philippe, Picquet, Michel, Le Gendre, Pierre, Zava, Olivier, Edafe, Fabio, Casini, Angela

and Dyson, Paul J. 2010. Development of bimetallic titanocene-ruthenium-arene complexes as anticancer agents: relationships between structural and biological properties. Journal of Medicinal Chemistry 53 (19) , pp. 6923-6933. 10.1021/jm1004804

Pera Titus, Marc and Llorens, Joan 2010. Evaluation of confinement effects in zeolites under Henry's adsorption regime. Applied Surface Science 256 (17) , pp. 5305-5310. 10.1016/j.apsusc.2009.12.067

Pera-Titus, Marc 2010. On an isotherm thermodynamically consistent in Henry’s region for describing gas adsorption in microporous materials. Journal of Colloid and Interface Science 345 (2) , pp. 410-416. 10.1016/j.jcis.2010.01.027

Pera-Titus, Marc, Savonnet, Marie and Farrusseng, David 2010. Evaluation of energy heterogeneity in metal−organic frameworks: absence of Henry’s region in MIL-53 and MIL-68 materials? Journal of Physical Chemistry C 114 (41) , pp. 17665-17674. 10.1021/jp104788p

Perry, William S., Pope, Simon J. A.

, Allain, Clémence, Coe, Benjamin J., Kenwright, Alan M. and Faulkner, Stephen 2010. Synthesis and photophysical properties of kinetically stable complexes containing a lanthanide ion and a transition metal antenna group. Dalton Transactions 39 (45) , pp. 10974-10983. 10.1039/c0dt00877j

Petretto, G.L., Wang, M.A., Zucca, A. and Rourke, J.P.

2010. Platinum(II) N-heterocyclic carbene complexes: coordination and cyclometallation. Dalton Transactions 39 (33) , pp. 7822-7825. 10.1039/c0dt00435a

Piccinini, Marco

, Ntainjua Ndifor, Edwin, Edwards, Jennifer Kelly

, Carley, Albert Frederick, Moulijn, Jacob and Hutchings, Graham John

2010. Effect of the reaction conditions on the performance of Au-Pd/TiO2 catalyst for the direct synthesis of hydrogen peroxide. Physical Chemistry Chemical Physics 12 (10) , pp. 2488-2492. 10.1039/b921815g

Platts, James Alexis

and Hill, John Grant 2010. Non-covalent interactions using local correlation methods: energy partitioning, geometry optimisation and harmonic frequency calculations. Molecular Physics 108 (11) , pp. 1497-1504. 10.1080/00268971003757977

Polisski, S., Goller, B., Wilson, Karen, Kovalev, D., Zaikowskii, V. and Lapkin, A. 2010. In situ synthesis and catalytic activity in CO oxidation supported on porous nanocrystalline silicon. Journal of Catalysis 271 (1) , pp. 59-66. 10.1016/j.jcat.2010.02.002

Pothupitiya, Thusith Kosala 2010. Co-ordination and organometallic chemistry of facially capping tridentate macrocycle [12]-ane-P3(IPR)3. PhD Thesis, Cardiff University.

Pritchard, James Charles, He, Qian

, Ntainjua Ndifor, Edwin, Piccinini, Marco

, Herzing, Andrew A., Carley, Albert Frederick, Moulijn, Jacob, Kiely, Christopher John

2010. The effect of catalyst preparation method on the performance of supported Au-Pd catalysts for the direct synthesis of hydrogen peroxide. Green Chemistry 12 (5) , pp. 915-921. 10.1039/b924472g

Pritchard, James Charles, Kesavan, Lokesh, Piccinini, Marco

, He, Qian

, Tiruvalam, Ramchandra, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Carley, Albert Frederick, Edwards, Jennifer Kelly

, Kiely, Christopher John

2010. Direct Synthesis of Hydrogen Peroxide and Benzyl Alcohol Oxidation Using Au−Pd Catalysts Prepared by Sol Immobilization. Langmuir 26 (21) , pp. 16568-16577. 10.1021/la101597q

Pritchard, James Charles, Kesavan, Lokesh, Piccinini, Marco

, He, Qian, Tiruvalam, Ramchandra, Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Carley, Albert Frederick, Edwards, Jennifer Kelly

, Kiely, Christopher J. and Hutchings, Graham John

2010. Selective oxidation using supported gold and gold palladium nanoparticles prepared by sol-immobilisation. Zeitschrift für anorganische und allgemeine Chemie 636 (11) , p. 2034. 10.1002/zaac.201007002

Puertolas, B, Solsona, Benjamin Espriu, Agouram, S., Murillo, R., Mastral, A. M., Avanda, A., Taylor, Stuart H.

and Garcia, T. 2010. The catalytic performance of mesoporous cerium oxides prepared through a nanocasting route for the total oxidation of naphthalene. Applied Catalysis B: Environmental 93 (3-4) , pp. 395-405. 10.1016/j.apcatb.2009.10.014

Quideau, S. and Wirth, Thomas

2010. Hypervalent iodine chemistry-recent advances and applications [Preface]. Tetrahedron 66 (31) , pp. 5737-5738. 10.1016/j.tet.2010.06.026

Ragoussi, Maria-Eleni, Walker, Stephen M., Piccanello, Andrea, Kariuki, Benson

, Horton, Peter N., Spencer, Neil and Snaith, John S. 2010. Stereoselective synthesis of 2,4,5-trisubstituted piperidines via radical cyclization. Journal of Organic Chemistry 75 (21) , pp. 7347-7357. 10.1021/jo101631y

Rakotovao, Volaniana, Ammar, Rachid, Miachon, Sylvain and Pera-Titus, Marc 2010. Influence of the mesoconfining solid on gas oversolubility in nanoliquids. Chemical Physics Letters 485 (4-6) , pp. 299-303. 10.1016/j.cplett.2009.12.038

Ren, Jia, Wang, Wenzhong, Shang, Meng, Sun, Songmei, Zhang, Ling and Chang, Jiang 2010. Photocatalytic activity of silver vanadate with one-dimensional structure under fluorescent light. Journal of Hazardous Materials 183 (1-3) , 950--953. 10.1016/j.jhazmat.2010.07.108

Robinson, M. C. W., Davies, A. M., Mabbet, I., Davies, T. E., Apperley, D. C., Taylor, S. H.

and Graham, A. E. 2010. Synthesis of nanoporous aluminosilicate materials and their application as highly selective heterogeneous catalysts for the synthesis of Î²-amino alcohols. Journal of Molecular Catalysis A: Chemical 329 (1-2) , pp. 57-63. 10.1016/j.molcata.2010.06.018

Roldan Martinez, Alberto

, Boronat, Merce, Corma, Avelino and Illas, Francesc 2010. Theoretical confirmation of the enhanced facility to increase oxygen vacancy concentration in TiO2 by iron doping. Journal of Physical Chemistry C 114 (14) , pp. 6511-6517. 10.1021/jp911851h

Roldan Martinez, Alberto

, Manel Ricart, Josep, Illas, Francesc and Pacchioni, Gianfranco 2010. O-2 adsorption and dissociation on neutral, positively and negatively charged Au-n (n=5-79) clusters. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 12 (36) , pp. 10723-10729. 10.1039/C004110F

Roldan Martinez, Alberto

, Manel Ricart, Josep, Illas, Francesc and Pacchioni, Gianfranco 2010. O-2 activation by Au-5 clusters stabilized on clean and electron-rich MgO stepped surfaces. Journal of Physical Chemistry C 114 (40) , pp. 16973-16978. 10.1021/jp1017357

Roldan Martinez, Alberto

, Novell, Gerard, Ricart, Josep M. and Illas, Francesc 2010. Theoretical simulation of temperature programmed desorption of molecular oxygen on isolated Au nanoparticles from density functional calculations and microkinetics models. Journal of Physical Chemistry C 114 (11) , pp. 5101-5106. 10.1021/jp911283j

Ruiz Hernandez, Sergio

, Grau-Crespo, Ricardo, Ruiz-Salvador, A. Rabdel and de Leeuw, Nora

2010. Thermochemistry of strontium incorporation in aragonite from atomistic simulations. Geochimica et Cosmochimica Acta 74 (4) , pp. 1320-1328. 10.1016/j.gca.2009.10.049

Salter, Rebecca C. 2010. Studies on transforming growth factor-B signalling and the regulation of gene expression in macrophages. PhD Thesis, Cardiff University.

Sathiyajith, Cuhananthan Wijayanayagam 2010. Investigations towards new multidentate ligands as potential multimodal imaging agents. PhD Thesis, Cardiff University.

Schäfer, Sascha and Wirth, Thomas

2010. A versatile and highly reactive polyfluorinated hypervalent iodine(III) compound. Angewandte Chemie. International Edition 49 (15) , pp. 2786-2789. 10.1002/anie.200907134

Seeber, Georg, Cooper, Geoffrey J. T., Newton, Graham N., Rosnes, Mali H., Long, De-Liang, Kariuki, Benson

, Kögerler, Paul and Cronin, Leroy 2010. Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry. Chemical Science 1 (1) , pp. 62-67. 10.1039/c0sc00264j

Shahzad, Sohail Anjum

2010. Novel selenium-mediated cyclisations. PhD Thesis, Cardiff University.

Shahzad, Sohail Anjum

, Venin, Claire and Wirth, Thomas

2010. Diselenide- and Disulfide-Mediated Synthesis of Isocoumarins. European Journal of Organic Chemistry (18) , pp. 3465-3472. 10.1002/ejoc.201000308

Shahzad, Sohail Anjum

, Vivant, Clotilde and Wirth, Thomas

2010. Selenium-Mediated Synthesis of Biaryls through Rearrangement. Organic Letters 12 (6) , pp. 1364-1367. 10.1021/ol100274e

Shamsuddin, Siti-Ros, Ho, Kingsley K. C., Lamoriniere, Steven, Lee, Adam Fraser and Bismarck, Alexander 2010. Impact of in-line atmospheric plasma fluorination of carbon fibers on the performance of unidirectional, carbon fiber-reinforced polyvinylidene fluoride. Advances in Polymer Technology 29 (2) , pp. 86-97. 10.1002/adv.20175

Shang, Meng, Wang, Wenzhong, Ren, Jia, Sun, Songmei and Zhang, Ling 2010. A novel BiVO4 hierarchical nanostructure: controllable synthesis, growth mechanism, and application in photocatalysis. CrystEngComm 12 (6) , p. 1754. 10.1039/b923115c

Shang, Meng, Wang, Wenzhong, Yin, Wenzong, Ren, Jia, Sun, Songmei and Zhang, Ling 2010. General Strategy for a Large-Scale Fabric with Branched Nanofiber-Nanorod Hierarchical Heterostructure: Controllable Synthesis and Applications. Chemistry : a European Journal 16 (37) , 11412--11419. 10.1002/chem.201000639

Sharma, Pankaj

, Kaur, Ramnit, Baskar, Chinnappan and Chung, Wook-Jin 2010. Removal of methylene blue from aqueous waste using rice husk and rice husk ash. Desalination 259 (1-3) , pp. 249-257. 10.1016/j.desal.2010.03.044

Shiju, N. R., Brown, D. R., Wilson, Karen and Rothenberg, G. 2010. Glycerol valorization: dehydration to acrolein over silica-supported niobia catalysts. Topics in Catalysis 53 (15-18) , pp. 1217-1223. 10.1007/s11244-010-9566-9

Short, Rhys Bryan 2010. Phthalocyanine dimers and PIMs based on hexaphenylbenzene. PhD Thesis, Cardiff University.

Sithamparappillai, Umacaran, Nuno, Jesus Luque, Dummer, Nicholas

, Weng, Weihao, Kiely, Christopher John

2010. Effect on the structure and morphology of vanadium phosphates of the addition of alkanes during the alcoholreduction of VOPO4·2H2O. Journal of Materials Chemistry 20 (25) , pp. 5310-5318. 10.1039/c0jm00403k

Sloan, J., Liu, Z., Suenaga, K., Wilson, N.R., Pandey, P.A., Perkins, L.M., Rourke, J.P.

and Shannon, I.J. 2010. Imaging the Structure, Symmetry, and Surface-Inhibited Rotation of Polyoxometalate Ions on Graphene Oxide. Nano Letters 10 (11) , pp. 4600-4606. 10.1021/nl1026452

Smith, Keith, El-Hiti, Gamal A. and Hegazy, Amany Saber 2010. One-pot synthesis of substituted isoindolin-1-ones via lithiation and substitution of N'-benzyl-N,N-dimethylureas. Chemical Communications 46 (16) , pp. 2790-2792. 10.1039/B926983E

Smith, Keith, Ajarim, Mansour Dahish and El-Hiti, Gamal A. 2010. Regioselective nitration of deactivated mono-substituted benzenes using acyl nitrates over reusable acidic zeolite catalysts. Catalysis Letters 134 (3-4) , pp. 270-278. 10.1007/s10562-009-0258-7

Smith, Keith, El-Hiti, Gamal A. and Hegazy, Amany Saber 2010. Lateral Lithiation of N'-(2-Methylbenzyl)-N,N-dimethylurea and N-(2-Methylbenzyl)pivalamide: synthesis of Tetrahydroisoquinolines. Synthesis (Stuttgart) (8) , pp. 1371-1380. 10.1055/s-0029-1219277

Smith, Keith, El-Hiti, Gamal A., Hegazy, Amany Saber and Shalabi, Ahmed Fekri 2010. A simple and convenient high yielding synthesis of substituted isoindolines. Heterocycles 80 (2) , pp. 941-956. 10.3987/COM-09-S(S)61

Sumner, Petroc

, Edden, Richard Anthony Edward, Bompas, Aline

, Evans, Christopher John

and Singh, Krish Devi

2010. More GABA, less distraction: a neurochemical predictor of motor decision speed. Nature Neuroscience 13 (7) , pp. 825-827. 10.1038/nn.2559

Sun, Songmei, Wang, Wenzhong, Shang, Meng, Ren, Jia and Zhang, Ling 2010. Efficient catalytic oxidation of tetraethylated rhodamine over ordered mesoporous manganese oxide. Journal of Molecular Catalysis A: Chemical 320 (1-2) , 72--78. 10.1016/j.molcata.2010.01.006

Sun, Songmei, Wang, Wenzhong, Zeng, Shaozhong, Shang, Meng and Zhang, Ling 2010. Preparation of ordered mesoporous Ag/WO3 and its highly efficient degradation of acetaldehyde under visible-light irradiation. Journal of hazardous materials 178 (1-3) , 427--433. 10.1016/j.jhazmat.2010.01.098

Sundaram, G. S. M., Morgan, Ian Rhys

and Tippmann, Eric Michael 2010. Synthesis of bioorthogonal and crosslinking amino acids for use in peptide synthesis. Amino Acids 39 (5) , pp. 1381-1384. 10.1007/s00726-010-0594-3

Taufiq-Yap, Yun, Theam, K. L., Hutchings, Graham John

2010. The Effect of Cr, Ni, Fe, and Mn Dopants on the Performance of Hydrothermal Synthesized Vanadium Phosphate Catalysts for n-Butane Oxidation. Petroleum Science and Technology 28 (10) , pp. 997-1012. 10.1080/10916460903058004

Taylor, Paul Haydn 2010. Metal free a-oxygenation of carbonyl compounds. PhD Thesis, Cardiff University.

Taylor, Robert Jon 2010. Study on the surface adsorbates of an enantioselective, heterogeneously catalysed, hydrogenation reaction. PhD Thesis, Cardiff University.

Tey, Lai-Hock, Loveridge, Edric Joel, Swanwick, Richard, Flitsch, Sabine L. and Allemann, Rudolf Konrad

2010. Highly site-selective stability increases by glycosylation of dihydrofolate reductase. FEBS Journal 277 (9) , pp. 2171-2179. 10.1111/j.1742-4658.2010.07634.x

Theodosiou, Alex

2010. Simulation of irradiated graphite. PhD Thesis, Cardiff University.

Theodosiou, Alex

2010. Ion-induced damage in graphite: A Raman study. Journal of Nuclear Materials 403 (1-3) , pp. 108-112. 10.1016/j.jnucmat.2010.06.007

Tonkins, Alexander John 2010. Synthesis of novel spirobisfluorenes as precursors to microporous polymers and inclusion compounds. PhD Thesis, Cardiff University.

Torrente-Murciano, L., Lapkin, A., Nielsen, David J., Fallis, Ian Andrew

and Cavell, Kingsley John 2010. Telomerisation of long-chain dienes with alcohols using Pd(IMes)(dvds) catalyst. Green Chemistry 12 (5) , pp. 866-869. 10.1039/B921573E

Vergara, Elena, Casini, Angela

, Sorrentino, Francesca, Zava, Olivier, Cerrada, Elena, Rigobello, Maria Pia, Bindoli, Alberto, Laguna, Mariano and Dyson, Paul J. 2010. Anticancer therapeutics that target selenoenzymes: synthesis, characterization, in vitro cytotoxicity, and thioredoxin reductase inhibition of a series of gold(I) complexes containing hydrophilic phosphine ligands. ChemMedChem 5 (1) , pp. 96-102. 10.1002/cmdc.200900370

Vergara, Elena, Cerrada, Elena, Casini, Angela

, Zava, Olivier, Laguna, Mariano and Dyson, Paul J. 2010. Antiproliferative activity of gold(I) alkyne complexes containing water-soluble phosphane ligands. Organometallics 29 (11) , pp. 2596-2603. 10.1021/om100300a

Vidovic, Dragoslav, Pierce, Glesni A., Coombs, Natalie D., Kays, Deborah L.

, Thompson, Amber L., Stasch, Andreas

and Aldridge, Simon 2010. Synthesis and structural characterization of terminal (diisopropylamino) borylene complexes of group 8 metals. Main Group Chemistry 9 (1-2) , pp. 57-65. 10.3233/mgc-2010-0005

Villa, Alberto, Wang, Di, Dimitratos, Nikolaos

, Su, Dangsheng, Trevisan, Valentina and Prati, Laura 2010. Pd on carbon nanotubes for liquid phase alcohol oxidation. Catalysis Today 150 (1-2) , pp. 8-15. 10.1016/j.cattod.2009.06.009

Vinck, Evi, Murphy, Damien Martin

, Strevens, Robert Ross and Van Doorslaer, Sabine 2010. Formation of a Cobalt(III)-Phenoxyl Radical Complex by Acetic Acid Promoted Aerobic Oxidation of a Co(II)salen Complex. Inorganic Chemistry 49 (5) , pp. 2083-2092. 10.1021/ic901849e

Walker, Jonathan Keith Earl 2010. Novel polymers and dendrimers of intrinsic microporosity derived from triptycene and other monomers of high internal free volume. PhD Thesis, Cardiff University.

Wang, Lu, Wang, Wenzhong, Shang, Meng, Sun, Songmei, Yin, Wenzong, Ren, Jia and Zhou, Jing 2010. Visible light responsive bismuth niobate photocatalyst: enhanced contaminant degradation and hydrogen generation. Journal of Materials Chemistry 20 (38) , p. 8405. 10.1039/c0jm01669a

Wang, Lu, Wang, Wenzhong, Shang, Meng, Yin, Wenzong, Sun, Songmei and Zhang, Ling 2010. Enhanced photocatalytic hydrogen evolution under visible light over Cd1−xZnxS solid solution with cubic zinc blend phase. International Journal of Hydrogen Energy 35 (1) , 19--25. 10.1016/j.ijhydene.2009.10.084

Weekes, Ashley Ann, Dix, Matthew C., Bagley, Mark Christopher and Westwell, Andrew D.

2010. Rapid and convenient thermal or microwave-assisted synthesis of substituted 2-Phenylbenzothiazoles. Synthetic Communications 40 (20) , pp. 3027-3032. 10.1080/00397910903353739

Weng, Weihao, Al Otaibi, Raja, Dummer, Nicholas

and Kiely, Christopher John

2010. Electron Microscopy Studies of V-P-O Catalyst Precursors: Defining the Dihydrate to Hemihydrate Phase Transformation [Abstract]. Microscopy and Microanalysis 16 (S2) , pp. 1198-1199. 10.1017/S1431927610059805

Wheelhouse, Richard T., Garbett, Nichola C., Buurma, Niklaas Jan

and Chaires, Jonathan B. 2010. Probing the molecular recognition of a DNA-RNA hybrid duplex. Angewandte Chemie International Edition 49 (18) , pp. 3207-3210. 10.1002/anie.200907235

Wilson, Karen and Lee, Adam Fraser 2010. Applications of XPS to the study of inorganic compounds. Yarwood, Jack, Douthwaite, Richard and Duckett, Simon, eds. Spectroscopic Properties of Inorganic and Organometallic Compounds: Techniques, Materials and Applications, Specialist periodical report, vol. 41. Cambridge: Royal Society of Chemistry, pp. 72-86. (10.1039/9781849730853-00072)

Wilson, N. R., Pandey, P. A., Beanland, R., Rourke, J. P.

, Lupo, U. and Romer, R. A. 2010. On the structure and topography of free-standing chemically modified graphene. New Journal of Physics 12 , 125010. 10.1088/1367-2630/12/12/125010

Woods, Philip A., Morrill, Louis

, Lebl, Tomas, Slawin, Alexandra M. Z., Bragg, Ryan A. and Smith, Andrew D. 2010. Isothiourea-mediated stereoselectiveC-acylation of silyl ketene acetals. Organic Letters 12 (11) , pp. 2660-2663. 10.1021/ol1008747

Xu, Jiehui, Wang, Wenzhong, Shang, Meng, Sun, Songmei, Ren, Jia and Zhang, Ling 2010. Efficient visible light induced degradation of organic contaminants by Bi2WO6 film on SiO2 modified reticular substrate. Applied Catalysis B: Environmental 93 (3-4) , 227--232. 10.1016/j.apcatb.2009.09.033

Xu, Chunli, Enache, Dan, Lloyd, Rhys, Knight, David William, Bartley, Jonathan Keith

2010. Mgo Catalysed Triglyceride Transesterification for Biodiesel Synthesis. Catalysis Letters 138 (1-2) , pp. 1-7. 10.1007/s10562-010-0365-5

Yang, Yu-Liang, Yang, Feng-Ling, Huang, Zih-You, Tsai, Yu-Hsuan

, Zou, Wei and Wu, Shih-Hsiung 2010. Structural variation of glycolipids from Meiothermus taiwanensis ATCC BAA-400 under different growth temperatures. Organic & Biomolecular Chemistry 8 (19) , pp. 4252-4254. 10.1039/c0ob00169d

Yeo, Benjamin Roy, Hallett, Andrew Jon, Kariuki, Benson

2010. The Re(I) coordination chemistry of a series of pyrido[2,3-b]pyrazine-derived ligands: Syntheses, characterisation and crystal structures. Polyhedron 29 (3) , pp. 1088-1094. 10.1016/j.poly.2009.11.013

Yin, Wenzong, Wang, Wenzhong and Sun, Songmei 2010. Photocatalytic degradation of phenol over cage-like Bi2MoO6 hollow spheres under visible-light irradiation. Catalysis Communications 11 (7) , 647--650. 10.1016/j.catcom.2010.01.014

Yin, Wenzong, Wang, Wenzhong, Zhou, Lin, Sun, Songmei and Zhang, Ling 2010. CTAB-assisted synthesis of monoclinic BiVO4 photocatalyst and its highly efficient degradation of organic dye under visible-light irradiation. Journal of Hazardous Materials 173 (1-3) , p. 194. 10.1016/j.jhazmat.2009.08.068

Yonemoto, Isaac T. and Tippmann, Eric Michael 2010. The juggernauts of biology [Commentary]. BioEssays 32 (4) , pp. 314-321. 10.1002/bies.200900142

Zhang, Ling, Wang, Wenzhong, Sun, Songmei, Xu, Jiehui, Shang, Meng and Ren, Jia 2010. Hybrid Bi2SiO5 mesoporous microspheres with light response for environment decontamination. Applied Catalysis B: Environmental 100 (1-2) , 97--101. 10.1016/j.apcatb.2010.07.018

Zhang, Zhijie, Wang, Wenzhong, Yin, Wenzong, Shang, Meng, Wang, Lu and Sun, Songmei 2010. Inducing photocatalysis by visible light beyond the absorption edge: Effect of upconversion agent on the photocatalytic activity of Bi2WO6. Applied Catalysis B: Environmental 101 (1-2) , pp. 68-73. 10.1016/j.apcatb.2010.09.008

Zhao, L. W., Li, Z. and Wirth, Thomas

2010. Triptycene Derivatives: Synthesis and Applications. Chemistry Letters 39 (7) , pp. 658-667.

2009

Allemann, Rudolf Konrad

and Scrutton, N. S., eds. 2009. Quantum tunnelling in enzyme-catalysed reactions. RSC biomolecular sciences, vol. 18. Cambridge: RSC Publishing.

Bowker, Michael

and Davies, Philip Rosser

, eds. 2009. Scanning tunneling microscopy in surface science. Weinheim: Wiley-VCH.

Ahmed-Omer, Batoul, Barrow, David Anthony

and Wirth, Thomas

2009. Heck reactions using segmented flow conditions. Tetrahedron Letters 50 (26) , pp. 3352-3355. 10.1016/j.tetlet.2009.02.133

Allemann, Rudolf Konrad

2009. Cystine-based Scaffolds for Functional Miniature Proteins. Moroder, L. and Buchner, J., eds. Oxidative Folding of Peptides and Proteins, London: RSC Publishing, pp. 381-395. (10.1039/9781847559265-00381)

Allemann, Rudolf Konrad

, Evans, Rhiannon Mari and Loveridge, Edric Joel 2009. Probing coupled motions in enzymatic hydrogen tunnelling reactions. Biochemical Society Transactions 37 , pp. 349-353. 10.1042/BST0370349

Allemann, Rudolf Konrad

, Young, Neil James, Ma, Shuhua, Truhlar, Donald G. and Gao, Jiali 2009. Synthetic Efficiency in Enzyme Mechanisms Involving Carbocations: Aristolochene Synthase [Addition/Correction]. Journal of the American Chemical Society 131 (27) , p. 9600. 10.1021/ja904281h

Allender, Christopher John, Castell, Oliver Kieran

, Fiddy, Steven, Hedin-Dahlström, Jimmy Arne Christer and Stockenhuber, Michael 2009. A glimpse of the inner workings of the templated site. Chemical Communications 2009 (2) , pp. 165-167. 10.1039/b811578h

Almazroai, Layla S. 2009. Photocatalytic hydrogen production. PhD Thesis, Cardiff University.

Altug, C., Durust, Y., Elliott, Mark Christopher

2009. Tandem nitrosation/cycloaddition of heterocyclic enamines using nitrolic acids. Tetrahedron Letters 50 (34) , pp. 4919-4921. 10.1016/j.tetlet.2009.06.065

Altug, Cevher, Dürüst, Yasar and Elliott, Mark Christopher

2009. Reactions of alkylidenepyrrolidines with alpha-chlorooximes and alpha-chlorohydrazones. Tetrahedron Letters 50 (52) , pp. 7392-7394. 10.1016/j.tetlet.2009.10.086

Amoroso, Angelo James

, Edwards, Peter Gerald

, Howard, Sian T., Kariuki, Benson

, Knight, James Christopher, Ooi, Liling, Malik, K. M. Abdul, Stratford, Lisa and Al-Sudani, A.-R. H. 2009. The synthesis and coordination chemistry of a tris-8-aminoquinoline tripodal ligand. Dalton Transactions (39) , pp. 8356-8362. 10.1039/b909122j

Andrews, Michael Bryan, Laye, R. H. and Pope, Simon J. A.

2009. A luminescent rhenium(I) complex of 2,7-dimethyl-1,8-naphthyridine: synthesis, spectroscopy and X-ray crystal structure. Transition Metal Chemistry 34 (5) , pp. 493-497. 10.1007/s11243-009-9221-0

Andrews, Michael Bryan, Ward, Benjamin David

, Laye, R. A., Kariuki, Benson

2009. Sensitized Lanthanide-Ion Luminescence with Aryl-Substituted N-(2-Nitrophenyl)acetamide-Derived Chromophores. Helvetica Chimica Acta 92 (11) , pp. 2159-2172. 10.1002/hlca.200900108

Antonczak, Alicja K., Simova, Zuzana and Tippmann, Eric Michael 2009. A Critical Examination of Escherichia coli Esterase Activity. Journal of Biological Chemistry 284 (42) , pp. 28795-28800. 10.1074/jbc.M109.027409

Aranda, A., Lopez, J. M., Murillo, R., Mastral, A. M., Dejoz, A., Vazquez, I., Solsona, B., Taylor, Stuart H.

and Garcia, T. 2009. Total oxidation of naphthalene with high selectivity using a ceria catalyst prepared by a combustion method employing ethylene glycol. Journal of Hazardous Materials 171 (1-3) , pp. 393-399. 10.1016/j.jhazmat.2009.06.013

Arthur, R. J., Coogan, Michael Peter, Casadesus, Meritxell, Haigh, R., Headspith, D. A., Francesconi, M. G. and Laye, R. H. 2009. Stereostructural behaviour of N-N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation. Crystengcomm 11 (4) , pp. 610-619. 10.1039/b814424a

Ashley, Andrew E., Cowley, Andrew R., Green, Jennifer C., Johnston, David R., Watkin, David J. and Kays, Deborah L.

2009. Synthesis and characterisation of low-coordinate transition-metal complexes stabilised by sterically demanding carbazolido ligands. European Journal of Inorganic Chemistry (17) , pp. 2547-2552. 10.1002/ejic.200900170

Badry, M. G. A., Kariuki, Benson

, Knight, David William and Mohammed, F. K. 2009. 6-exo versus 7-endo iodolactonizations of 2-(alkynyl)phenylacetic acids. Tetrahedron Letters 50 (13) , pp. 1385-1388. 10.1016/j.tetlet.2008.12.097

Bagley, Mark Christopher, Davis, Terence

, Dix, Matthew Charles, Fusillo, Vincenzo, Pigeaux, Morgane, Rokicki, Michal Jaroslaw and Kipling, David Glyn 2009. Microwave-assisted Ullmann C-S bond formation: synthesis of the P38 alpha MAPK clinical candidate VX-745. Journal of Organic Chemistry 74 (21) , pp. 8336-8342. 10.1021/jo9017155

Bagley, Mark Christopher, Dix, M. C. and Fusillo, V. 2009. Rapid Ullmann-type synthesis of aryl sulfides using a copper(I) catalyst and ligand under microwave irradiation. Tetrahedron Letters 50 (26) , pp. 3661-3664. 10.1016/j.tetlet.2009.03.115

Bagley, Mark Christopher, Lin, Zhifan, Phillips, David J. and Graham, Andy 2009. Barium manganate in microwave-assisted oxidation reactions: synthesis of lactones by oxidative cyclization of diols. Tetrahedron Letters 50 (49) , pp. 6823-6825. 10.1016/j.tetlet.2009.09.117

Bagley, Mark Christopher, Lin, Z. F. and Pope, Simon J. A.

2009. Rapid synthesis of 3-cyanopyridine-derived chromophores with two-dimensional tunability and solvatochromic photophysical properties. Chemical Communications (34) , pp. 5165-5167. 10.1039/b910664b

Bagley, Mark Christopher, Lin, Zhifan and Pope, Simon J. A.

2009. Barium manganate in microwave-assisted oxidation reactions: synthesis of solvatochromic 2,4,6-triarylpyrimidines. Tetrahedron Letters 50 (49) , pp. 6818-6822. 10.1016/j.tetlet.2009.09.116

Bahruji, Hasliza, Bowker, Michael

and Davies, Philip Rosser

2009. Photoactivated reaction of water with silicon nanoparticles. International Journal of Hydrogen Energy 34 (20) , pp. 8504-8510. 10.1016/j.ijhydene.2009.08.039

Baldwin, Amy Joy

, Arpino, James Alexander, Edwards, W. R., Tippmann, Eric Michael and Jones, Darran Dafydd

2009. Expanded chemical diversity sampling through whole protein evolution. Molecular Biosystems 5 (7) , pp. 764-766. 10.1039/B904031E

Ballarini, Nicola, Cavani, Fabrizio, Passeri, Sauro, Pesaresi, Lucilla, Lee, Adam Fraser and Wilson, Karen 2009. Phenol methylation over nanoparticulate CoFe2O4 inverse spinel catalysts: the effect of morphology on catalytic performance. Applied Catalysis A: General 366 (1) , pp. 184-192. 10.1016/j.apcata.2009.07.003

Banu, Afroza 2009. Synthetic procedures for the functionalisation of the Re(CO)3+ unit. PhD Thesis, Cardiff University.

Bäuerlein, Patrick S., Fairlamb, Ian J. S., Jarvis, Amanda G., Lee, Adam Fraser, Müller, Christian, Slattery, John M., Thatcher, Robert J., Vogt, Dieter and Whitwood, Adrian C. 2009. Ion-tagged pi-acidic alkene ligands promote Pd-catalysed allyl-aryl couplings in an ionic liquid. Chemical Communications (38) , pp. 5734-5736. 10.1039/b906823f

Bawaked, Salem Mohammed, Dummer, Nicholas

, Dimitratos, Nikolaos

, Bethell, D., He, Qian

, Kiely, Christopher John

2009. Solvent-free selective epoxidation of cyclooctene using supported gold catalysts. Green Chemistry 11 (7) , pp. 1037-1044. 10.1039/b823286p

Beames, Joseph

, Nix, Michael G. D. and Hudson, Andrew J. 2009. Comparison of the resonance-enhanced multiphoton ionization spectra of pyrrole and 2,5-dimethylpyrrole: Building toward an understanding of the electronic structure and photochemistry of porphyrins. Journal of Chemical Physics 131 (17) , 174305. 10.1063/1.3257681

Beckers, Jurriaan, Lee, Adam Fraser and Rothenberg, Gadi 2009. Bismuth-doped ceria, Ce0.90Bi0.10O2: a selective and stable catalyst for clean hydrogen combustion. Advanced Synthesis & Catalysis 351 (10) , pp. 1557-1566. 10.1002/adsc.200900089

Bedford, Robin B., Dumycz, Helena, Haddow, Mairi F., Pilarski, Lukasz T., Orpen, A. Guy, Pringle, Paul G. and Wingad, Richard L. 2009. Chiral triaryl phosphite-based palladacycles and platinacycles: Synthesis and application to asymmetric Lewis acid catalysis. Dalton Transactions (37) , pp. 7796-7804. 10.1039/b907333g

Bennati, Marina and Murphy, Damien Martin

2009. Electron paramagnetic resonance spectra in the solid state. Brustolon, Marina and Giamello, Elio, eds. Electron paramagnetic resonance: a practitioner's toolkit, Hoboken, N.J.: Wiley, pp. 195-249. (10.1002/9780470432235.ch6)

Bezzu, Caterina Grazia 2009. Synthesis and crystal structures of phthalocyanine derivatives containing bulky phenyloxy substituents. PhD Thesis, Cardiff University.

Bindoli, Alberto, Rigobello, Maria Pia, Scutari, Guido, Gabbiani, Chiara, Casini, Angela

and Messori, Luigi 2009. Thioredoxin reductase: a target for gold compounds acting as potential anticancer drugs. Coordination Chemistry Reviews 253 (11-12) , pp. 1692-1707. 10.1016/j.ccr.2009.02.026

Binobaid, Abeer Abdulrahman, Iglesias, Manuel Alonso, Beetstra, Dirk Johannes, Kariuki, Benson

, Dervisi, Athanasia

and Cavell, Kingsley John 2009. Expanded ring and functionalised expanded ring N-heterocyclic carbenes as ligands in catalysis. Dalton Transactions (35) , pp. 7099-7112. 10.1039/b909834h

Bishop, Alexander James, Carley, Albert Frederick, Roussel, P. and Nevitt, P. 2009. The adsorption of ammonia on polycrystalline thorium. Radiochimica Acta 97 (4-5) , pp. 243-246. 10.1524/ract.2009.1604

Blake, Alexander J., Gillibrand, Nicola L., Moxey, Graeme J. and Kays, Deborah L.

2009. Differing coordination environments in transition metal derivatives of 1,8-bis(silylamido)naphthalene ligands. Inorganic Chemistry 48 (22) , pp. 10837-10844. 10.1021/ic901745v

Bonyhady, S. J., Green, S. P., Jones, Cameron, Nembenna, S. and Stasch, Andreas

2009. A Dimeric Magnesium(I) Compound as a Facile Two-Center/Two-Electron Reductant. Angewandte Chemie-International Edition 48 (16) , pp. 2973-2977. 10.1002/anie.200900331

Bowden, Paul, Knight, A. G. and Liovic, M. 2009. A novel mutation (p.Thr198Ser) in the 1A helix of keratin 5 causes the localized variant of Epidermolysis Bullosa Simplex. Experimental Dermatology 18 (7) , pp. 650-652. 10.1111/j.1600-0625.2008.00820.x

Bowker, Michael

2009. A prospective: Surface science and catalysis at the nanoscale. Surface Science 603 (16) , pp. 2359-2362. 10.1016/j.susc.2009.06.017

Bowker, Michael

and Bennett, Roger A. 2009. The role of Ti3+interstitials in TiO2(110) reduction and oxidation. Journal of Physics: Condensed Matter 21 (47) , 474224. 10.1088/0953-8984/21/47/474224

Bowker, Michael

and Al-Mazroai, Layla Saeed 2009. Photocatalytic reforming of glycerol over gold and palladium as an alternative fuel source. Catalysis Letters 128 (3-4) , 253 - 255. 10.1007/s10562-008-9781-1

Bracey, Charlotte, Ellis, P. R. and Hutchings, Graham John

2009. Application of copper-gold alloys in catalysis: current status and future perspectives. Chemical Society Reviews 38 (8) , pp. 2231-2243. 10.1039/b817729p

Brandt, Johan C. and Wirth, Thomas

2009. Controlling hazardous chemicals in microreactors: Synthesis with iodine azide. Beilstein Journal of Organic Chemistry 5 (30) 10.3762/bjoc.5.30

Brandt, Johan Christian and Wirth, Thomas

2009. Homogeneous catalysis using microreactor technology. Benaglia, Maurizio, ed. Recoverable and Recyclable Catalysts, Oxford: Wiley, pp. 411-425. (10.1002/9780470682005.ch14)

Brazier, John Benedict, Cavill, Julie Leanne, Elliott, Richard L., Evans, Gareth James S., Gibbs, Timothy John K., Jones, Ian Leigh, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2009. The α-effect in cyclic secondary amines: new scaffolds for iminium ion accelerated transformations. Tetrahedron 65 (48) , pp. 9961-9966. 10.1016/j.tet.2009.10.009

Brazier, John Benedict, Evans, Gareth James S., Gibbs, Timothy John K., Coles, Simon J., Hursthouse, M. B., Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2009. Solution phase, solid state, and theoretical investigations on the MacMillan imidazolidinone. Organic Letters 11 (1) , pp. 133-136. 10.1021/ol802512y

Brown, Richard C., Li, Zhaoqiang, Rutter, Andrew J., Mu, Xiaojing, Weeks, Owen H., Smith, Keith and Weeks, Ian

2009. Development and application of a novel acridinium ester for use as a chemiluminescent emitter in nucleic acid hybridisation assays using chemiluminescence quenching. Organic and Biomolecular Chemistry 7 (2) , pp. 386-394. 10.1039/b811947c

Browne, Duncan L.

, Taylor, John B., Plant, Andrew and Harrity, Joseph P. A. 2009. Cross coupling of bromo sydnones: development of a flexible route toward functionalized pyrazoles. Journal of Organic Chemistry 74 (1) , pp. 396-400. 10.1021/jo802240e

Browne, Duncan L.

, Vivat, Jérôme F., Plant, Andrew, Gomez-Bengoa, Enrique and Harrity, Joseph P. A. 2009. Investigation of the scope and regiochemistry of alkynylboronate cycloadditions with sydnones. Journal of the American Chemical Society 131 (22) , pp. 7762-7769. 10.1021/ja902460n

Bullock, Sam J., Felton, Cara E., Fennessy, Rebecca V., Harding, Lindsay P., Andrews, Michael Bryan, Pope, Simon J. A.

, Rice, Craig R. and Riis-Johannessen, T. 2009. Coumarin-based luminescent ligand that forms helicates with dicationic metal ions. Dalton Transactions (47) , pp. 10570-10573. 10.1039/b913103e

Butters, Michael, Davies, Christopher D., Elliott, Mark Christopher

, Hill-Cousins, Joseph Thomas, Kariuki, Benson

, Ooi, Liling, Wood, John Lawrence and Wordingham, Stuart Vaughn 2009. Synthesis and stereochemical determination of batzelladine C methyl ester. Organic & Biomolecular Chemistry 7 (23) , pp. 5001-5009. 10.1039/b914744f

Buurma, Niklaas Jan

2009. Kinetic medium effects on organic reactions in aqueous colloidal solutions. Advances in Physical Organic Chemistry 43 , pp. 1-37. 10.1016/S0065-3160(08)00001-4

Carley, Albert Frederick, Davies, Philip Rosser

, Harikumar, Krishnan R. and Jones, Rhys Vaughan 2009. A low energy pathway to CuCl2 at Cu(110) surfaces. Physical Chemistry Chemical Physics 11 (46) , pp. 10899-10907. 10.1039/b914970h

Carpenter, Barry K.

2009. The transition-state theory description of enzyme catalysis for classically activated reactions. Allemann, Rudolf Konrad

and Scrutton, N. S., eds. Quantum tunnelling in enzyme-catalysed reactions, London: RSC Publishing, pp. 1-17. (10.1039/9781847559975-00001)

Carpenter, Barry K.

, Pittner, Jiri and Veis, Libor 2009. Ab Initio Calculations on the Formation and Rearrangement of Spiropentane. Journal of Physical Chemistry A 113 (39) , pp. 10557-10563. 10.1021/jp905368b

Carta, Mariolino.

, Msayib, Kadhum Jawad and McKeown, Neil B. 2009. Novel polymers of intrinsic microporosity (PIMs) derived from 1,1-spiro-bis(1,2,3,4-tetrahydronaphthalene)-based monomers. Tetrahedron Letters 50 (43) , pp. 5954-5957. 10.1016/j.tetlet.2009.08.032

Carter, Emma

and Murphy, Damien

2009. Structure-function relationships and mechanistic pathways in homogeneous catalysis as probed by ENDOR spectroscopy. Yarwood, Jack, Douthwaite, Richard and Duckett, Simon, eds. Spectroscopic properties of inorganic and organometallic chemistry, Vol. 40. Specialist periodical report, Cambridge: Royal Society of Chemistry, pp. 355-384. (10.1039/b715580h)

Casadesus, Meritxell, Coogan, Michael Peter, Davies, E. and Ooi, Liling 2009. Erratum to: Stereochemical studies of cobalt ethylenediamine complexes and their tetrathionate salts: Interactions between complex configuration and tetrathionate conformation [Inorg. Chim. Acta 361 (2008) 63-78] (DOI:10.1016/j.ica.2007.06.033). Inorganica Chimica Acta 362 (6) , p. 2098. 10.1016/j.ica.2008.09.041

Casini, Angela

, Gabbiani, Chiara, Michelucci, Elena, Pieraccini, Giuseppe, Moneti, Gloriano, Dyson, Paul J. and Messori, Luigi 2009. Exploring metallodrug-protein interactions by mass spectrometry: comparisons between platinum coordination complexes and an organometallic ruthenium compound. Journal of Biological Inorganic Chemistry 14 (5) , pp. 761-770. 10.1007/s00775-009-0489-5

Casini, Angela

, Karotki, Andrei, Gabbiani, Chiara, Rugi, Francesco, Vasak, Milan, Messori, Luigi and Dyson, Paul J. 2009. Reactivity of an antimetastatic organometallicruthenium compound with metallothionein-2: relevance to the mechanism of action. Metallomics 1 (5) , pp. 434-441. 10.1039/B909185H

Casini, Angela

, Kelter, Gerhard, Gabbiani, Chiara, Cinellu, Maria Agostina, Minghetti, Giovanni, Fregona, Dolores, Fiebig, Heinz-Herbert and Messori, Luigi 2009. Chemistry, antiproliferative properties, tumor selectivity, and molecular mechanisms of novel gold(III) compounds for cancer treatment: a systematic study. Journal of Biological Inorganic Chemistry 14 (7) , pp. 1139-1149. 10.1007/s00775-009-0558-9

Choi, Joong-Kwon, Shahzad, Sohail Anjum

and Wirth, Thomas

2009. Dimethylaluminium methylselenolate. Paquette, Leo A., ed. Encyclopedia of reagents for organic synthesis (e-EROS), Chichester: Wiley, (10.1002/047084289X.rd300.pub2)

Conte, Marco, Carley, Albert Frederick, Attard, Gary Anthony, Herzing, Andrew A., Kiely, Christopher John

2009. Corrigendum to 'Hydrochlorination of acetylene using supported bimetallic Au-based catalysts' [J. Catal. 257 (2008) 190-198]. Journal of Catalysis 266 (1) , p. 164. 10.1016/j.jcat.2009.06.002

Conte, Marco, Wilson, Karen and Chechik, Victor 2009. Radical intermediates in chloroform reactions over triphenylphosphine-protected Au nanoparticles. Organic and Biomolecular Chemistry 7 (7) , pp. 1361-1367. 10.1039/b819627c

Coogan, Michael Peter, Fernandez-Moreira, V., Hess, J. B., Pope, Simon J. A.

and Williams, C. 2009. Rhenium fac-tricarbonyl bisimine complexes: luminescence modulation by hydrophobically driven intramolecular interactions. New Journal of Chemistry 33 (5) , pp. 1094-1099. 10.1039/b819453j

Coogan, Michael Peter, Fernandez-Moreira, Vanesa, Kariuki, Benson

and Thorp-Greenwood, Flora Lottie 2009. A rhenium tricarbonyl 4'-oxo-terpy trimer as a luminescent molecular vessel with a removable silver stopper. Angewandte Chemie - International Edition 48 (27) , pp. 4965-4968. 10.1002/anie.200900981

Cooper, Daniel Steven 2009. Towards models for the oxygen evolving centre of photosystem II and analysis of Lewis acidic metals within novel salen derivatives. PhD Thesis, Cardiff University.

Cote, M., Nicholls, T., Knight, David William, Morgan, Ian Rhys

, Rogueda, P. G. A., King, S. M., Heenan, R. K. and Griffiths, Peter Charles. 2009. Self-Assembling Chiral Gelators for Fluorinated Media. Langmuir 25 (15) , pp. 8678-8684. 10.1021/la804277z

Crosby, S.H., Clarkson, G.J. and Rourke, J.P.

2009. A Delicate Balance between sp(2) and sp(3) C-H Bond Activation: A Pt(II) Complex with a Dual Agostic Interaction. Journal of the American Chemical Society 131 (40) , 14142-+. 10.1021/ja905046n

Cubo, Leticia, Casini, Angela

, Gabbiani, Chiara, Mastrobuoni, Guido, Messori, Luigi, Jimenez-Barbero, Jesus, Navarro-Ranninger, Carmen and Quiroga, Adoracion G. 2009. Solution behaviour and biomolecular interactions of two cytotoxic trans-platinum(II) complexes bearing aliphatic amine ligands. Chemistry - A European Journal 15 (36) , pp. 9139-9146. 10.1002/chem.200901090

Cushion, Michael, Ebrahimpour, Parisa, Haddow, Mairi F., Hallett, Andrew Jon, Mansell, Stephen M., Orpen, A. Guy and Wass, Duncan F. 2009. Copper(I) complexes of cis,cis-1,3,5-tris(mesitylideneamino)cyclohexane ligands: synthesis, structure and substrate selectivity. Dalton Transactions (9) , pp. 1632-1635. 10.1039/B818827K

Dacquin, Jean-Philippe

, Dhainaut, Jérémy, Duprez, Daniel, Royer, Sébastien, Lee, Adam Fraser and Wilson, Karen 2009. An efficient route to highly organized, tunable macroporous-mesoporous alumina. Journal of the American Chemical Society 131 (36) , pp. 12896-12897. 10.1021/ja9056486

Daramola, M.O., Burger, A.J., Pera-Titus, M., Giroir-Fendler, A., Miachon, S., Lorenzen, L. and Dalmon, J.-A. 2009. Nanocomposite MFI–ceramic hollow fibre membranes via pore-plugging synthesis: prospects for xylene isomer separation. Journal of Membrane Science 337 (1-2) , pp. 106-112. 10.1016/j.memsci.2009.03.028

Davies, Aled Mathew 2009. Selective oxidation and oxidative dehydrogenation reactions using niobium based catalysts. PhD Thesis, Cardiff University.

Davies, Huw John 2009. The synthesis and use of heterocycles in organocatalysis. PhD Thesis, Cardiff University.

Davies, Philip Rosser

, Edwards, Dyfan and Richards, Darran 2009. Possible role for Cu(II) compounds in the oxidation of malonyl dichloride and HCl at Cu(110) surfaces. Journal of Physical Chemistry. C 113 (24) , pp. 10333-10336. 10.1021/jp903042f

Davies, Philip Rosser

and Roberts, Meirion Wyn 2009. A view of surface science since 1960: Oxygen states at metal surfaces. Catalysis Today 145 (1-2) , pp. 2-9. 10.1016/j.cattod.2008.06.001

De, Susmita, Pierce, Glesni A., Vidovic, Dragoslav, Kays, Deborah L.

, Coombs, Natalie D., Jemmis, Eluvathingal D. and Aldridge, Simon 2009. Reactivity of cationic terminal borylene complexes: novel mechanisms for insertion and metathesis chemistry involving strongly Lewis acidic ligand systems. Organometallics 28 (10) , pp. 2961-2975. 10.1021/om801214f

Dervisi, Athanasia

2009. Nickel, palladium and platinum. Annual Reports on the Progress of Chemistry - Section A 105 , pp. 248-260. 10.1039/b818264g

Dimitratos, Nikolaos.

, Lopez-Sanchez, Jose Antonio and Hutchings, Graham John

2009. Green Catalysis with Alternative Feedstocks. Topics in Catalysis 52 (3) , pp. 258-268. 10.1007/s11244-008-9162-4

Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Anthonykutty, Jinto Manjaly, Brett, Gemma Louise, Carley, Albert Frederick, Tiruvalam, R. C., Herzing, A. A., Kiely, Christopher John

, Knight, David William and Hutchings, Graham John

2009. Oxidation of glycerol using gold-palladium alloy-supported nanocrystals. Physical Chemistry Chemical Physics 11 (25) , pp. 4952-4961. 10.1039/b904317a

Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Meenakshisundaram, Sankar

, Anthonykutty, Jinto Manjaly, Brett, Gemma Louise, Carley, Albert Frederick, Taylor, Stuart H.

, Knight, David William and Hutchings, Graham John

2009. Selective formation of lactate by oxidation of 1,2-propanediol using gold palladium alloy supported nanocrystals. Green Chemistry 11 (8) , pp. 1209-1216. 10.1039/b823285g

Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Morgan, David John

, Carley, Albert Frederick, Tiruvalam, Ramchamdra, Kiely, Christopher John

, Bethell, D. and Hutchings, Graham John

2009. Solvent-free oxidation of benzyl alcohol using Au-Pd catalysts prepared by sol immobilisation. Physical Chemistry Chemical Physics 11 (25) , pp. 5142-5153. 10.1039/b900151b

Dimitratos, Nikolaos

, Villa, Alberto and Prati, Laura 2009. Liquid phase oxidation of glycerol using a single phase (Au-Pd) alloy supported on activated carbon: effect of reaction conditions. Catalysis Letters 133 (3-4) , pp. 334-340. 10.1007/s10562-009-0192-8

Dinda, S., Hazra, D. K., RoyChowdhury, S., Helliwell, M., Abdul Malik, Khalifa Mohammad, Mukherjee, M. and Bhattacharyya, R. 2009. Reductive thiocyanolysis of tetraoxorhenate (VII): Synthesis, crystal structure, catalytic oxidation and kinetic studies of (PPh4)2[Re(NCS)6] and (PPh4)2[ReO(NCS)5]. Inorganica Chimica Acta 362 (7) , pp. 2108-2116. 10.1016/j.ica.2008.09.029

Droge, Stefan, Al Khalifah, Manea S., O'Neill, Mary, Thomas, Huw Ellis, Simmonds, Henje Samuel, Macdonald, John Emyr

, Aldred, Matthew P., Vlachos, Panos, Kitney, Stuart P., Lobbert, Andreas and Kelly, Stephen M. 2009. Grazing Incidence X-ray Diffraction of a Photoaligned Nematic Semiconductor. Journal of Physical Chemistry B 113 (1) , pp. 49-53. 10.1021/jp803379a

Dunnill, C. W. H., Aiken, Z. A., Pratten, J., Wilson, M., Morgan, David John

and Parkin, I. P. 2009. Enhanced photocatalytic activity under visible light in N-doped TiO2 thin films produced by APCVD preparations using t-butylamine as a nitrogen source and their potential for antibacterial films. Journal of Photochemistry and Photobiology A: Chemistry 207 (2-3) , pp. 244-253. 10.1016/j.jphotochem.2009.07.024

Dunnill, Charles W., Aiken, Zoie A., Kafizas, Andreas, Pratten, Jonathan, Wilson, Michael, Morgan, David John

and Parkin, Ivan P. 2009. White light induced photocatalytic activity of sulfur-doped TiO2 thin films and their potential for antibacterial application. Journal of Materials Chemistry 19 (46) , pp. 8747-8754. 10.1039/b913793a

Easun, Timothy

, Alsindi, Wassim Z., Deppermann, Nina, Towrie, Michael, Ronayne, Kate L., Sun, Xue-Zhong, Ward, Michael D. and George, Michael W. 2009. Luminescence and time-resolved infrared study of dyads containing (Diimine)Ru(4,4 '-diethylamido-2,2 '-bipyridine)(2) and (Diimine)Ru(CN)(4) moieties: solvent-induced reversal of the direction of photoinduced energy-transfer. Inorganic Chemistry 48 (18) , pp. 8759-8770. 10.1021/ic900924w

Echeverria, Jorge, Cremades, Eduard, Amoroso, Angelo James

and Alvarez, Santiago 2009. Jahn-Teller distortions of six-coordinate CuII compounds: cis or trans? Chemical Communications 2009 (28) , pp. 4242-4244. 10.1039/b903867a

Edwards, Jennifer Kelly

, Ntainjua Ndifor, Edwin, Carley, Albert Frederick, Herzing, Andrew A., Kiely, Christopher John

2009. Direct synthesis of H2O2 from H2 and O2 over gold, palladium, and gold–palladium catalysts supported on acid-pretreated TiO2. Angewandte Chemie 48 (45) , pp. 8512-8515. 10.1002/anie.200904115

Edwards, Jennifer Kelly

, Solsona, Benjamin, Ntainjua Ndifor, Edwin, Carley, Albert Frederick, Herzing, Andrew A., Kiely, Christopher John

2009. Switching off hydrogen peroxide hydrogenation in the direct synthesis process. Science 323 (5917) , pp. 1037-1041. 10.1126/science.1168980

Edwards, Peter Gerald

, Hahn, F. E., Limon, M., Newman, Paul David

and Stasch, Andreas

2009. Manganese complexes of phosphino-mu-phosphido ligands. Dalton Transactions (26) , pp. 5115-5119. 10.1039/b822870a

Eisenreich, W., Fischer, M., Romisch-Margl, W., Joshi, M., Richter, Gerald, Bacher, A. and Weber, S. 2009. Tryptophan 13C nuclear-spin polarization generated by intraprotein electron transfer in a LOV2 domain of the blue-light receptor phototropin. Biochemical Society Transactions 37 (2) , pp. 382-386. 10.1042/BST0370382

El-Hiti, Gamal, Smith, Keith, Hegazy, Amany Saber, Shalabi, Ahmed Fekri and Kariuki, Benson

2009. Variation in sites of lithiation of substituted N-benzylpivalamides and N'-benzyl-N,N-dimethylureas: application in synthesis. Arkivoc Online Journal of Organic Chemistry , pp. 266-300.

Elliott, Mark Christopher

and Paine, James S. 2009. Studies towards the total synthesis of lycoposerramine A. Synthesis of a model for the tetracyclic core. Organic & Biomolecular Chemistry 7 (17) , pp. 3455-3462. 10.1039/b909860g

Fallis, Ian Andrew

, Griffiths, Peter Charles, Cosgrove, Terence, Dreiss, Cecile A., Govan, Norman, Heenan, Richard K., Holden, Ian, Jenkins, Robert Leyshon, Mitchell, Stephen J., Notman, Stuart, Platts, James Alexis

, Riches, James and Tatchell, Thomas 2009. Locus-specific microemulsion catalysts for sulfur mustard (HD) chemical warfare agent decontamination. Journal of the American Chemical Society 131 (28) , pp. 9746-9755. 10.1021/ja901872y

Fan, Xiaolei, Manchon, Maria G., Wilson, Karen, Tennison, Steve, Kozynchenko, Alexander, Lapkin, Alexei A. and Plucinski, Pawel K. 2009. Coupling of Heck and hydrogenation reactions in a continuous compact reactor. Journal of Catalysis 267 (2) , pp. 114-120. 10.1016/j.jcat.2009.07.019

Farooq, Umar, Shah, Azhar and Wirth, Thomas

2009. Hypervalent Bromine Compounds: Smaller, More Reactive Analogues of Hypervalent Iodine Compounds. Angewandte Chemie - International Edition 48 (6) , pp. 1018-1020. 10.1002/anie.200805027

Ferguson, Jonathan 2009. Mixed metal oxide catalysts prepared using supercritical carbon dioxide. PhD Thesis, Cardiff University.

Ferguson, Elaine Lesley

and Duncan, Ruth 2009. Dextrin-phospholipase A2: Synthesis and evaluation as a bioresponsive anticancer conjugate. Biomacromolecules 10 (6) , pp. 1358-1364. 10.1021/bm8013022

Folli, A.

, Jakobsen, U. H., Guerrini, G. L. and Macphee, D. E. 2009. Rhodamine B discolouration on TiO2 in the cement environment: A look at fundamental aspects of the self-cleaning effect in concretes. Journal of Advanced Oxidation Technologies 12 (1) , pp. 126-133. 10.1515/jaots-2009-0116

Foster, Robert S., Huang, Jianhui, Vivat, Jérôme F., Browne, Duncan L.

and Harrity, Joseph P. A. 2009. A divergent strategy to the withasomnines. Organic & Biomolecular Chemistry 7 (19) , pp. 4052-4056. 10.1039/b910632d

Freudendahl, Diana Maria, Santoro, Stefano, Shahzad, Sohail Anjum

, Santi, Claudio and Wirth, Thomas

2009. Green Chemistry with Selenium Reagents: Development of Efficient Catalytic Reactions. Angewandte Chemie - International Edition 48 (45) , pp. 8409-8411. 10.1002/anie.200903893

Freudendahl, Diana Maria, Shahzad, Sohail Anjum

and Wirth, Thomas

2009. Recent Advances in Organoselenium Chemistry. European Journal of Organic Chemistry (11) , pp. 1649-1664. 10.1002/ejoc.200801171

Fujii, K., Ashida, Y., Uekusa, H., Hirano, S., Toyota, S., Toda, F., Pan, Z. and Harris, Kenneth David Maclean

2009. Vapour Induced Crystalline Transformation Investigated by ab initio Powder X-ray Diffraction Analysis. Crystal Growth & Design 9 (2) , pp. 1201-1207. 10.1021/cg801142p

Gabbiani, Chiara, Messori, Luigi, Cinellu, Maria A., Casini, Angela

, Mura, Pasquale, Sannella, Anna R., Severini, Carlo, Majori, Giancarlo, Bilia, Anna R. and Vincieri, Franco F. 2009. Outstanding plasmodicidal properties within a small panel of metallic compounds: hints for the development of new metal-based antimalarials. Journal of Inorganic Biochemistry 103 (2) , pp. 310-312. 10.1016/j.jinorgbio.2008.10.004

Gaber, H. M. and Bagley, Mark Christopher 2009. Unlocking the Chemotherapeutic Potential of beta-Aminovinyl Ketones and Related Compounds. Chemmedchem 4 (7) , pp. 1043-1050. 10.1002/cmdc.200900006

Gai, Pratibha L., Montero, Janine M., Lee, Adam Fraser, Wilson, Karen and Boyes, Edward D. 2009. In situ aberration corrected-transmission electron microscopy of magnesium oxide nanocatalysts for biodiesels. Catalysis Letters 132 (1-2) , pp. 182-188. 10.1007/s10562-009-0085-x

Garry, Ambroise, Edwards, David Hughes, Fallis, Ian Andrew

, Jenkins, Robert Leyshon and Griffith, Tudor Morley 2009. Ascorbic acid and tetrahydrobiopterin potentiate the EDHF phenomenon by generating hydrogen peroxide. Cardiovascular Research 84 (2) , pp. 218-226. 10.1093/cvr/cvp235

Gennadios, Heather A., Gonzalez, Veronica, Di Costanzo, Luigi, Li, Amang, Yu, Fanglei, Miller, David James, Allemann, Rudolf Konrad

and Christianson, David W. 2009. Crystal structure of (+)-δ-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis. Biochemistry 48 (26) , pp. 6175-6183. 10.1021/bi900483b

Ghanem, Bader S., McKeown, Neil B., Budd, Peter M., Al-Harbi, Nasser M., Fritsch, Detlev, Heinrich, Kathleen, Starannikova, Ludmila, Tokarev, Andrei and Yampolskii, Yuri 2009. Synthesis, characterization, and gas permeation properties of a novel group of polymers with intrinsic microporosity: PIM-polyimides. Macromolecules 42 (20) , pp. 7881-7888. 10.1021/ma901430q

Gkionis, Konstantinos, Hill, John Grant., Oldfield, Steven Peter and Platts, James Alexis.

2009. Performance of Becke's half-and-half functional for non-covalent interactions: energetics, geometries and electron densities. Journal of Molecular Modeling 15 (9) , pp. 1051-1060. 10.1007/s00894-009-0459-4

Gkionis, Konstantinos and Platts, James Alexis

2009. QM/MM investigation into binding of square-planar platinum complexes to DNA fragments. Journal of Biological Inorganic Chemistry 14 (8) , pp. 1165-1174. 10.1007/s00775-009-0560-2

Glavic, P., Lukman, R. and Lozano, Rodrigo 2009. Engineering education: Environmental and chemical engineering or technology curricula - A European perspective. European Journal of Engineering Education 34 (1) , pp. 47-61. 10.1080/03043790802710193

Golunski, Stanislaw E.

and York, A. P. E. 2009. The Taylor Conference 2009: Convergence between resesarch and innovation in catalysis. Platinum Metals Review 53 (4) , pp. 221-225. 10.1595/147106709X474307

Grainger, Richard S., Patel, Bhaven and Kariuki, Benson

2009. 2,7-Di-tert-butylnaphtho[1,8-cd][1,2]dithiole 1,2-dioxides: thermally stable, photochemically active vic-disulfoxides. Angewandte Chemie 48 (26) , pp. 4832-4835. 10.1002/anie.200901788

Green, Jason, Carter, Emma

2009. An EPR investigation of acetonitrile reactivity with superoxide radicals on polycrystalline TiO2. Research on Chemical Intermediates 35 (2) , pp. 145-154. 10.1007/s11164-008-0022-4

Green, Jason, Carter, Emma

2009. Interaction of molecular oxygen with oxygen vacancies on reduced TiO2: Site specific blocking by probe molecules. Chemical Physics Letters 477 (4-6) , pp. 340-344. 10.1016/j.cplett.2009.07.002

Green, Michael, McMullin, Claire L., Morton, George J. P., Orpen, A. Guy, Wass, Duncan F.

and Wingad, Richard L. 2009. Rhodium complexes of cyclopropenylidene carbene ligands: Synthesis, structure, and hydroformylation catalysis. Organometallics 28 (5) , pp. 1476-1479. 10.1021/om801031a

Griffiths, Peter Charles 2009. Electrophoretic NMR-ions, molecules, mixtures, pores and complexes. Webb, Graham A., ed. Annual Reports on NMR Spectroscopy, Vol. 65. San Diego: Elsevier Academic Press, pp. 139-159. (10.1016/S0066-4103(08)00205-6)

Grossi, Cristina, Francese, Simona, Casini, Angela

, Rosi, Maria Cristina, Luccarini, Ilaria, Fiorentini, Anna, Gabbiani, Chiara, Messori, Luigi, Moneti, Gloriano and Casamenti, Fiorella 2009. Clioquinol decreases amyloid-β burden and reduces working memory impairment in a transgenic mouse model of alzheimer's disease. Journal of Alzheimer's Disease 17 (2) , pp. 423-440. 10.3233/JAD-2009-1063

Hallett, Andrew Jon, Anderson, Kirsty M., Connelly, Neil G. and Haddow, Mairi F. 2009. Bonding modes, structures and fluxionality in rhodium and iridium tris(3,5-dimethylpyrazolyl)methane diene complexes. Dalton Transactions (21) , pp. 4181-4189. 10.1039/b900817a

Hallett, Andrew Jon, Kwant, Gerard J. and de Vries, Johannes G. 2009. Continuous Separation of Racemic 3,5-Dinitrobenzoyl-Amino Acids in a Centrifugal Contact Separator with the Aid of Cinchona-Based Chiral Host Compounds. Chemistry - A European Journal 15 (9) , pp. 2111-2120. 10.1002/chem.200800797

Hallett, Andrew Jon, Christian, Paul, Jones, Jennifer Elizabeth and Pope, Simon J. A.

2009. Luminescent, water-soluble gold nanoparticles functionalised with 3MLCT emitting rhenium complexes. Chemical Communications (28) , pp. 4278-4280. 10.1039/b905692k

Harris, Kenneth David Maclean

2009. Fundamentals and applications of genetic algorithms for structure solution from powder X-ray diffraction data. Computational Materials Science 45 (1) , pp. 16-20. 10.1016/j.commatsci.2008.04.032

Harris, Kenneth David Maclean

2009. Structure Solution from Powder X-Ray Diffraction Data by Genetic Algorithm Techniques, Applied to Organic Materials Generated as Polycrystalline Products from Solid State Processes. Materials and Manufacturing Processes 24 (3) , pp. 293-302. 10.1080/10426910802679279

Harris, Kenneth David Maclean

and Thomas, John Meurig 2009. Selected thoughts on chiral crystals, chiral surfaces, and asymmetric heterogeneous catalysis. Chemcatchem 1 (2) , pp. 223-231. 10.1002/cctc.200900181

Harris, Kenneth David Maclean

and Xu, Mingcan 2009. Combined analysis of NMR and powder diffraction data. Harris, Robin K., Wasylishen, Roderick E. and Duer, Melinda J., eds. NMR Crystallography, EMR Books, Oxford: Wiley-Blackwell, pp. 275-287.

Harris, Kenneth David Maclean

and Xu, Mingcan 2009. Crystal structure determination by the combined analysis of NMR and powder diffraction data. Harris, Robin K. and Wasylishen, Roderick E., eds. Encyclopedia of magnetic resonance, Chichester: John Wiley & Sons, (10.1002/9780470034590.emrstm1004)

Harris, Kenneth David Maclean

, Xu, Mingcan and Thomas, John Meurig 2009. Probing the evolution of water clusters during hydration of the solid acid catalyst H-ZSM-5. Philosophical Magazine 89 (33) , pp. 3001-3012. 10.1080/14786430903164606

Hay, Sam, Evans, Rhiannon Mari, Levy, Colin, Loveridge, Edric Joel, Wang, Xi, Leys, David, Allemann, Rudolf Konrad

and Scrutton, Nigel S. 2009. Are the Catalytic Properties of Enzymes from Piezophilic Organisms Pressure Adapted? ChemBioChem 10 (14) , pp. 2348-2353. 10.1002/cbic.200900367

Haynes, Delia A., Melen, Rebecca L.

and Rawson, Jeremy M. 2009. Oxygen, sulfur, selenium, tellurium and polonium. Annual Reports on the Progress of Chemistry - Section A 105 , pp. 155-164. 10.1039/b818151a

Hazzazi, Omar A., Attard, Gary Anthony, Wells, Peter Bernard, Vidal-Iglesias, F. J. and Casadesus, Meritxell 2009. Electrochemical characterisation of gold on Pt{h k l} for ethanol electrocatalysis. Journal of Electroanalytical Chemistry 625 (2) , pp. 123-130. 10.1016/j.jelechem.2008.10.016

Hegazy, Amany Saber 2009. Directed lithiation of substituted benzylamines. PhD Thesis, Cardiff University.

Hill, John Grant and Platts, James Alexis

2009. Auxiliary basis sets for density-fitted MP2 calculations: correlation-consistent basis sets for the 4d elements. Journal of Chemical Theory and Computation 5 (3) , pp. 500-505. 10.1021/ct8005584

Hill, John Grant and Platts, James Alexis

2009. Local electron correlation descriptions of the intermolecular stacking interactions between aromatic intercalators and nucleic acids. Chemical Physics Letters 479 (4-6) , pp. 279-283. 10.1016/j.cplett.2009.08.021

Hu, Huayou, Faraldos, Juan A. and Coates, Robert M. 2009. Scope and mechanism of intramolecular aziridination of cyclopent-3-enyl-methylamines to 1-azatricyclo[2.2.1.02,6]heptanes with lead tetraacetate. Journal of the American Chemical Society 131 (33) , pp. 11998-12006. 10.1021/ja9044136

Hughes, Colan Evan and Harris, Kenneth David MacLean

2009. The effect of deuteration on polymorphic outcome in the crystallization of glycine from aqueous solution. New Journal of Chemistry 33 (4) , pp. 713-716. 10.1039/B819199A

Huguet, Edouard 2009. Terminal oxidation of long linear alkanes in liquid phase. PhD Thesis, Cardiff University.

Hurst, Eleanor C., Wilson, Karen, Fairlamb, Ian J. S. and Chechik, Victor 2009. N-Heterocyclic carbene coated metal nanoparticles. New Journal of Chemistry 33 (9) , pp. 1837-1840. 10.1039/b905559b

Hutchings, Graham John

2009. Catalyst Synthesis Using Supercritical Carbon Dioxide: A Green Route to High Activity Materials. Topics in Catalysis 52 (8) , pp. 982-987. 10.1007/s11244-009-9248-7

Hutchings, Graham John

2009. Heterogeneous catalysts-discovery and design. Journal of Materials Chemistry 19 (9) , pp. 1222-1235. 10.1039/b812300b

Hutchings, Graham John

2009. A golden future. Nature Chemistry 1 (7) , p. 584. 10.1038/nchem.388

Hutchings, Graham John

2009. Nanocrystalline gold catalysts: A reflection on catalyst discovery and the nature of active sites. Gold Bulletin 42 (4) , pp. 260-266. 10.1007/BF03214947

Iglesias, Manuel Alonso, Beetstra, Dirk Johannes, Kariuki, Benson

, Cavell, Kingsley John, Dervisi, Athanasia

2009. Synthesis and structural features of rhodium complexes of expanded ring N-heterocyclic carbenes. European Journal of Inorganic Chemistry 2009 (13) , pp. 1913-1919. 10.1002/ejic.200801179

Iqbal, Sarwat 2009. Investigation of Fischer-Tropsch reaction for synthesis of hydrocarbons and alcohols. PhD Thesis, Cardiff University.

Izsák, Róbert, Szőri, Milán, Knowles, Peter James

and Viskolcz, Béla 2009. High accuracy ab initio calculations on reactions of OH with 1-alkenes. The case of propene. Journal of Chemical Theory and Computation 5 (9) , pp. 2313-2321. 10.1021/ct900133v

Jahnke, M. C., Hussain, M., Hupka, F., Pape, T., Ali, S., Hahn, F. E. and Cavell, Kingsley John 2009. Synthesis of pyrazine-bridged diimidazolium salts and their application in palladium catalyzed Heck-type coupling reactions. Tetrahedron 65 (4) , pp. 909-913. 10.1016/j.tet.2008.11.008

Jeffs, Laura Ellen 2009. Heterogeneous asymmetric aziridination of styrene using Cu2+ exchanged zeolite Y. PhD Thesis, Cardiff University.

Jin, Guojie, Jones, C., Junk, P. C., Lippert, K. A., Rose, R. P. and Stasch, Andreas

2009. Synthesis and characterisation of bulky guanidines and phosphaguanidines: precursors for low oxidation state metallacycles. New Journal of Chemistry 33 (1) , pp. 64-75. 10.1039/b809120j

Jo, J., Aichele, U., Kersting, N., Klein, R., Aichele, P., Bisse, E., Sewell, Andrew K.

, Blum, H. E., Bartenschlager, R., Lohmann, V. and Thimme, R. 2009. Analysis of CD8+ T-Cell-Mediated Inhibition of Hepatitis C Virus Replication Using a Novel Immunological Model. Gastroenterology 136 (4) , pp. 1391-1401. 10.1053/j.gastro.2008.12.034

Jones, Leonie C., Lackowski, William M., Vasilyeva, Yulia, Wilson, Karen and Chechik, Victor 2009. Self-assembly of cross-linked β-cyclodextrin nanocapsules. Chemical Communications (11) , pp. 1377-1379. 10.1039/b820486a

Jones, Cameron, Cole, K. J., Taylor, Stuart H.

, Crudace, M. J. and Hutchings, Graham John

2009. Copper manganese oxide catalysts for ambient temperature carbon monoxide oxidation: Effect of calcination on activity. Journal of Molecular Catalysis A: Chemical 305 (1-2) , pp. 121-124. 10.1016/j.molcata.2008.10.027

Jones, Jennifer Elizabeth and Pope, Simon J. A.

2009. Sensitised near-IR lanthanide luminescence exploiting anthraquinone-derived chromophores: syntheses and spectroscopic properties. Dalton Transactions (39) , pp. 8421-8425. 10.1039/b913902h

Kariuki, Benson

, Bonnet, L. G. and Warren, J. E. 2009. High Temperature Ionic Liquids: Thermal Properties and Dimorphism in [1-(Methoxycarbonyl) Ethyl] Triphenylphosphonium p-Toluenesulfonate. Journal of Chemical Crystallography 39 (10) , pp. 693-697. 10.1007/s10870-009-9549-5

Kasry, Amal, Borri, Paola

, Harwood, Adrian John

, Thomas, Nick, Lofas, Stefan and Dale, Trevor Clive

2009. Comparison of methods for generating planar DNA-modified surfaces for hybridization studies. ACS Applied Materials & Interfaces 1 (8) , pp. 1793-1798. 10.1021/am9003073

Kaufhold, Oliver, Stasch, Andreas

, Pape, Tania, Hepp, Alexander, Edwards, Peter Gerald

and Hahn, F. Ekkehardt 2009. Metal template controlled formation of [11]ane-P2CNHC macrocycles. Journal of the American Chemical Society 131 (1) , pp. 306-317. 10.1021/ja807333f

Kays, Deborah L.

and Aldridge, Simon 2009. Bridging the gap between coordination and cluster compounds: unusual bonding modes for zinc. Angewandte Chemie International Edition 48 (23) , pp. 4109-4111. 10.1002/anie.200900491

Khan, Zulfiqar Ali and Wirth, Thomas

2009. Synthesis of Indene Derivatives via Electrophilic Cyclization. Organic Letters 11 (1) , pp. 229-231. 10.1021/ol8024956

Kneissl, Sabine 2009. Photocontrol of protein-protein and protein-nucleic acid interactions. PhD Thesis, Cardiff University.

Knight, James Christopher 2009. Co-ordination chemistry of a series of bi- and tripodal ligands. PhD Thesis, Cardiff University.

Knight, David W. and Morgan, Ian R.

2009. An optimised and recoverable tartrate surrogate for sharpless asymmetric epoxidations. Tetrahedron Letters 50 (1) , pp. 35-38. 10.1016/j.tetlet.2008.10.069

Knight, David William and Morgan, Ian Rhys

2009. A new organogelator effective at both extremes of solvent polarity. Tetrahedron Letters 50 (47) , pp. 6610-6612. 10.1016/j.tetlet.2009.09.070

Knight, David William and Qing, X. 2009. A synthesis of alpha-tocopherol featuring benzyne trapping by an alcohol. Tetrahedron Letters 50 (26) , pp. 3534-3537. 10.1016/j.tetlet.2009.03.022

Knight, James Christopher, Saad, Fawaz, Amoroso, Angelo James

, van den Bree, Marianne Bernadette

and Coles, S. J. 2009. rac-N-{6-[Bromo(hydroxy)methyl]-2-pyridyl}pivalamide. Acta Crystallographica Section E - Structure Reports Online 65 (3) , O647. 10.1107/S1600536809006795

Knowles, Deborah Ann 2009. Asymmetric α-oxygenation of carbonyl compounds. PhD Thesis, Cardiff University.

Knowles, Peter James

and Cooper, Bridgette 2009. Pair correlation functionals as approximations to variational coupled cluster. Abstracts of Papers of the American Chemical Society 238

Landon, James Hugh Pearson 2009. Computational EPR, ENDOR and DFT studies of catalytic transition metal systems. PhD Thesis, Cardiff University.

Langley, Kate

, Fowler, T. A., Grady, D. L., Moyzis, R. K., Holmans, Peter Alan

, Owen, Michael John

, O'Donovan, Michael Conlon

and Thapar, Anita

2009. Molecular genetic contribution to the developmental course of attention-deficit hyperactivity disorder. European Child & Adolescent Psychiatry 18 (1) , pp. 26-32. 10.1007/s00787-008-0698-4

Lee, Adam Fraser and Wilson, Karen 2009. Sol-gel sulfonic acid silicas as catalysts. Anastas, Paul T, and Crabtree, Robert H., eds. Handbook of Green Chemistry - Green Catalysis: Volume 2 - Heterogeneous Catalysis, Weinheim: Wiley-VCH, pp. 37-57. (10.1002/9783527628698.hgc014)

Lee, Adam Fraser, Hackett, S., Hutchings, Graham John

, Lizzit, S., Naughton, J. and Wilson, Karen 2009. In situ X-ray studies of crotyl alcohol selective oxidation over Au/Pd(111) surface alloys. Catalysis Today 145 (3-4) , pp. 251-257. 10.1016/j.cattod.2008.10.034

Less, Robert J., Melen, Rebecca L.

, Naseri, Vesal and Wright, Dominic S. 2009. Recent perspectives on main group-mediated dehydrocoupling of P–P bonds. Chemical Communications (33) , pp. 4929-4937. 10.1039/b907823a

Li, Z. W., Jing, S., Morley, Christopher Peter and Gu, C. Y. 2009. Complexation and electrochemical study of 1,5-diselena[5]ferrocenophane: X-ray crystal structures of 1,5-diselena[5]ferrocenophane, and silver, mercury complexes. Inorganic Chemistry Communications 12 (5) , pp. 440-443. 10.1016/j.inoche.2009.03.008

Limon, Matthieu 2009. Synthesis and coordination chemistry of functionalised and macrocyclic phosphines and arsines. PhD Thesis, Cardiff University.

Llorens, Joan and Pera-Titus, Marc 2009. Influence of surface heterogeneity on hydrogen adsorption on activated carbons. Colloids and Surfaces A: Physicochemical and Engineering Aspects 350 (1-3) , pp. 63-72. 10.1016/j.colsurfa.2009.08.035

Logsdail, Andrew

, Paz-Borbón, Lauro Oliver and Johnston, Roy L. 2009. Structures and Stabilities of Platinum-Gold Nanoclusters. Journal of Computational and Theoretical Nanoscience 6 (4) , pp. 857-866. 10.1166/jctn.2009.1118

Loveridge, Edric Joel and Allemann, Rudolf Konrad

2009. Direct methods for the analysis of quantum-mechanical tunnelling: dihydrofolate reductase. Allemann, Rudolf Konrad and Scrutton, N. S., eds. Quantum Tunnelling in Enzyme-Catalysed Reactions, London: RSC Publishing, pp. 179-198. (10.1039/9781847559975-00179)

Loveridge, Edric Joel, Behiry, Enas Mamdouh, Swanwick, Richard S. and Allemann, Rudolf Konrad

2009. Different reaction mechanisms for mesophilic and thermophilic dihydrofolate reductases. Journal of the American Chemical Society 131 (20) , pp. 6926-6927. 10.1021/ja901441k

Loveridge, Edric Joel, Maglia, Giovanni and Allemann, Rudolf Konrad

2009. The Role of Arginine 28 in Catalysis by Dihydrofolate Reductase from the HyperthermophileThermotoga maritima. ChemBioChem 10 (16) , pp. 2624-2627. 10.1002/cbic.200900465

Loveridge, Edric Joel, Rodriguez, R. J., Swanwick, Richard S. and Allemann, Rudolf Konrad

2009. Effect of Dimerization on the Stability and Catalytic Activity of Dihydrofolate Reductase from the Hyperthermophile Thermotoga maritima. Biochemistry 48 (25) , pp. 5922-5933. 10.1021/bi900411a

Lu, T. J., Blackburn, S., Dickinson, C., Rosseinsky, M. J., Hutchings, Graham John

, Axon, S. and Leeke, G. A. 2009. Production of titania nanoparticles by a green process route. Powder Technology 188 (3) , pp. 264-271. 10.1016/j.powtec.2008.05.006

Lubombo, C., Curotto, E., Barral, P. E. J. and Mella, Massimo 2009. Thermodynamic properties of ammonia clusters (NH3)(n) n=2-11: Comparing classical and quantum simulation results for hydrogen bonded species. Journal of Chemical Physics 131 (3) 10.1063/1.3159398

Luk, Louis Yu Pan

and Tanner, Martin E. 2009. Mechanism of dimethylallyltryptophan synthase: Evidence for a dimethylallyl cation intermediate in an aromatic prenyltransferase reaction. Journal of the American Chemical Society 131 (39) , pp. 13932-13933. 10.1021/ja906485u

Maarof, Hasmerya 2009. Application of atomistic modelling to molecular solids containing hydrogen bonds. PhD Thesis, Cardiff University.

MacLean, E. J., Tremayne, M., Kariuki, Benson

, Cameron, J. R. A., Roberts, M. A. and Harris, Kenneth David Maclean

2009. Lessons on the Discovery and Assignment of Polymorphs, Highlighted by the Case of the Latent Pigment DPP-Boc. Crystal Growth & Design 9 (2) , pp. 853-857. 10.1021/cg800466x

Marino, Joseph P., Holub, David P., Shahzad, Sohail Anjum

and Wirth, Thomas

2009. Diphenylselenium bis(trifluoroacetate). Paquette, Leo A., ed. E-EROS Encyclopedia of Reagents for Organic Synthesis, Chichester: Wiley,

Mart, Robert J.

, Liem, Kwan Ping and Webb, Simon J. 2009. Magnetically-controlled release from hydrogel-supported vesicle assemblies. Chemical Communications 2009 (17) , pp. 2287-2289. 10.1039/B901472A

Marti-Rujas, J., Desmedt, A., Harris, Kenneth David Maclean

and Guillaume, F. 2009. Bidirectional Transport of Guest Molecules through the Nanoporous Tunnel Structure of a Solid Inclusion Compound. Journal of Physical Chemistry C 113 (2) , pp. 736-743. 10.1021/jp806380p

McKeown, Neil B., Ghanem, Bader S., Harris, Kenneth David Maclean

, Xu, Mingcan, Budd, Peter M., Book, David, Tedds, Steven and Walton, Allan 2009. Tailoring the microporosity of triptycene-based network polymers. Abstracts of Papers of the American Chemical Society 238

Meenakshisundaram, Sankar

, Dimitratos, Nikolaos

, Knight, David William, Carley, Albert Frederick, Tiruvalam, Ramchandra, Kiely, Christopher John

, Thomas, Damian and Hutchings, Graham John

2009. Oxidation of Glycerol to Glycolate by using Supported Gold and Palladium Nanoparticles. Chemsuschem 2 (12) , pp. 1145-1151. 10.1002/cssc.200900133

Mella, Massimo 2009. On possible simplifications in the theoretical description of gas phase atomic cluster dissociation. Journal of Chemical Physics 130 (8) 10.1063/1.3078449

Mella, Massimo 2009. Effect of the cluster angular momentum J and the projectile orbital momentum L on capture probability and postcollision dynamics. Journal of Chemical Physics 131 (12) , 124309. 10.1063/1.3239476

Mella, Massimo and Harris, Kenneth David Maclean

2009. Pathways for hydrogen bond switching in a tetrameric methanol cluster. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 11 (47) , pp. 11340-11346. 10.1039/B911556K

Metwally, M. A., Shaaban, S., Abdel-Wahab, B. F. and El-Hiti, Gamal 2009. 3-Acetylindoles: Synthesis, Reactions and Biological Activities. Current Organic Chemistry 13 (14) , pp. 1475-1496. 10.2174/138527209789055063

Miedziak, Peter John, Tang, Zirong, Davies, Thomas Edward, Enache, Dan I., Bartley, Jonathan Keith

, Carley, Albert Frederick, Herzing, Andrew A., Kiely, Christopher John

2009. Ceria prepared using supercritical antisolvent precipitation: a green support for gold-palladium nanoparticles for the selective catalytic oxidation of alcohols. Journal of Materials Chemistry 19 (45) , pp. 8619-8627. 10.1039/b911102f

Miedziak, Peter John 2009. Selective oxidation reactions catalysed by gold. PhD Thesis, Cardiff University.

Miller, David James, Yu, Fanglei, Knight, David William and Allemann, Rudolf Konrad

2009. 6- and 14-Fluoro farnesyl diphosphate: mechanistic probes for the reaction catalysed by aristolochene synthase. Organic & Biomolecular Chemistry 7 (5) , pp. 962-975. 10.1039/b817194g

Montero, Janine M., Gai, Pratibha, Wilson, Karen and Lee, Adam Fraser 2009. Structure-sensitive biodiesel synthesis over MgO nanocrystals. Green Chemistry 11 (2) , pp. 265-268. 10.1039/b814357a

Morgan, C. and Bowker, Michael

2009. The reaction of vinyl acetate with Pd(110) studied with TPD and molecular beams. Surface Science 603 (1) , pp. 54-59. 10.1016/j.susc.2008.10.024

Morgan, Ian Rhys

, Di Paolo, Angela, Vidovic, Dragoslav, Fallis, Ian Andrew

and Aldridge, Simon 2009. Facile syntheses of dissymmetric ferrocene-functionalized Lewis acids and acid-base pairs. Chemical Communications (47) , pp. 7288-7290. 10.1039/b917304h

Msayib, Kadhum, Book, David, Budd, Peter M., Chaukura, Nhamo, Harris, Kenneth David Maclean

, Helliwell, Madeleine, Tedds, Steven, Walton, Allan, Warren, John E., Xu, Mingcan and McKeown, Neil B. 2009. Nitrogen and hydrogen adsorption by an organic microporous crystal. Angewandte Chemie. International Edition 48 (18) , pp. 3273-3277. 10.1002/anie.200900234

Mullice, Lucy Anne, Thorp-Greenwood, Flora Lottie, Laye, R. H., Coogan, Michael Peter, Kariuki, Benson

2009. The coordination chemistry of fluorescent pyridinyl- and quinolinyl-phthalimide ligands with the {Au-I-PPh3} cationic unit. Dalton Transactions (34) , pp. 6836-6842. 10.1039/b905123f

Murphy, Damien Martin

2009. EPR (Electron paramagnetic resonance) spectroscopy of polycrystalline oxide systems. Jackson, S. David and Hargreaves, Justin S. J., eds. Metal Oxide Catalysis, Weinheim: Wiley-VCH, pp. 1-50. (10.1002/9783527626113.ch1)

Murphy, Damien Martin

, Carter, Emma

, Landon, J., Van Doorslaer, S. and Vinck, E. 2009. Enantioselective binding of structural epoxide isomers by a chiral vanadyl salen complex: a pulsed EPR, cw-ENDOR and DFT investigation. Physical Chemistry Chemical Physics 11 (31) , pp. 6757-6769. 10.1039/b907807j

Muthukumaraswamy, Suresh Daniel

, Edden, Richard Anthony Edward, Jones, Derek K.

, Swettenham, Jennifer B. and Singh, Krish Devi

2009. Resting GABA concentration predicts peak gamma frequency and fMRI amplitude in response to visual stimulation in humans. Proceedings of the National Academy of Sciences of the United States of America 106 (20) , pp. 8356-8361. 10.1073/pnas.0900728106

Nagarajan, S., Thirunavukkarasu, K., Gopinath, C. S., Counsell, Jonathan David, Gilbert, Lee Alexander and Bowker, Michael.

2009. Nitric Oxide Reduction with Ethanol on Palladium Surfaces: A Molecular Beam Study. Journal of Physical Chemistry C 113 (22) , pp. 9814-9819. 10.1021/jp902017c

Ngobeni, M. W., Carley, Albert Frederick, Scurrell, M. S. and Nicolaides, C. R. 2009. The effects of boron and silver on the oxygen-free conversion of methane over Mo/H-ZSM-5 catalysts. Journal of Molecular Catalysis a-Chemical 305 (1-2) , pp. 40-46. 10.1016/j.molcata.2008.10.047

Nilmini, A. H. L. Renuka 2009. Different architectural polymers used in drug/gene delivery. PhD Thesis, Cardiff University.

Normand, Adrien T., Nechaev, Mikhail. S. and Cavell, Kingsley John 2009. Mechanisms in the reaction of palladium(II)–π-allyl complexes with aryl halides: evidence for NHC exchange between two palladium complexes. Chemistry: A European Journal 15 (29) , pp. 7063-7073. 10.1002/chem.200900373

Ntainjua Ndifor, Edwin, Piccinini, Marco

, Pritchard, James Charles, Edwards, Jennifer Kelly

, Carley, Albert Frederick, Moulijn, J. A. and Hutchings, Graham John

2009. Effect of Halide and Acid Additives on the Direct Synthesis of Hydrogen Peroxide using Supported Gold-Palladium Catalysts. Chemsuschem 2 (6) , pp. 575-580. 10.1002/cssc.200800257

Ntainjua Ndifor, Edwin, Piccinini, Marco

, Pritchard, James Charles, He, Qian, Edwards, Jennifer Kelly

, Carley, Albert Frederick, Moulijn, Jacob, Kiely, Christopher John

2009. The Effect of Bromide Pretreatment on the Performance of Supported Au–Pd Catalysts for the Direct Synthesis of Hydrogen Peroxide. ChemCatChem 1 (4) , pp. 479-484. 10.1002/cctc.200900171

Ntainjua Ndifor, Edwin and Taylor, Stuart H.

2009. The Catalytic Total Oxidation of Polycyclic Aromatic Hydrocarbons. Topics in Catalysis 52 (5) , pp. 528-541. 10.1007/s11244-009-9180-x

Onel, Lavinia and Buurma, Niklaas Jan

2009. Reactivity in organised assemblies. Annual Reports Section "B" (Organic Chemistry) 105 , pp. 363-379. 10.1039/b905116n

Overgaard, Jacob, Platts, James Alexis

and Iversen, Bo B. 2009. Experimental and theoretical charge-density study of a tetranuclear cobalt carbonyl complex. Acta Crystallographica Section B Structural Science 65 (6) , pp. 715-723. 10.1107/S0108768109045091

Page, Thomas Keri 2009. Synthesis and reactivity of chiral hypervalent iodine compounds. PhD Thesis, Cardiff University.

Paine, James Stephen 2009. Desymmetrisation reactions of cyclohexa-1,4-dienes. PhD Thesis, Cardiff University.

Pappalardo, D., Pellecchia, C., Milano, G. and Mella, Massimo 2009. Reactivity of a Cationic Alkyl Amino-Functionalized Cyclopentadienyl Aluminum Compound with Olefins: NMR Observation and Computational Investigation of the Single Propene Insertion Product into an Al-C Bond. Organometallics 28 (8) , pp. 2554-2562. 10.1021/om800993e

Paszkowicz, W., Harris, Kenneth David Maclean

and Johnston, R. L. 2009. Genetic algorithms: A universal tool for solving computational tasks in Materials Science Preface. Computational Materials Science 45 (1) , IX-X. 10.1016/j.commatsci.2008.07.008

Pautus, S., Aboraia, A. S., Bassett, C. E., Brancale, Andrea

, Coogan, Michael Peter and Simons, Clare

2009. Design and synthesis of substituted imidazole and triazole N-phenylbenzo[d]oxazolamine inhibitors of retinoic acid metabolizing enzyme CYP26. Journal of Enzyme Inhibition and Medicinal Chemistry 24 (2) , pp. 487-498. 10.1080/14756360802218334

Pera-Titus, M., Alshebani, A., Nicolas, C.- H., Roumégoux, J.- P., Miachon, S. and Dalmon, J. -A. 2009. Nanocomposite MFI−alumina membranes: high-flux hollow fibers for CO2 capture from internal combustion vehicles. Industrial & Engineering Chemistry Research 48 (20) , pp. 9215-9223. 10.1021/ie9004018

Pera-Titus, Marc, El-Chahal, Rayan, Rakotovao, Volainiana, Daniel, Cécile, Miachon, Sylvain and Dalmon, Jean-Alain 2009. Direct volumetric measurement of gas oversolubility in nanoliquids: beyond Henry’s law. ChemPhysChem 10 (12) , pp. 2082-2089. 10.1002/cphc.200900058

Pera-Titus, Marc, Llorens, Joan and Cunill, Fidel 2009. Technical and economical feasibility of zeolite NaA membrane-based reactors in liquid-phase etherification reactions. Chemical Engineering and Processing: Process Intensification 48 (5) , pp. 1072-1079. 10.1016/j.cep.2009.02.006

Pera-Titus, Marc, Miachon, Sylvain and Dalmon, Jean-Alain 2009. Increased gas solubility in nanoliquids: Improved performance in interfacial catalytic membrane contactors. AIChE Journal 55 (2) , pp. 434-441. 10.1002/aic.11656

Pesaresi, Lucilla, Brown, D. R., Lee, Adam Fraser, Montero, Janine M., Williams, Howard and Wilson, Karen 2009. Cs-doped H4SiW12O40 catalysts for biodiesel applications. Applied Catalysis A: General 360 (1) , pp. 50-58. 10.1016/j.apcata.2009.03.003

Pierce, Glesni A., Vidovic, Dragoslav, Kays, Deborah L.

, Coombs, Natalie D., Thompson, Amber L., Jemmis, Eluvathingal D., De, Susmita and Aldridge, Simon 2009. Half-sandwich group 8 borylene complexes: synthetic and structural studies and oxygen atom abstraction chemistry. Organometallics 28 (10) , pp. 2947-2960. 10.1021/om801215b

Pinheiro, Lucimar, Gonzaga De Oliveira, Luciana and Marsaioli, Anita J. 2009. Assessing the absolute configuration of (7S,8R)-(−)-epoxyjasmone. Journal of Molecular Catalysis B: Enzymatic 60 (3-4) , pp. 133-137. 10.1016/j.molcatb.2009.04.010

Platts, James Alexis

and Gkionis, Konstantinos 2009. NMR shielding as a probe of intermolecular interactions: ab initio and density functional theory studies. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 11 (44) , pp. 10331-10339. 10.1039/B822560E

Poh, C. L., Kitney, R. I. and Akhtar, Shahid. 2009. Web-Based Multilayer Viewing Interface for Knee Cartilage. Ieee Transactions on Information Technology in Biomedicine 13 (4) , pp. 546-553. 10.1109/TITB.2008.2007667

Pollington, S. D., Enache, D. I., Landon, P., Meenakshisundaram, Sankar

, Dimitratos, Nikolaos

, Wagland, A., Hutchings, Graham John

and Stitt, E. H. 2009. Enhanced selective glycerol oxidation in multiphase structured reactors. Catalysis Today 145 (1-2) , pp. 169-175. 10.1016/j.cattod.2008.04.020

Porzelle, Achim, Woodrow, M. D. and Tomkinson, Nicholas Charles Oliver 2009. Facile Procedure for the Synthesis of N-Aryl-N-hydroxy Carbamates. Synlett (5) , pp. 798-802. 10.1055/s-0028-1087943

Porzelle, Achim, Woodrow, M. D. and Tomkinson, Nicholas Charles Oliver 2009. Palladium-Catalyzed Coupling of Hydroxylamines with Aryl Bromides, Chlorides, and Iodides. Organic Letters 11 (1) , pp. 233-236. 10.1021/ol8025022

Redman, James Edward

, Granadino-Roldán, J. M., Schouten, James A., Ladame, Sylvain, Reszka, Anthony P., Neidle, Stephen and Balasubramanian, Shankar 2009. Recognition and discrimination of DNA quadruplexes by acridine-peptide conjugates. Organic & Biomolecular Chemistry 7 (1) , pp. 76-84. 10.1039/b814682a

Rehbein, Julia and Hiersemann, M. 2009. Gosteli-Claisen Rearrangement: DFT Study of Substituent-Rate Effects. Journal of Organic Chemistry 74 (11) , pp. 4336-4342. 10.1021/jo900635k

Rehbein, Julia, Leick, S. and Hiersemann, M. 2009. Gosteli-Claisen Rearrangement: Substrate Synthesis, Simple Diastereoselectivity, and Kinetic Studies. Journal of Organic Chemistry 74 (4) , pp. 1531-1540. 10.1021/jo802303m

Rehbein, Julia, Schürmann, M., Preut, H. and Hiersemann, M. 2009. {2,2-Bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propane}bis(N,N-dimethylformamide)copper(II) bis(hexafluoridoantimonate). Acta Crystallographica Section E - Structure Reports Online E65 (7) , M737. 10.1107/S1600536809020364

Ren, Jia, Wang, Wenzhong, Sun, Songmei, Zhang, Ling and Chang, Jiang 2009. Enhanced photocatalytic activity of Bi2WO6 loaded with Ag nanoparticles under visible light irradiation. Applied Catalysis B: Environmental 92 (1-2) , 50--55. 10.1016/j.apcatb.2009.07.022

Rennie, E. E., Cooper, L., Shpinkova, L. G., Holland, D. M. P., Shaw, D. A., Guest, Martyn Frederick and Mayer, P. M. 2009. Methyl t-butyl ether and methyl trimethylsilyl ether ions dissociate near their ionization thresholds: A TPES, TPEPICO, RRKM, and G3 investigation. Journal of Physical Chemistry A 113 (20) , pp. 5823-5831. 10.1021/jp900991p

Robinson, M. W. C., Davies, A. M., Mabbett, I., Apperley, D. C., Taylor, Stuart H.

and Graham, Andrew E. 2009. Synthesis and catalytic activity of nanoporous aluminosilicate materials. Journal of Molecular Catalysis A: Chemical 314 (1-2) , pp. 10-14. 10.1016/j.molcata.2009.09.005

Robinson, M. W., Davies, A. M., Buckle, R., Mabbett, I., Taylor, Stuart H.

and Graham, Andrew E 2009. Epoxide ring-opening and Meinwald rearrangement reactions of epoxides catalyzed by mesoporous aluminosilicates. Organic & Biomolecular Chemistry 7 (12) , pp. 2559-2564. 10.1039/B900719A

Rofe, K., Douglas, P., Morley, Christopher Peter, Webster, C. A. and Pichereau, J. G. 2009. Palladium Diselenolenes: a New Group of near-Infrared Lumophores. Inorganic Chemistry 48 (10) , pp. 4549-4556. 10.1021/ic801694r

Roldan Martinez, Alberto

, Gonzalez, Silvia, Ricart, Josep Manel and Illas, Francesc 2009. Critical size for O-2 dissociation by Au nanoparticles. ChemPhysChem 10 (2) , pp. 348-351. 10.1002/cphc.200800702

Roldan Martinez, Alberto

, Manel Ricart, Josep and Illas, Francesc 2009. Influence of the exchange-correlation potential on the description of the molecular mechanism of oxygen dissociation by Au nanoparticles. Theoretical Chemistry Accounts 123 (1-2) , pp. 119-126. 10.1007/s00214-009-0540-1

Roldan Martinez, Alberto

, Ricart, Josep M. and Illas, Francesc 2009. Growth and properties of Au nanowires. Molecular Simulation 35 (12-13) , pp. 1051-1056. 10.1080/08927020902902775

Roldan Martinez, Alberto

, Torres, Daniel, Ricart, Josep M. and Illas, Francesc 2009. On the effectiveness of partial oxidation of propylene by gold: A density functional theory study. Journal of Molecular Catalysis A: Chemical 306 (1-2) , pp. 6-10. 10.1016/j.molcata.2009.02.013

Rouleau, L., Pirngruber, G., Guillou, F., Barrère-Tricca, C., Omegna, A., Valtchev, V., Pera-Titus, M., Miachon, S. and Dalmon, J. A. 2009. Nanocomposite MFI-alumina and FAU-alumina membranes: synthesis, characterization and application to paraffin Sseparation and CO2 capture. Oil & Gas Science and Technology-Revue d IFP Energies nouvelles 64 (6) , pp. 745-758. 10.2516/ogst/2009036

Russell, A. G., Guveli, T., Kariuki, Benson

and Snaith, J. S. 2009. Synthesis and characterisation of two new binaphthyl trisilanes. Journal of Organometallic Chemistry 694 (1) , pp. 137-141. 10.1016/j.jorganchem.2008.09.054

Schulten, Christian 2009. Studies of the chemistry of phosphaalkynes and transition metal (I) amidinate and guanadinate complexes. PhD Thesis, Cardiff University.

Schuur, Boelo, Hallett, Andrew Jon, Winkelman, Jozef G. M., Vries, Johannes G. de and Heeres, Hero J. 2009. Scalable Enantioseparation of Amino Acid Derivatives Using Continuous Liquid−Liquid Extraction in a Cascade of Centrifugal Contactor Separators. Organic Process Research and Development 13 (5) , pp. 911-914. 10.1021/op900152e

Sehnal, Petr, Taghzouti, Hanaa, Fairlamb, Ian J. S., Jutand, Anny, Lee, Adam Fraser and Whitwood, Adrian C. 2009. Heteroaromatic analogues of dibenzylideneacetone (dba) and Pd02(het-dba)3complexes: effect of a thienyl moiety on the reactivity of Pd0(eta2-thn-dba)(PPh3)2/Pd0(PPh3)2(n= 1 or 2) and Pd0(eta2-th2-dba)(dppe)/Pd0(dppe) in oxidative addition reactions with iodobenzene. Organometallics 28 (3) , pp. 824-829. 10.1021/om800975w

Shah, A, Khan, Z. A., Choudhary, N., Loholter, C., Schafer, S., Marie, G. P. L., Farooq, U., Witulski, B. and Wirth, Thomas

2009. Iodoxolone-Based Hypervalent Iodine Reagents. Organic Letters 11 (16) , pp. 3578-3581. 10.1021/ol9014688

Shahzad, Sohail Anjum

and Wirth, Thomas

2009. Fast synthesis of benzofluorenes by selenium-mediated carbocyclizations. Angewandte Chemie. International Edition 48 (14) , pp. 2588-2591. 10.1002/anie.200806148

Shang, Meng, Wang, Wenzhong, Ren, Jia, Sun, Songmei, Wang, Lu and Zhang, Ling 2009. A practical visible-light-driven Bi2WO6 nanofibrous mat prepared by electrospinning. Journal of Materials Chemistry 19 (34) , p. 6213. 10.1039/b907849e

Shang, Meng, Wang, Wenzhong, Sun, Songmei, Ren, Jia, Zhou, Lin and Zhang, Ling 2009. Efficient Visible Light-Induced Photocatalytic Degradation of Contaminant by Spindle-like PANI/BiVO4. Journal of Physical Chemistry C 113 (47) , 20228--20233. 10.1021/jp9067729

Shang, Meng, Wang, Wenzhong, Zhang, Ling, Sun, Songmei, Wang, Lu and Zhou, Lin 2009. 3D Bi2WO6/TiO2 Hierarchical Heterostructure: Controllable Synthesis and Enhanced Visible Photocatalytic Degradation Performances. Journal of Physical Chemistry C 113 (33) , 14727--14731. 10.1021/jp9045808

Shang, Meng, Wang, Wenzhong, Zhou, Lin, Sun, Songmei and Yin, Wenzong 2009. Nanosized BiVO4 with high visible-light-induced photocatalytic activity: Ultrasonic-assisted synthesis and protective effect of surfactant. Journal of hazardous materials 172 (1) , 338--344. 10.1016/j.jhazmat.2009.07.017

Sharma, Pankaj

, Singh, Gurpreet and Tomar, Radha 2009. Synthesis and characterization of an analogue of heulandite: Sorption applications for thorium(IV), europium(III), samarium(II) and iron(III) recovery from aqueous waste. Journal of Colloid and Interface Science 332 (2) , pp. 298-308. 10.1016/j.jcis.2008.12.074

Shimshoni, J. A., Dalton, Emma Charlotte

, Watson, Peter Duncan

, Yagen, B., Bialer, M. and Harwood, Adrian John

2009. Evaluation of the effects of propylisopropylacetic acid (PIA) on neuronal growth cone morphology. Neuropharmacology 56 (4) , pp. 831-837. 10.1016/j.neuropharm.2009.01.014

Simpkins, Nigel S. and Wirth, Thomas

2009. tert-Butyl Hypoiodite. Paquette, Leo A., ed. Encyclopedia of Reagents for Organic Synthesis (EROS). 2nd ed., Chichester: Wiley,

Smart, Philip David. 2009. A semantic web rule language for geospatial domains. PhD Thesis, Cardiff University.

Smith, Keith.

, Yang, Jing-Jing, Li, Zhaoqiang, Weeks, Ian

and Woodhead, J. Stuart 2009. Synthesis and properties of novel chemiluminescent biological probes: 2- and 3-(2-Succinimidyloxycarbonylethyl)phenyl acridinium esters. Journal of Photochemistry and Photobiology A: Chemistry 203 (1) , pp. 72-79. 10.1016/j.jphotochem.2008.12.020

Smith, Keith.

, El-Hiti, Gamal A. and Hegazy, Amany Saber 2009. Unexpected variations in sites of lithiation of N-(2-methoxybenzyl)- pivalamide. Synlett (14) , pp. 2242-2244. 10.1055/s-0029-1217722

Smith, Keith

, Ajarim, Mansour Dahish, El-Hiti, Gamal A. and Peters, Christelle 2009. Catalytic mononitration of phenol using iso-propyl nitrate over zeolite catalysts. Topics in Catalysis 52 (12) , pp. 1696-1700. 10.1007/s11244-009-9304-3

Smith, Keith

, El-Hiti, Gamal A., Matthews, Ian, Al-Shamali, Mahmoud and Watson, Trystan 2009. Rearrangement of epoxides to allylic alcohols in the presence of reusable basic resins. Catalysis Letters 128 (1-2) , pp. 101-105. 10.1007/s10562-008-9705-0

Smith, Keith and Thomas, John Meurig 2009. New solid catalysts for clean technology [Preface]. Topics in Catalysis 52 (12) , p. 1629. 10.1007/s11244-009-9299-9

Sofia, L. T. Aany, Krishnan, Asha, Meenakshisundaram, Sankar

, Kala Raj, N. K., Manikandan, P., Rajamohanan, P. R. and Ajithkumar, T. G. 2009. Immobilization of phosphotungstic acid (PTA) on imidazole functionalized silica: evidence for the nature of PTA binding by solid state NMR and reaction studies. Journal of Physical Chemistry C 113 (50) , pp. 21114-21122. 10.1021/jp906108e

Sokolowska, M., Czapinska, H. and Bochtler, Matthias

2009. Crystal structure of the -Me type II restriction endonuclease Hpy99I with target DNA. Nucleic Acids Research 37 (11) , pp. 3799-3810. 10.1093/nar/gkp228

Solsona, B., Garcia, T., Hutchings, Graham John

and Makkee, M. 2009. TAP reactor study of the deep oxidation of propane using cobalt oxide and gold-containing cobalt oxide catalysts. Applied Catalysis a-General 365 (2) , pp. 222-230. 10.1016/j.apcata.2009.06.016

Solsona, Benjamin Espriu, Garcia, T., Murillo, R., Mastral, A. M., Ndifor, Ntainjua Edwin., Hetrick, C. E., Amiridis, M. D. and Taylor, Stuart H.

2009. Ceria and Gold/Ceria Catalysts for the Abatement of Polycyclic Aromatic Hydrocarbons: An In Situ DRIFTS Study. Topics in Catalysis 52 (5) , pp. 492-500. 10.1007/s11244-009-9184-6

Spencer, John, Casini, Angela

, Zava, Olivier, Rathnam, Rajendra P., Velhanda, Santosh K., Pfeffer, Michel, Callear, Samantha K., Hursthouse, Michael B. and Dyson, Paul J. 2009. Excellent correlation between cathepsin B inhibition and cytotoxicity for a series of palladacycles. Dalton Transactions (48) , pp. 10731-10735. 10.1039/B912096C

Sulaimalebbe, Aslam 2009. Modelling, analysis and validation of microwave techniques for the characterisation of metallic nanoparticles. PhD Thesis, Cardiff University.

Sun, Songmei, Wang, Wenzhong, Zhang, Ling and Shang, Meng 2009. Visible Light-Induced Photocatalytic Oxidation of Phenol and Aqueous Ammonia in Flowerlike Bi2Fe4O9 Suspensions. Journal of Physical Chemistry C 113 (29) , 12826--12831. 10.1021/jp9029826

Sun, Songmei, Wang, Wenzhong, Zhang, Ling, Zhou, Lin, Yin, Wenzong and Shang, Meng 2009. Visible Light-Induced Efficient Contaminant Removal by Bi5O7I. Environmental science & technology. 43 (6) , 2005--2010. 10.1021/es8032814

Sun, Songmei, Wang, Wenzhong, Zhou, Lin and Xu, Haolan 2009. Efficient Methylene Blue Removal over Hydrothermally Synthesized Starlike BiVO4. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 48 (4) , 1735--1739. 10.1021/ie801516u

Tallis, Huw Aubrey 2009. Novel approaches towards phosphorous containing macrocycles. PhD Thesis, Cardiff University.

Tang, Zi-Rong, Jones, Christopher David, Aldridge, James K. W., Davies, Thomas Edward, Bartley, Jonathan Keith

, Allix, Mathieu, Dickinson, Calum, Rosseinsky, Matthew J., Claridge, John B., Xu, Zhongling, Crudace, Mandy J. and Hutchings, Graham John

2009. New nanocrystalline Cu/MnOx catalysts prepared from supercritical antisolvent precipitation. ChemCatChem 1 (2) , pp. 247-251. 10.1002/cctc.200900195

Taufiq-Yap, Y. H., Goh, C. K., Hutchings, Graham John

2009. Dependence of n-Butane Activation on Active Site of Vanadium Phosphate Catalysts. Catalysis Letters 130 (3-4) , pp. 327-334. 10.1007/s10562-009-0003-2

Taylor, M. N., Carley, Albert Frederick, Davies, Thomas Edward and Taylor, Stuart H.

2009. The Oxidative Dehydrogenation of Propane Using Vanadium Oxide Supported on Nanocrystalline Ceria. Topics in Catalysis 52 (12) , pp. 1660-1668. 10.1007/s11244-009-9307-0

Taylor, Stuart H.

2009. Preface: Catalytic Aspects of Complete Oxidation of Volatile Organic Compounds. Topics in Catalysis 52 (5) , p. 457. 10.1007/s11244-009-9179-3

Thorp-Greenwood, Flora Lottie, Coogan, Michael Peter, Hallett, Andrew Jon, Laye, R. H. and Pope, Simon J. A.

2009. Syntheses, structural studies and spectroscopic characterisation of pyridyl-phthalimide complexes of fac-(CO)(3)Re-I-diimines. Journal of Organometallic Chemistry 694 (9-10) , pp. 1400-1406. 10.1016/j.jorganchem.2008.12.048

Uehlin, Lars and Wirth, Thomas

2009. Synthesis of Chiral Acetals by Asymmetric Selenenylations. Phosphorus Sulfur and Silicon and the Related Elements 184 (6) , pp. 1374-1385. 10.1080/10426500902930167

Vaismaa, M. J. P., Yau, Sze Chak and Tomkinson, Nicholas Charles Oliver 2009. Organocatalytic alpha-oxybenzoylation of aldehydes. Tetrahedron Letters 50 (26) , pp. 3625-3627. 10.1016/j.tetlet.2009.03.082

Van Doorslaer, S., Caretti, I., Fallis, Ian Andrew

2009. The power of electron paramagnetic resonance to study asymmetric homogeneous catalysts based on transition-metal complexes. Coordination Chemistry Reviews 253 (15-16) , pp. 2116-2130. 10.1016/j.ccr.2008.12.010

Velkova, Valentina, Lalev, Georgi Maximov, Hirshy, Hassan

, Scholz, Steffen Gerhard and Dimov, Stefan Simeonov 2009. Novel process chain for fabrication of Ni shims. Presented at: 4M 2009: 6th International Conference on Multi-Material Micro Manufacture, Karlsruhe, Germany, 23-25 September 2009. Published in: Saile, V., Ehmann, K. and Dimov, Stefan Simeonov eds. Proceedings of 4M 2009: 6th International Conference on Multi-Material Micro Manufacture. Singapore: Research Publishing, pp. 411-414. 10.3850/4M2009RP001_9087

Vicent, M. J., Ringsdorf, H. and Duncan, Ruth 2009. Polymer therapeutics: Clinical applications and challenges for development. Advanced Drug Delivery Reviews 61 (13) , pp. 1117-1120. 10.1016/j.addr.2009.08.001

Vinck, Evi, Murphy, Damien Martin

, Carley, Albert Frederick, Bartley, Jonathan Keith

and Doorslaer, Sabine 2009. A Pulsed EPR and DFT Investigation of the Stabilization of Coordinated Phenoxyl Radicals in a Series of Cobalt Schiff-Base Complexes. Applied Magnetic Resonance 37 (1-4) , pp. 289-303. 10.1007/s00723-009-0059-6

Wallis, C., Edwards, Peter Gerald

, Hanton, M., Newman, Paul David

, Stasch, Andreas

, Jones, C. and Tooze, R. P. 2009. Coordination chemistry of 2,6-dixylyl-4-phenylphosphabarrelene with selected transition metals. Dalton Transactions (12) , pp. 2170-2177. 10.1039/b816499a

Wallis, C., McGuinness, D., Newman, Paul David

, Tooze, R. P. and Edwards, Peter Gerald

2009. Tungsten(0) and rhodium(I) complexes of a series of 2-(2 '-halo)triarylphosphinines. Dalton Transactions (12) , pp. 2178-2184. 10.1039/b816507f

Wang, Manhui

, May, Andrew James and Knowles, Peter James

2009. Parallel programming interface for distributed data. Computer Physics Communications 180 (12) , pp. 2673-2679. 10.1016/j.cpc.2009.05.002

Ward, Benjamin David

, Lukešová, Lenka, Wadepohl, Hubert, Bellemin-Laponnaz, Stéphane and Gade, Lutz H. 2009. Scandium-catalyzed polymerization of CH3(CH2)nCH=CH2 (n = 0–4): remarkable activity and tacticity control. European Journal of Inorganic Chemistry 2009 (7) , pp. 866-871. 10.1002/ejic.200801106

Warren, Mark R., Brayshaw, Simon K., Johnson, Andrew L., Schiffers, Stefanie, Raithby, Paul R., Easun, Timothy

, George, Michael W., Warren, John E. and Teat, Simon J. 2009. Reversible 100% linkage isomerization in a single-crystal to single-crystal transformation: Photocrystallographic identification of the metastable [Ni(dppe)(eta(1)-ONO)Cl] isomer. Angewandte Chemie - International Edition 48 (31) , pp. 5711-5714. 10.1002/anie.200901706

Waugh, D. G., Lawrence, J. and Morgan, D. J.

2009. Investigation into time dependant degradation and atmospheric conditions on the wettability of nylon 6,6 which has undergone CO2 laser surface modification. Presented at: 28th International Congress on Applications of Lasers & Electro-Optics (ICALEO 2009), Orlando, Florida, USA, 2-5 November 2009. ICALEO® 2009: 28th International Congress on Laser Materials Processing, Laser Microprocessing and Nanomanufacturing. , vol.2009 pp. 98-108. 10.2351/1.5061677

Waugh, D. G., Lawrence, J., Morgan, David John

and Thomas, C. L. 2009. Interaction of CO2 laser-modified nylon with osteoblast cells in relation to wettability. Materials Science and Engineering C 29 (8) , pp. 2514-2524. 10.1016/j.msec.2009.07.020

Weitershaus, Katharina, Ward, Benjamin David

, Kubiak, Raphael, Müller, Carsten, Wadepohl, Hubert, Doye, Sven and Gade, Lutz H. 2009. Titanium hydroamination catalysts bearing a 2-aminopyrrolinato spectator ligand: monitoring the individual reaction steps. Dalton Transactions 38 (23) , pp. 4586-4602. 10.1039/B902038A

Weller, Michael D., Kariuki, Benson

and Cox, Liam R. 2009. Synthesis of hybrid masked triyne-phenylene axial rods containing (E)-beta-chlorovinylsilanes in the pi-conjugated framework. Journal of Organic Chemistry 74 (20) , pp. 7898-7907. 10.1021/jo901766p

Weng, W., Dummer, Nicholas

and Kiely, Christopher John

2009. Evaluation and structural characterization of dupont V-P-O/SiO2 catalysts. Microscopy and Microanalysis 15 (SUPPL.) , pp. 1412-1413. 10.1017/S1431927609092332

Weng, W., Lin, Zhonjie, Dummer, Nicholas

and Kiely, Christopher John

2009. Structural characterization of vanadium phosphate catalysts prepared using a Di-block copolymer template. Microscopy and Microanalysis 15 (SUPPL.) , pp. 1438-1439. 10.1017/S1431927609094203

Weng, X. L., Perston, B., Wang, X. Z., Abrahams, I., Lin, T., Yang, S. F., Evans, J. R. G., Morgan, David John

, Carley, Albert Frederick, Bowker, Michael.

, Knowles, J. C., Rehman, I. and Darr, J. A. 2009. Synthesis and characterization of doped nano-sized ceria-zirconia solid solutions. Applied Catalysis B-Environmental 90 (3-4) , pp. 405-415. 10.1016/j.apcatb.2009.03.031

Wilkins, Derek 2009. Dicobaltoctacarbonyl species in organic synthesis : a novel route into tricyclic fused ring systems. PhD Thesis, Cardiff University.

Willock, David James

2009. Molecular symmetry. Chichester: Wiley. 10.1002/9780470747414

Wilson, N.R., Pandey, P.A., Beanland, R., Young, R.J., Kinloch, I.A., Gong, L., Liu, Z., Suenaga, K., Rourke, J.P.

, York, S.J. and Sloan, J. 2009. Graphene Oxide: Structural Analysis and Application as a Highly Transparent Support for Electron Microscopy. ACS Nano 3 (9) , pp. 2547-2556. 10.1021/nn900694t

Xu, Mingcan., Harris, Kenneth David MacLean

and Thomas, John Meurig 2009. In situ solid-state 1H NMR studies of hydration of the solid acid catalyst ZSM-5 in its ammonium form. Solid State Nuclear Magnetic Resonance 35 (2) , pp. 93-99. 10.1016/j.ssnmr.2008.12.011

Xu, Mingcan, Harris, Kenneth David Maclean

and Thomas, John Meurig 2009. Preferential Clustering of Water Molecules During Hydration of the Ammonium Form of the Solid Acid Catalyst ZSM-5. Catalysis Letters 131 (1-2) , pp. 16-20. 10.1007/s10562-009-0031-y

Xuan, Zheng-Qian

2009. Gas-phase selective oxidation of C3-C4 hydrocarbon using only molecular oxygen. PhD Thesis, Cardiff University.

Yin, Wenzong, Wang, Wenzhong, Shang, Meng, Zhou, Lin, Sun, Songmei and Wang, Lu 2009. BiVO4Hollow Nanospheres: Anchoring Synthesis, Growth Mechanism, and Their Application in Photocatalysis. European Journal of Inorganic Chemistry 2009 (29-30) , 4379--4384. 10.1002/ejic.200900614

Young, Neil James 2009. Computational investigation of the reaction mechanism of aristolochene synthase. PhD Thesis, Cardiff University.

Yurkovich, Michael J., Duan, Penggao, Shea, Ryan C., Watkins, Michael A., Mandell, Sarah M., Tippmann, Eric Michael, Li, Sen Jason, Platz, Matthew S. and Kenttämaa, Hilkka I. 2009. The reactivity of metallated nitrenium ions studied by FT-ICR. International Journal of Mass Spectrometry 287 (1-3) , pp. 16-20. 10.1016/j.ijms.2009.03.011

Zhang, Ling, Wang, Wenzhong, Shang, Meng, Sun, Songmei and Xu, Jiehui 2009. Bi2WO6@carbon/Fe3O4 microspheres: Preparation, growth mechanism and application in water treatment. Journal of hazardous materials 172 (2-3) , p. 1193. 10.1016/j.jhazmat.2009.07.123

Zhang, Ling, Wang, Wenzhong, Zhou, Lin, Shang, Meng and Sun, Songmei 2009. Fe3O4 coupled BiOCl: A highly efficient magnetic photocatalyst. Applied Catalysis B: Environmental 90 (3-4) , 458--462. 10.1016/j.apcatb.2009.04.005

Zhang, Z., Goodall, J. B. M., Morgan, David John

, Brown, S., Clark, R. J. H., Knowles, J. C., Mordan, N. J., Evans, J. R. G., Carley, Albert Frederick, Bowker, Michael

and Darr, J. A. 2009. Photocatalytic activities of N-doped nano-titanias and titanium nitride. Journal of the European Ceramic Society 29 (11) , pp. 2343-2353. 10.1016/j.jeurceramsoc.2009.02.008

Zhou, Binbin, Denning, Mark S., Kays, Deborah L.

and Goicoechea, Jose M. 2009. Synthesis and isolation of [Fe@Ge10]3-: a pentagonal prismatic zintl ion cage encapsulating an interstitial iron atom. Journal of the American Chemical Society 131 (8) , pp. 2802-2803. 10.1021/ja900055j

Zhou, Lin, Wang, Wenzhong, Xu, Haolan, Sun, Songmei and Shang, Meng 2009. Bi2O3 hierarchical nanostructures: Controllable synthesis, growth mechanism, and their application in photocatalysis. Chemistry - A European Journal 15 (7) , p. 1776. 10.1002/chem.200801234

Zhou, Zhongfu and Harris, Kenneth David Maclean

2009. Multiple-fragment representations of molecular geometry in direct-space structure solution from powder X-ray diffraction data using genetic algorithms. Computational Materials Science 45 (1) , pp. 118-121. 10.1016/j.commatsci.2008.03.047

2008

Wirth, Thomas

, ed. 2008. Microreactors in organic synthesis and catalysis. Weinheim: Wiley-VCH.

Harris, Kenneth David Maclean

and Edwards, Peter. P., eds. 2008. Turning points in solid-state, materials and surface science. Cambridge: Royal Society of Chemistry. 10.1039/9781847558183

Abu-Jrai, A., Tsolakis, A., Theinnoi, K., Megaritis, A. and Golunski, Stanislaw E.

2008. Diesel exhaust-gas reforming for H2 addition to an aftertreatment unit. Chemical Engineering Journal 141 (1-3) , pp. 290-297. 10.1016/j.cej.2007.12.028

Acerbi, Nadia, Tsang, Shik Chi, Golunski, Stanislaw E.

and Collier, Paul 2008. A practical demonstration of electronic promotion in the reduction of ceria coated PGM catalysts. Chemical Communications (13) , pp. 1578-1580. 10.1039/b718956g

Adams, Christopher J., Anderson, Kirsty M., Charmant, Jonathan P. H., Connelly, Neil G., Field, Bevis A., Hallett, Andrew Jon and Horne, Matthew 2008. Solid state and solution structures of rhodium and iridium poly(pyrazolyl)borate diene complexes. Dalton Transactions (20) , pp. 2680-2692. 10.1039/b719223a

Adymkanov, S. V., Yampol'skii, Y. P., Polyakov, A. M., Budd, P. M., Reynolds, K. J., McKeown, Neil B. and Msayib, Kadhum Jawad 2008. Pervaporation of alcohols through highly permeable PIM-1 polymer films. Polymer Science Series A 50 (4) , pp. 444-450. 10.1134/S0965545X08040135

Ahmed, Aminu. 2008. Mixed donor carbene pyridyl ligands and their metal complexes. PhD Thesis, Cardiff University.

Ahmed-Omer, B., Barrow, David Anthony

and Wirth, Thomas

2008. Effect of segmented fluid flow, sonication and phase transfer catalysis on biphasic reactions in capillary microreactors. Chemical Engineering Journal 135 (S1) , S280-S283. 10.1016/j.cej.2007.07.017

Ahmed-Omer, Batoul and Wirth, Thomas

2008. Liquid-liquid biphasic reactions. Wirth, Thomas, ed. Microreactors in Organic Synthesis and Catalysis, Weinheim: Wiley-VCH, pp. 122-139. (10.1002/9783527622856.ch4)

Allemann, Rudolf Konrad

2008. Chemical wizardry? The generation of diversity in terpenoid biosynthesis. Pure and Applied Chemistry 80 (8) , pp. 1791-1798. 10.1351/pac200880081791

Alshebani, A., Pera-Titus, M., Landrivon, E., Schiestel, Th., Miachon, S. and Dalmon, J.-A. 2008. Nanocomposite MFI – ceramic hollow fibres: prospects for CO2 separation. Microporous and Mesoporous Materials 115 (1-2) , pp. 197-205. 10.1016/j.micromeso.2007.11.050

Alshebani, A., Pera-Titus, M., Yeung, K.L., Miachon, S. and Dalmon, J.-A. 2008. Influence of desorption conditions before gas separation studies in nanocomposite MFI–alumina membranes. Journal of Membrane Science 314 (1-2) , pp. 143-151. 10.1016/j.memsci.2008.01.045

Altermann, Sabine 2008. Novel chiral hypervalent iodoarenes in enantioselective iodocatalysis and oxidation reactions. PhD Thesis, Cardiff University.

Altermann, Sabine M., Richardson, Robert David, Page, Thomas Keri, Schmidt, Ruth Katharina, Holland, Edward James, Mohammed, Umal, Paradine, Shauna M., French, Andrew N., Richter, Christine, Bahar, A. Masir, Witulski, Bernhard and Wirth, Thomas

2008. Catalytic Enantioselective alpha-Oxysulfonylation of Ketones Mediated by Iodoarenes. European Journal of Organic Chemistry (31) , pp. 5315-5328. 10.1002/ejoc.200800741

Amoroso, Angelo James

, Burrows, M. W., Coles, S. J., Haigh, R., Farley, R. D., Hursthouse, M. B., Jones, M., Malik, K. M. A. and Murphy, Damien Martin

2008. The synthesis and structure of terpyridine-N-oxide complexes of copper(II) perchlorate. Dalton Transactions (4) , pp. 506-513. 10.1039/b713444d

Amoroso, Angelo James

, Arthur, Richard John, Coogan, Michael Peter, Court, Jonathan B., Fernández-Moreira, Vanesa

, Hayes, Anthony Joseph, Lloyd, David

, Millet, Coralie Ode and Pope, Simon J. A.

2008. 3-Chloromethylpyridyl bipyridine fac-tricarbonyl rhenium: a thiol-reactive luminophore for fluorescence microscopy accumulates in mitochondria. New Journal of Chemistry 32 (7) , pp. 1097-1102. 10.1039/b802215a

Andrews, Michael Bryan, Laye, R. H., Harding, L. P. and Pope, Simon J. A.

2008. Quinoxaline sensitised lanthanide ion luminescence: Syntheses, spectroscopy and X-ray crystal structure of Na{1,4,7-tris[(N-diethyl)carbamoylmethyl]-1,4,7,10-tetraazacyclododecane -10-(2-methylquinoxaline)}I-3 C7H8. Polyhedron 27 (11) , pp. 2365-2371. 10.1016/j.poly.2008.04.010

Aon, M. A., Roussel, M. R., Cortassa, S., O'Rourke, B., Murray, D. B., Beckmann, M. and Lloyd, David

2008. The scale-free dynamics of eukaryotic cells. PLoS ONE 3 (11) 10.1371/journal.pone.0003624

Archard, Daniel 2008. Molecular beam studies of model NSR catalysts. PhD Thesis, Cardiff University.

Armstrong, R., Stirk, S. M., Mennicke, R. T., Matthew, J. A. D., Stanton, T., Lee, Adam Fraser and Thompson, S. M. 2008. Two-dimensional imaging of giant magnetoresistance with improved sensitivity. IEEE Transactions on Magnetics 44 (11) , pp. 2632-2635. 10.1109/TMAG.2008.2002599

Ascone, Isabella, Messori, Luigi, Casini, Angela

, Gabbiani, Chiara, Balerna, Antonella, Dell'Unto, Francesca and Castellano, Agostina Congiu 2008. Exploiting soft and hard X-ray absorption spectroscopy to characterize metallodrug/protein interactions: the binding of [trans-RuCl4(Im)(dimethylsulfoxide)][ImH] (Im = imidazole) to bovine serum albumin. Inorganic Chemistry 47 (19) , pp. 8629-8634. 10.1021/ic8001477

Baber, Angharad, Fan, Cheng, Norman, David W., Orpen, A. Guy, Pringle, Paul G. and Wingad, Richard L. 2008. Oxidative dehydrogenation of tris(o-isopropylphenyl)phosphines by platinum complexes. Organometallics 27 (22) , pp. 5906-5910. 10.1021/om800382m

Baburin, I. A., Leoni, Stefano

and Seifert, G. 2008. Enumeration of not-yet-synthesized zeolitic zinc imidazolate MOF networks: a topological and DFT approach. Journal of Physical Chemistry B 112 (31) , pp. 9437-9443. 10.1021/jp801681w

Baca, S. G., Pope, Simon J. A.

, Adams, H. and Ward, M. D. 2008. Cyanide-bridged Os(II)/Ln(III) coordination networks containing [Os(phen)(CN)(4)](2-) as an energy donor: Structural and photophysical properties. Inorganic Chemistry 47 (9) , pp. 3736-3747. 10.1021/ic702353c

Bacon, Catherine E., Eisler, Dana J., Melen, Rebecca L.

and Rawson, Jeremy M. 2008. Formation of N-bridgehead 1,2,5-thiadiazolium and selenadiazolium rings through an intramolecular cyclisation reaction. Chemical Communications 40 , pp. 4924-4926. 10.1039/b809987a

Bagley, Mark Christopher, Davis, Terence

, Dix, M. C., Murziani, Paola G. S., Rokicki, Michal Jaroslaw and Kipling, David Glyn 2008. Microwave-assisted synthesis of 5-aminopyrazol-4-yl ketones and the p38(MAPK) inhibitor RO3201195 for study in Werner syndrome cells. Bioorganic & Medicinal Chemistry Letters 18 (13) , pp. 3745-3748. 10.1016/j.bmcl.2008.05.037

Baker, R. J., Jones, Cameron, Mills, D. P., Pierce, G. A. and Waugh, Mark 2008. Investigations into the preparation of groups 13-15 N-heterocyclic carbene analogues. Inorganica Chimica Acta 361 (2) , pp. 427-435. 10.1016/j.ica.2006.12.014

Bowker, Michael.

, Carley, Albert Frederick and House, Matthew Peter 2008. Contrasting the behaviour of MoO3 and MoO2 for the oxidation of methanol. Catalysis Letters 120 (1-2) , pp. 34-39. 10.1007/s10562-007-9255-x

Bowker, Michael.

and Fourre, E. 2008. Direct interactions between metal nanoparticles and support: STM studies of Pd on TiO2(110). Applied Surface Science 254 (14) , pp. 4225-4229. 10.1016/j.apsusc.2008.01.014

Bowker, Michael.

, Holroyd, Richard, House, Matthew Peter, Bracey, R., Bamroongwongdee, Chanut, Shannon, Mervyn and Carley, Albert Frederick 2008. The selective oxidation of methanol on iron molybdate catalysts. Topics in Catalysis 48 (1-4) , pp. 158-165. 10.1007/s11244-008-9058-3

Bowker, Michael

2008. Automotive catalysis studied by surface science. Chemical Society Reviews 37 (10) , pp. 2204-2211. 10.1039/b719206c

Bradshaw, B., Evans, P., Fletcher, J., Lee, A. T. L., Mwashimba, P. G., Oehlrich, D., Thomas, E. J., Davies, R. H., Allen, B. C. P., Broadley, Kenneth John

, Hamrouni, A. and Escargueil, C. 2008. Synthesis of 5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-ones: selective antagonists of muscarinic (M-3) receptors. Organic & Biomolecular Chemistry 6 (12) , pp. 2138-2157. 10.1039/b801206g

Broomsgrove, Alexander E. J., Addy, David A., Bresner, Christopher, Fallis, Ian Andrew

, Thompson, Amber L. and Aldridge, Simon 2008. AND/NOT sensing of fluoride and cyanide ions by ferrocene-derivatised Lewis acids. Chemistry: A European Journal 14 (25) , pp. 7525-7529. 10.1002/chem.200801381

Browne, Danielle Michelle 2008. Novel selenium catalysis. PhD Thesis, Cardiff University.

Browne, Danielle Michelle, Niyomura, Osamu and Wirth, Thomas

2008. Catalytic addition-elimination reactions towards butenolides. Phosphorus Sulfur and Silicon and the Related Elements 183 (4) , pp. 1026-1035. 10.1080/10426500801901053

Buckley, Joanna J., Gai, Pratibha L., Lee, Adam Fraser, Olivi, Luca and Wilson, Karen 2008. Silver carbonate nanoparticles stabilised over alumina nanoneedles exhibiting potent antibacterial properties. Chemical Communications (34) , pp. 4013-4015. 10.1039/b809086f

Budd, P. M., McKeown, Neil B., Ghanem, B. S., Msayib, Kadhum Jawad, Fritsch, D., Starannikova, L., Belov, N., Sanfirova, O., Yampolskii, Y. and Shantarovich, V. 2008. Gas permeation parameters and other physicochemical properties of a polymer of intrinsic microporosity: Polybenzodioxane PIM-1. Journal of Membrane Science 325 (2) , pp. 851-860. 10.1016/j.memsci.2008.09.010

Burgess, Catherine Elizabeth, Pearson, Paul Nicholas

, Lear, Caroline Helen

, Morgans, Hugh E. G., Handley, Luke, Pancost, Richard D. and Schouten, Stefan 2008. Middle Eocene climate cyclicity in the southern Pacific: implications for global ice volume. Geology 36 (8) , pp. 651-654. 10.1130/G24762A.1

Butters, Michael, Beetstra, Dirk Johannes, Elliott, Mark Christopher

, Hill-Cousins, Joseph Thomas and Kariuki, Benson

2008. Directed epoxidation of cyclohexa-1,4-dienes-stereoselective formation of up to six contiguous stereogenic centres. Organic & Biomolecular Chemistry 6 (23) , pp. 4426-4434. 10.1039/b814131m

Butters, Michael, Elliott, Mark Christopher

, Hill-Cousins, Joseph Thomas, Paine, James Stephen and Westwood, Alexander William J. 2008. An improved protocol for the Prins desymmetrization of cyclohexa-1,4-dienes. Tetrahedron Letters 49 (28) , pp. 4446-4448. 10.1016/j.tetlet.2008.05.022

Buurma, Niklaas Jan

and Haq, Ihtshamul 2008. Calorimetric and spectroscopic studies of Hoechst 33258: self-association and binding to non-cognate DNA. Journal of Molecular Biology 381 (3) , pp. 607-621. 10.1016/j.jmb.2008.05.073

Campelo, Juan M., Lee, Adam Fraser, Luque, Rafael, Luna, Diego, Marinas, Jose M. and Romero, Antonio A. 2008. Preparation of highly active and dispersed platinum nanoparticles on mesoporous Al-MCM-48 and their activity in the hydroisomerisation of n-octane. Chemistry - A European Journal 14 (19) , pp. 5988-5995. 10.1002/chem.200800182

Cargnoni, F., Kus, T., Mella, Massimo and Bartlett, R. J. 2008. Ground state potential energy surfaces and bound states of M-He dimers (M=Cu,Ag,Au): A theoretical investigation. Journal of Chemical Physics 129 (20) 10.1063/1.3020706

Cariou, C. A. M., Kariuki, Benson

and Snaith, J. S. 2008. Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations. Organic and Biomolecular Chemistry 6 (18) , pp. 3337-3348. 10.1039/b808644c

Carley, Albert Frederick, Nevitt, Paul and Roussel, Paul 2008. The interaction of uranium metal with nitrogen oxides: The formation of an oxynitride surface layer. Journal of Alloys and Compounds 448 (1-2) , pp. 355-362. 10.1016/j.jallcom.2007.05.028

Carta, Mariolino

2008. Novel monomers for polymers of intrinsic microporosity (PIMs). PhD Thesis, Cardiff University.

Carta, Mariolino

, Msayib, Kadhum Jawad, Budd, P. M. and McKeown, Neil B. 2008. Novel spirobisindanes for use as precursors to polymers of intrinsic microporosity. Organic Letters 10 (13) , pp. 2641-2643. 10.1021/ol800573m

Casadesus, Meritxell, Coogan, Michael Peter, Davies, E. and Ooi, Liling 2008. Stereochemical studies of cobalt ethylenediamine complexes and their tetrathionate salts: Interactions between complex configuration and tetrathionate conformation. Inorganica Chimica Acta 361 (1) , pp. 63-78. 10.1016/j.ica.2007.06.033

Casini, Angela

, Gabbiani, Chiara, Sorrentino, Francesca, Rigobello, Maria Pia, Bindoli, Alberto, Geldbach, Tifimann J., Marrone, Alessandro, Re, Nazzareno, Hartinger, Christian G., Dyson, Paul J. and Messori, Luigi 2008. Emerging protein targets for anticancer metallodrugs: inhibition of thioredoxin reductase and cathepsin B by antitumor ruthenium (II)-arene compounds. Journal of Medicinal Chemistry 51 (21) , pp. 6773-6781. 10.1021/jm8006678

Casini, Angela

, Guerri, Annalisa, Gabbiani, Chiara and Messori, Luigi 2008. Biophysical characterisation of adducts formed between anticancer metallodrugs and selected proteins: new insights from X-ray diffraction and mass spectrometry studies. Journal of Inorganic Biochemistry 102 (5-6) , pp. 995-1006. 10.1016/j.jinorgbio.2007.12.022

Cavell, Kingsley John 2008. N-Heterocyclic carbenes/imidazolium salts as substrates in catalysis: the catalytic 2-substitution and annulation of heterocyclic compounds. Dalton Transactions (47) , pp. 6676-6685. 10.1039/b811449h

Chan, J., Huang, Z., Watt, I., Kille, Peter

and Stillman, M. 2008. Metallobiological Necklaces: Mass Spectrometric and Molecular Modeling Study of Metallation in Concatenated Domains of Metallothionein. Chemistry - A European Journal 14 (25) , pp. 7579-7593. 10.1002/chem.200800787

Chapaneri, Krishna 2008. One-pot methodology for the synthesis of polysubstituted pyridines and terpyridines. PhD Thesis, Cardiff University.

Chen, Lu S., Mantovani, Simone M., Gonzaga De Oliveira, Luciana, Duarte, Marta C.T. and Marsaioli, Anita J. 2008. 1,2-Octanediol deracemization by stereoinversion using whole cells. Journal of Molecular Catalysis B: Enzymatic 54 (1-2) , pp. 50-54. 10.1016/j.molcatb.2007.11.022

Chiellini, Chiara, Casini, Angela

, Cochet, Olivia, Gabbiani, Chiara, Ailhaud, Gerard, Dani, Christian, Messori, Luigi and Amri, Ez-Zoubir 2008. The influence of auranofin, a clinically established antiarthritic gold drug, on bone metabolism: analysis of its effects on human multipotent adipose-derived stem cells, taken as a model. Chemistry & Biodiversity 5 (8) , pp. 1513-1520. 10.1002/cbdv.200890140

Cole, Kieran John 2008. Copper manganese based mixed oxides for ambient temperature co-oxidation and higher temperature oxidation reactions. PhD Thesis, Cardiff University.

Conte, Marco, Carley, Albert Frederick, Attard, Gary Anthony, Herzing, Andrew A., Kiely, Christopher John

2008. Hydrochlorination of acetylene using supported bimetallic Au-based catalysts. Journal of Catalysis 257 (1) , pp. 190-198. 10.1016/j.jcat.2008.04.024

Conte, Marco, Carley, Albert Frederick and Hutchings, Graham John

2008. Reactivation of a carbon-supported gold catalyst for the hydrochlorination of acetylene. Catalysis Letters 124 (3-4) , pp. 165-167. 10.1007/s10562-008-9583-5

Coogan, Michael Peter. and Wilkins, D. S. 2008. Dicobaltbisnorbornadienetetracarbonyl [Co2(nbd) 2(CO)4] reacts with oxygen-containing alkynes and gives crossover products in the presence of other alkenes. Journal of Chemical Research (9) , pp. 516-519.

Coombs, Natalie D. 2008. Synthesis of low-coordinate transition metal complexes of the heavier group 13 elements. PhD Thesis, Cardiff University.

Coombs, N. D., Vidovic, D., Day, J. K., Thompson, A. L., Le Pevelen, D. D., Stasch, Andreas

, Clegg, W., Russo, L., Male, L., Hursthouse, M. B., Willock, David James

and Aldridge, S. 2008. Cationic Terminal Gallylene Complexes by Halide Abstraction: Coordination Chemistry of a Valence Isoelectronic Analogue of CO and N-2. Journal of the American Chemical Society 130 (47) , pp. 16111-16124. 10.1021/ja806655f

Coombs, Natalie D., Clegg, William, Thompson, Amber L., Willock, David James

and Aldridge, Simon 2008. A group 13/group 17 analogue of CO and N2: coordinative trapping of the gal molecule. Journal of the American Chemical Society 130 (16) , pp. 5449-5451. 10.1021/ja800876k

Copley, R. C. B., Barnett, S. A., Karamertzanis, P. G., Harris, Kenneth David Maclean

, Xu, Mingcan, Nickels, E. A., Lancaster, R. W. and Price, S. L. 2008. Predictable disorder versus polymorphism in the rationalization of structural diversity: A multidisciplinary study of eniluracil. Crystal Growth & Design 8 (9) , pp. 3474-3481. 10.1021/cg800517h

Coquet, R., Howard, K. and Willock, David James

2008. Theory and simulation in heterogeneous gold catalysis. Chemical Society Reviews 37 (9) , pp. 2046-2076. 10.1039/b707385m

Cote, Marie 2008. Solubility and phase behaviour of selected pharmaceutical excipients in 2h, 3h-perfluoropentane. PhD Thesis, Cardiff University.

Cote, M., Rogueda, P. G. A. and Griffiths, Peter Charles 2008. Effect of molecular weight and end-group nature on the solubility of ethylene oxide oligomers in 2H, 3H-decafluoropentane and its fully fluorinated analogue, perfluoropentane. Journal of Pharmacy and Pharmacology 60 (5) , pp. 593-599. 10.1211/jpp.60.5.0004

Cote, M., Hughes, C. E., Austin, T. K., Rogueda, P. G. A., Pan, Z. G., Harris, Kenneth David Maclean

and Griffiths, Peter Charles 2008. Characterization of a polymorphic system exhibiting substantial variation of solubility in a fluorinated solvent. Journal of Physical Chemistry C 112 (37) , pp. 14570-14578. 10.1021/jp800848w

Crowther, Dean, Chowdhury, Masrur and Kariuki, Benson

2008. Layering in cinnamate structures: the role of cations and anion substituents. Journal of Molecular Structure 872 (1) , pp. 64-71. 10.1016/j.molstruc.2007.02.022

Daly, Stephen, Haddow, Mairi F., Orpen, A. Guy, Rolls, Giles T. A., Wass, Duncan F.

and Wingad, Richard L. 2008. Copper(I) diphosphine catalysts for C−N bond formation: Synthesis, structure, and ligand effects. Organometallics 27 (13) , pp. 3196-3202. 10.1021/om800139v

Davies, C. D., Elliott, Mark Christopher

, Hill-Cousins, J., Khan, M. U. A., Maqbool, T. and Wood, J. L. 2008. A concise diastereoselective approach to the left-hand side of batzelladine A. Synlett (13) , pp. 2028-2032. 10.1055/s-2008-1077969

Day, Joanna 2008. The synthesis and anion coordination chemistry of novel mono- and multi-functional borylmetallocenes. PhD Thesis, Cardiff University.

Day, Joanna K., Bresner, Christopher, Coombs, Natalie D., Fallis, Ian Andrew

, Ooi, Liling and Aldridge, Simon 2008. Colorimetric fluoride ion sensing by polyborylated ferrocenes: structural influences on thermodynamics and kinetics. Inorganic Chemistry 47 (3) , pp. 793-804. 10.1021/ic701494p

Delaney, Patrick M., Browne, Duncan L.

, Adams, Harry, Plant, Andrew and Harrity, Joseph P.A. 2008. A 2-pyrone cycloaddition route to functionalised aromatic boronic esters. Tetrahedron 64 (5) , pp. 866-873. 10.1016/j.tet.2007.08.118

Desmedt, A., Kitchin, S. J., Harris, Kenneth David Maclean

, Guillaume, F., Tykwinski, R. R., Xu, Mingcam and Gonzalez, M. A. 2008. Dynamic properties of solid ammonium cyanate. Journal of Physical Chemistry C 112 (40) , pp. 15870-15879. 10.1021/jp8042889

Devi, R. N., Meunier, F. C., Le Goaziou, T., Hardacre, C., Collier, P. J., Golunski, Stanislaw E.

, Gladden, L. F. and Mantle, M. D. 2008. Modulating the Selectivity for CO and Butane Oxidation over Heterogeneous Catalysis through Amorphous Catalyst Coatings. Journal of Physical Chemistry C 112 (29) , pp. 10968-10975. 10.1021/jp801158d

Dingwall, Lee D., Corcoran, Charlotte M., Lee, Adam Fraser, Olivi, Luca, Lynam, Jason M. and Wilson, Karen 2008. A polyoxometallate-tethered Ru complex as a catalyst in solventless phenyl acetylene oligomerisation. Catalysis Communications 10 (1) , pp. 53-56. 10.1016/j.catcom.2008.07.036

Drago, Denise, Bettella, Mikol, Bolognin, Silvia, Cendron, Laura, Scancar, Janez, Milacic, Radmila, Ricchelli, Fernanda, Casini, Angela

, Messori, Luigi, Tognon, Giuseppe and Zatta, Paolo 2008. Potential pathogenic role of β-amyloid1-42-aluminum complex in Alzheimer's disease. The International Journal of Biochemistry and Cell Biology 40 (4) , pp. 731-746. 10.1016/j.biocel.2007.10.014

Dunford, D., Guyader, M., Jones, S., Knight, David William, Hursthouse, M. B. and Coles, S. J. 2008. On the highly stereoselective addition of lithio-acetylides to alpha-hydroxy-ketones. Tetrahedron Letters 49 (14) , pp. 2240-2242. 10.1016/j.tetlet.2008.02.032

Easun, Timothy

, Alsindi, Wassim Z., Towrie, Michael, Ronayne, Kate L., Sun, Xue-Zhong, Ward, Michael D. and George, Michael W. 2008. Photoinduced energy transfer in a conformationally flexible Re(I)/Ru(II) dyad probed by time-resolved infrared spectroscopy: Effects of conformation and spatial localization of excited states. Inorganic Chemistry 47 (12) , pp. 5071-5078. 10.1021/ic702005w

Edwards, W. R., Busse, K., Allemann, Rudolf Konrad

and Jones, Darran Dafydd

2008. Linking the functions of unrelated proteins using a novel directed evolution domain insertion method. Nucleic Acids Research 36 (13) 10.1093/nar/gkn363

Edwards, Jennifer Kelly

, Carley, Albert Frederick, Herzing, A. A., Kiely, Christopher John

2008. Direct synthesis of hydrogen peroxide from H-2 and O-2 using supported Au-Pd catalysts. Faraday Discussions 138 , pp. 225-239. 10.1039/b705915a

Edwards, Jennifer Kelly

2008. Palladium and Gold-Palladium Catalysts for the Direct Synthesis of Hydrogen Peroxide. Angewandte Chemie - International Edition 47 (48) , pp. 9192-9198. 10.1002/anie.200802818

Edwards, Jennifer Kelly

, Thomas, Adrian, Carley, Albert Frederick, Herzing, Andrew A., Kiely, Christopher John

2008. Au-Pd supported nanocrystals as catalysts for the direct synthesis of hydrogen peroxide from H2 and O2. Green Chemistry 10 (4) , pp. 388-394. 10.1039/b714553p

Edwin, Ntainjua N., Edwards, Jennifer Kelly

, Carley, Albert Frederick, Lopez-Sanchez, Josse Antonio, Moulijn, Jacob, Herzing, Andrew A., Kiely, Christopher J. and Hutchings, Graham John

2008. The role of the support in achieving high selectivity in the direct formation of hydrogen peroxide. Green Chemistry 10 (11) , pp. 1162-1169. 10.1039/b809881f

Elkhaseh, Salem Farag. 2008. Fundamental studies of enantioselective catalytic hydrogenation of ethyl pyruvate at supported platinum. PhD Thesis, Cardiff University.

Elliott, Mark Christopher

2008. Bicyclic 5-6 Systems: Four Heteroatoms 1:3. Jones, Raymond C. F., ed. Comprehensive Heterocyclic Chemistry III, Vol. 10. Amsterdam: Elsevier, pp. 493-509. (10.1016/B978-008044992-0.00909-3)

Elliott, Mark Christopher

, El Sayed, Nahed N. E. and Paine, James S. 2008. Concise synthesis of the tricyclic core of lycoposerramine S. Organic & Biomolecular Chemistry 6 (14) , pp. 2611-2618. 10.1039/b804664f

Evans, A. B., Flugge, S., Jones, S., Knight, David William and Tan, W. F. 2008. A new synthesis of the F-5 furan fatty acid and a first synthesis of the F-6 furan fatty acid. Arkivoc 2008 (10) , pp. 95-102. 10.3998/ark.5550190.0009.a08

Evans, Gareth James, Gibbs, Timothy John, Jenkins, Robert Leyshon, Coles, Simon J., Hursthouse, Michale B., Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2008. Kinetics of iminium ion catalysis. Angewandte Chemie. International Edition 47 (15) , pp. 2820-2823. 10.1002/anie.200705539

Fang, L., Vidal-Iglesias, F. J., Huxter, Sharon Elizabeth and Attard, Gary Anthony 2008. A study of the growth and CO electrooxidation behaviour of PtRh alloys on Pt{100} single crystals. Journal of Electroanalytical Chemistry 622 (1) , pp. 73-78. 10.1016/j.jelechem.2008.05.003

Felton, Cara E., Harding, Lindsay P., Jones, Jennifer Elizabeth, Kariuki, Benson

and Rice, Craig R. 2008. A wavelength and lifetime responsive cryptate-containing fluorescent probe for zinc ions in water. Chemical Communications 2008 (46) , pp. 6185-6187. 10.1039/b813775g

Fernandez Moreira, Vanesa

2008. Design, synthesis and application of luminescent rhenium complexes in cell imaging. PhD Thesis, Cardiff University.

Fox, Elise B., Lee, Adam Fraser, Wilson, Karen and Song, Chunshan 2008. In-situ XPS study on the reducibility of Pd-promoted Cu/CeO2 catalysts for the oxygen-assisted water-gas-shift reaction. Topics in Catalysis 49 (1-2) , pp. 89-96. 10.1007/s11244-008-9063-6

Fütterer, K., Ravelli, R. B. G., White, S. A., Nicoll, A. J. and Allemann, Rudolf Konrad

2008. Differential specific radiation damage in the CuII-bound and PdII-bound forms of an α-helical foldamer: A case study of crystallographic phasing by RIP and SAD. Acta Crystallographica Section D: Biological Crystallography 64 (3) , pp. 264-272. 10.1107/S0907444907065948

Gabbiani, Chiara, Casini, Angela

, Mastrobuoni, Guido, Kirshenbaum, Noam, Moshel, Ofra, Pieraccini, Giuseppe, Moneti, Gloriano, Messori, Luigi and Gibson, Dan 2008. Peculiar mechanistic and structural features of the carboplatin-cytochrome c system revealed by ESI-MS analysis. Journal of Biological Inorganic Chemistry 13 (5) , pp. 755-764. 10.1007/s00775-008-0361-z

Gabbiani, Chiara, Casini, Angela

, Messori, Luigi, Guerri, Annalisa, Cinellu, Maria Agostina, Mlnghetti, Giovanni, Corsini, Maddalena, Rosani, Claudia, Zanello, Piero and Arca, Massimiliano 2008. Structural characterization, solution studies, and DFT calculations on a series of binuclear gold(III) oxo complexes: relationships to biological properties. Inorganic Chemistry 47 (7) , pp. 2368-2379. 10.1021/ic701254s

Gaber, Hatem 2008. 5-carbethoxy- and 5-acetylpyrazoles as precursors for the synthesis of some novel 1-p-chlorophenylpyrazole-3-carbonitriles. Organic Preparations and Procedures International 40 (4) , pp. 365-378. 10.1080/00304940809458096

Gaber, Hatem, Elsawy, K. M. and Sherif, S. M. 2008. New heterocyclic syntheses from pyridinethiones: An efficient route for the syntheses of some novel azo derivatives of thieno[2,3-b] pyridine as potential anti-bacterial and anti-cancer agents. Afinidad 65 (533) , pp. 61-72.

Ghanem, B. S., McKeown, Neil B., Budd, P. M. and Fritsch, D. 2008. Polymers of intrinsic microporosity derived from bis(phenazyl) monomers. Macromolecules 41 (5) , pp. 1640-1646. 10.1021/ma071846r

Ghanem, Bader, McKeown, Neil B., Budd, Peter M., Selbie, James D. and Fritsch, Detlev 2008. High-performance membranes from polyimides with intrinsic microporosity. Advanced Materials 20 (14) , 2766 -2771. 10.1002/adma.200702400

Gibbs, Timothy John 2008. Exploring iminium ion catalysis. PhD Thesis, Cardiff University.

Gkionis, Konstantinos, Platts, James Alexis

and Hill, John Grant 2008. Insights into DNA binding of ruthenium arene complexes: Role of hydrogen bonding and π stacking. Inorganic Chemistry 47 (9) , pp. 3893-3902. 10.1021/ic702459h

Goh, C. K., Taufiq-Yap, Y. H., Hutchings, Graham John

2008. Influence of Bi-Fe additive on properties of vanadium phosphate catalysts for n-butane oxidation to maleic anhydride. Catalysis Today 131 (1-4) , pp. 408-412. 10.1016/j.cattod.2007.10.059

Gonzaga De Oliveira, Luciana, Dias, Luiz C. and Rosso, Giovanni B. 2008. Sínteses totais das crocacinas A, C e D: novos antibióticos isolados de Chondromyces crocatus E Chondromyces pediculatuspediculatus Total synthesis of crocacins A, C and D: new antibiotics isolated from Chondromyces crocatus and Chondromyces pediculatus. Química Nova 31 (4) , pp. 854-871. 10.1590/S0100-40422008000400027

Green, Shaun Peter 2008. Synthetic and theoretical investigations involving compounds containing low oxidation state main group elements. PhD Thesis, Cardiff University.

Green, Shaun Peter, Jones, Cameron and Stasch, Andreas

2008. Stable Adducts of a Dimeric Magnesium(I) Compound. Angewandte Chemie-International Edition 47 (47) , pp. 9079-9083. 10.1002/anie.200803960

Green, Shaun Peter, Jones, Cameron and Stasch, Andreas

2008. Synthesis and structural characterisation of a soluble, metastable indium(I) halide complex, [InBr(tmeda)]. Chemical Communications (47) , pp. 6285-6287. 10.1039/b814658f

Griffiths, Peter Charles, Alexander, C., Nilmini, R., Pennadam, S. S., King, S. M. and Heenan, R. K. 2008. Physicochemical characterization of thermoresponsive Poly(N-isopropylacrylamide)-poly(ethylene imine) graft copolymers. Biomacromolecules 9 (4) , pp. 1170-1178. 10.1021/bm701096p

Griffiths, Peter Charles, Cote, M. and Rogueda, P. G. A. 2008. Elaborating the phase behaviour of ethylene oxide oligomers and analogues in 2H, 3H-perfluoropentane. International Journal of Pharmaceutics 362 (1-2) , pp. 147-152. 10.1016/j.ijpharm.2008.06.006

Griffiths, Peter Charles, Fallis, Ian Andrew

, Tatchell, Thomas, Bushby, Lisa and Beeby, Andrew 2008. Aqueous solutions of transition metal containing micelles. Advances in Colloid and Interface Science 144 (1-2) , pp. 13-23. 10.1016/j.cis.2008.08.001

Guillaume, F., Huang, S., Harris, Kenneth David Maclean

, Couzi, M. and Talaga, D. 2008. Optical phonons in millerite (NiS) from single-crystal polarized Raman spectroscopy. Journal of Raman Spectroscopy 39 (10) , pp. 1419-1422. 10.1002/jrs.2014

Guo, Jian-Nan, Zhang, Bo-Chao, Jin, Yi

, Tang, Guo and Zhao, Yu-Fen 2008. Benzoylmethyl pyridine-4-carboxylate. Acta Crystallographica Section E Crystallographic Communications 64 (6) , o1104. 10.1107/S1600536808014086

Guo, Fang

, Marti-Rujas, J., Pan, Z., Hughes, C. E. and Harris, Kenneth David Maclean

2008. Direct Structural Understanding of a Topochemical Solid State Photopolymerization Reaction. Journal of Physical Chemistry C 112 (50) , pp. 19793-19796. 10.1021/jp808254f

Hakansson, P. and Mella, Massimo 2008. Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei. Journal of Chemical Physics 129 (12) 10.1063/1.2982930

Hamad, B., Alshebani, A., Pera-Titus, M., Wang, S., Torres, M., Albela, B., Bonneviot, L., Miachon, S. and Dalmon, J.-A. 2008. Synthesis and characterization of nanocomposite MCM-41 (‘LUS’) ceramic membranes. Microporous and Mesoporous Materials 115 (1-2) , pp. 40-50. 10.1016/j.micromeso.2007.11.047

Hamad, S., Hughes, Colan Evan, Catlow, C. R. A. and Harris, Kenneth David Maclean

2008. Clustering of glycine molecules in aqueous solution studied by molecular dynamics simulation. Journal of Physical Chemistry B 112 (24) , pp. 7280-7288. 10.1021/jp711271z

Handley, Luke, Pearson, Paul Nicholas

, McMillan, Ian Kenneth and Pancost, Richard D. 2008. Large terrestrial and marine carbon and hydrogen isotope excursions in a new Paleocene/Eocene boundary section from Tanzania. Earth and Planetary Science Letters 275 (1-2) , pp. 17-25. 10.1016/j.epsl.2008.07.030

Hardwicke, Joseph, Ferguson, Elaine Lesley

, Moseley, Ryan

, Stephens, Philip

, Thomas, David William

and Duncan, Ruth 2008. Dextrin-rhEGF conjugates as bioresponsive nanomedicines for wound repair. Journal of Controlled Release 130 (3) , pp. 275-283. 10.1016/j.jconrel.2008.07.023

Harris, Kenneth David Maclean

2008. Aperiodicity in organic materials. Harris, Kenneth David Maclean and Edwards, Peter P., eds. Turning points in solid-state, materials and surface science, Cambridge: Royal Society of Chemistry, pp. 302-333. (10.1039/9781847558183-00302)

Hartinger, Christian G., Casini, Angela

, Duhot, Celine, Tsybin, Yury O., Messori, Luigi and Dyson, Paul J. 2008. Stability of an organometallic ruthenium-ubiquitin adduct in the presence of glutathione: relevance to antitumour activity. Journal of Inorganic Biochemistry 102 (12) , pp. 2136-2141. 10.1016/j.jinorgbio.2008.08.002

Hawkes, K. J., Cavell, Kingsley John and Yates, B. F. 2008. Rhodium-catalyzed C-C coupling reactions: Mechanistic considerations. Organometallics 27 (18) , pp. 4758-4771. 10.1021/om800472v

Hay, S., Pang, J. Y., Monaghan, P. J., Wang, X., Evans, R. M., Sutcliffe, M. J., Allemann, Rudolf Konrad

and Scrutton, N. S. 2008. Secondary kinetic isotope effects as probes of environmentally-coupled enzymatic hydrogen tunneling reactions. ChemPhysChem 9 (11) , pp. 1536-1539. 10.1002/cphc.200800291

Hayes, S. J., Knight, David William, O'Halloran, M. and Pickering, S. R. 2008. A regiospecific approach to N-alkylpyrazoles and the derived N-oxides using 5-endo-dig cyclisations of alkynyl nitrosamines. Synlett (14) , pp. 2188-2190. 10.1055/s-2008-1078029

Herzing, A. A., Carley, Albert Frederick., Edwards, Jennifer Kelly

and Kiely, Christopher John

2008. Microstructural development and catalytic performance of Au-Pd nanoparticles on Al2O3 supports: The effect of heat treatment temperature and atmosphere. Chemistry of Materials 20 (4) , pp. 1492-1501. 10.1021/cm702762d

Herzing, A., Anderson, I. M., Edwards, Jennifer Kelly

, Li, X., Zhang, W. and Kiely, Christopher John

2008. Elemental mapping of nanoscale structures in the aberration-corrected analytical electron microscope. Microscopy and Microanalysis 14 (S) , pp. 1368-1369. 10.1017/S1431927608086674

Herzing, Andrew A., Kiely, Christopher John

, Carley, Albert Frederick, Landon, Philip and Hutchings, Graham John

2008. Identification of active gold nanoclusters on iron oxide supports for CO oxidation. Science 321 (5894) , pp. 1331-1335. 10.1126/science.1159639

Herzing, Andrew A., Watanabe, Masashi, Edwards, Jennifer Kelly

, Conte, Marco, Tang, Zi-Rong, Hutchings, Graham John

and Kiely, Christopher John

2008. Energy dispersive X-ray spectroscopy of bimetallic nanoparticles in an aberration corrected scanning transmission electron microscope. Faraday Discussions 138 , pp. 337-351. 10.1039/b706293c

Heuchel, M., Fritsch, D., Budd, P. M., McKeown, Neil B. and Hofmann, D. 2008. Atomistic packing model and free volume distribution of a polymer with intrinsic microporosity (PIM-1). Journal of Membrane Science 318 (1-2) , pp. 84-99. 10.1016/j.memsci.2008.02.038

Hill, John Grant, Cooper, D. L. and Karadakov, P. B. 2008. Spin-Coupled description of aromaticity in the retro Diels-Alder reaction of norbornene. Journal of Physical Chemistry A 112 (50) , pp. 12823-12828. 10.1021/jp800969k

Hill, John Grant and Platts, James Alexis

2008. Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn. The Journal of Chemical Physics 128 (4) , 044104. 10.1063/1.2826348

Hill, John Grant and Platts, James Alexis

2008. Calculating interaction energies in transition metal complexes with local electron correlation methods. Journal of Chemical Physics 129 (13) 10.1063/1.2982790

Hill, John Grant and Platts, James Alexis

2008. Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Moller-Plesset perturbation theory. Physical Chemistry Chemical Physics 10 (19) , pp. 2785-2791. 10.1039/b718691f

Hirst, Natasha Clare 2008. Solvency effects on polymer-surfactant interactions. PhD Thesis, Cardiff University.

Ho, Kingsley K.C., Lee, Adam Fraser, Lamoriniere, Steven and Bismarck, Alexander 2008. Continuous atmospheric plasma fluorination of carbon fibres. Composites Part A: Applied Science and Manufacturing 39 (2) , pp. 364-373. 10.1016/j.compositesa.2007.10.008

Honsa, E., Fricke, Thomas, Stephens, A. J., Ko, D., Kong, F., Gilbert, G. L., Huygens, F. and Giffard, P. M. 2008. Assignment of Streptococcus agalactiae isolates to clonal complexes using a small set of single nucleotide polymorphisms. Bmc Microbiology 8 , 140. 10.1186/1471-2180-8-140

House, Matthew Peter, Carley, Albert Frederick, Echeverria-Valda, Ricardo Bruce and Bowker, Michael

2008. Effect of Varying the Cation Ratio within Iron Molybdate Catalysts for the Selective Oxidation of Methanol. Journal of Physical Chemistry C 112 (11) , pp. 4333-4341. 10.1021/jp711251b

House, Matthew Peter, Shannon, M. D. and Bowker, Michael

2008. Surface segregation in iron molybdate catalysts. Catalysis Letters 122 (3-4) , pp. 210-213. 10.1007/s10562-008-9467-8

Huang, Hongmei, Young, Nicola, Williams, B. Peter, Taylor, Stuart H.

2008. Purification of chemical feedstocks by the removal of aerial carbonyl sulfide by hydrolysis using rare earth promoted alumina catalysts. Green Chemistry 10 (5) , pp. 571-577. 10.1039/b717031a

Hughes, Colan Evan and Harris, Kenneth David Maclean

2008. A technique for in situ monitoring of crystallization from solution by solid-state C-13 CPMAS NMR spectroscopy. Journal of Physical Chemistry A 112 (30) , pp. 6808-6810. 10.1021/jp805182v

Hutchings, Graham John

2008. Nanocrystalline gold and gold palladium alloy catalysts for chemical synthesis. Chemical Communications (10) , pp. 1148-1164. 10.1039/b712305c

Hutchings, Graham John

2008. Nanocrystalline gold and gold-palladium alloy oxidation catalysts: a personal reflection on the nature of the active sites. Dalton Transactions (41) , pp. 5523-5536. 10.1039/b804604m

Hutchings, Graham John

2008. Reactions of alkynes using heterogeneous and homogeneous cationic gold catalysts. Topics in Catalysis 48 (1-4) , pp. 55-59. 10.1007/s11244-008-9048-5

Hutchings, Graham John

2008. Supported gold and gold palladium catalysts for selective chemical synthesis. Catalysis Today 138 (1-2) , pp. 9-14. 10.1016/j.cattod.2008.04.029

Hutchings, Graham John

2008. CATL 16-Green chemistry using gold catalysis [Abstract]. Abstracts of Papers of the American Chemical Society 235 , p. 16.

Hutchings, Graham John

2008. FUEL 89-Green catalysis with alternative feedstocks. Abstracts of Papers of the American Chemical Society 235 , 89-FUEL.

Hutchings, Graham John

2008. I&EC 1-Green catalysis with alternative feedstocks. Abstracts of Papers of the American Chemical Society 235 , 1-IEC.

Hutchings, Graham John

2008. PETR 38-Methanol conversion using composite catalysts. Abstracts of Papers of the American Chemical Society 235 , 38-PETR.

Hutchings, Graham John

, Brust, M. and Schmidbaur, H. 2008. Gold - an introductory perspective. Chemical Society Reviews 37 (9) , pp. 1759-1765. 10.1039/b810747p

Hutchings, Graham John

, Brust, Mathias and Schmidbaur, Hubert 2008. Instant insight: The wonder of gold. Highlights in Chemical Technology 2008 (9)

Iglesias Alonso, Manuel 2008. Expanded ring carbenes - synthesis, coordination and catalysis. PhD Thesis, Cardiff University.

Iglesias, Manuel Alonso, Beetstra, Dirk Johannes, Knight, James Christopher, Ooi, Liling, Stasch, Andreas

, Coles, Simon J., Male, Louise, Hursthouse, Michael B., Cavell, Kingsley John, Dervisi, Athanasia

2008. Novel expanded ring N-heterocyclic carbenes: free carbenes, silver complexes, and structures. Organometallics 27 (13) , pp. 3279-3289. 10.1021/om800179t

Jackson, S. K., Abate, W., Parton, Joan, Jones, S. and Harwood, John L.

2008. Lysophospholipid metabolism facilitates Toll-like receptor 4 membrane translocation to regulate the inflammatory response. Journal of Leukocyte Biology 84 (1) , pp. 86-92. 10.1189/jlb.0907601

Janeiro-Barral, P. E., Mella, Massimo and Curotto, E. 2008. Structure and energetics of ammonia clusters (NH3)n (n=3-20) investigated using a rigid-polarizable model derived from ab initio calculations. Journal of Physical Chemistry A 112 (13) , pp. 2888-2898. 10.1021/jp7106796

Jervis, Peter J., Kariuki, Benson

and Cox, Liam R. 2008. Stereoselective synthesis of 3,4-disubstituted tetrahydrofurans and 2,3,4-trisubstituted tetrahydrofurans using an intramolecular allylation strategy employing allylsilanes. Tetrahedron Letters 49 (16) , pp. 2514-2518. 10.1016/j.tetlet.2008.02.088

Jin, Yi

, Guo, Jian-Nan, Lin, Kan, Tang, Guo and Zhao, Yu-Fen 2008. Benzoylmethyl 4-chlorobenzoate. Acta Crystallographica Section E Crystallographic Communications 64 (2) , o507. 10.1107/S1600536807066469

Jin, Guojie, Jones, Catherine Amy, Junk, P. C., Stasch, Andreas

and Woodul, W. D. 2008. Group 13 metal(I) and (II) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere. New Journal of Chemistry 32 (5) , pp. 835-842. 10.1039/b718799h

Jing, S., Morley, Christopher Peter, Webster, C. A. and Di Vaira, M. 2008. Synthesis and characterisation of Group 6 metal carbonyl complexes of bis(ferrocenylchalcogeno) propanes: X-ray crystal structures of [Cr(CO)(4){FcTe(CH2)(3)TeFc}], [Mo(CO)(4){FcE(CH2)(3)E ' Fc}] (E=E '=Se; E=Se, E '=Te; E=E '=Te), and [W(CO)(4){FcTe(CH2)(3)TeFc}] (Fc=[Fe(eta(5)-C5H5)(eta(5)-C5H4)]). Journal of Organometallic Chemistry 693 (13) , pp. 2310-2316. 10.1016/j.jorganchem.2008.04.004

Jing, S., Morley, Christopher Peter, Webster, C. A. and Di Vaira, M. 2008. Synthesis, Characterisation, Complexation and Electrochemistry of Linear Tridentate FcE(CH2)(3)E '(CH2)(3)EFc (E, E ' = Se or Te) Ligands: X-ray Crystal Structures of FcSe(CH2)(3)Se(CH2)(3)SeFc and [PtCl{FcSe(CH2)(3)Se(CH2)(3)SeFc}]PF6 {Fc = [Fe(eta(5)-C5H5)(eta(5)-C5H4)]}. European Journal of Inorganic Chemistry (32) , pp. 5067-5075. 10.1002/ejic.200800316

Jones, K. L., Porzelle, Achim, Hall, A., Woodrow, M. D. and Tomkinson, Nicholas Charles Oliver 2008. Copper-catalyzed coupling of hydroxylamines with aryl iodides. Organic Letters 10 (5) , pp. 797-800. 10.1021/ol7029273

Jones, Cameron, Mills, D. P., Rose, R. P. and Stasch, Andreas

2008. Synthesis and structural characterisation of group 10 metal(II) gallyl complexes: analogies with platinum diboration catalysts? Dalton Transactions (33) , pp. 4395-4408. 10.1039/b715895e

Jones, Cameron, Mills, D. P. and Stasch, Andreas

2008. Flexible coordination of bulky amidinates and guanidinates towards rhodium(I): conversion of kinetic to thermodymanic isomers. Dalton Transactions (35) , pp. 4799-4804. 10.1039/b806542j

Jones, Cameron, Rose, R. P. and Stasch, A.

2008. Synthesis, characterisation and reactivity of germanium(II) amidinate and guanidinate complexes. Dalton Transactions (21) , pp. 2871-2878. 10.1039/b801168k

Jones, Cameron, Schulten, Christian and Stasch, Andreas

2008. Synthesis, characterization and reactivity of a eta(1)-Methylphosphaalkyne complex, [RuH(dppe)(2)(eta(1)-P CMe)][CF3SO3]. European Journal of Inorganic Chemistry (10) , pp. 1555-1558. 10.1002/ejic.200701330

Jones, Cameron, Schulten, Christian and Stasch, Andreas

2008. Unusual reactivity of methylphosphaalkyne (P CMe) toward digermenes and distannenes: Stepwise formations of bridged 2,3,5,6-tetraphospha-1,4-dimethylidenecyclohexanes. Inorganic Chemistry 47 (4) , pp. 1273-1278. 10.1021/ic700926u

Jones, Cameron, Taylor, Stuart H.

, Burrows, A., Crudace, M. J., Kiely, Christopher John

2008. Cobalt promoted copper manganese oxide catalysts for ambient temperature carbon monoxide oxidation. Chemical Communications 2008 (14) , pp. 1707-1709. 10.1039/b800052m

Kabalan, L., Matar, S. F., Desplanches, C., Létard, J. F. and Zakhour, M. 2008. Molecular and all-solid DFT studies of the magnetic and chemical bonding properties within KM[Cr(CN)6] (M=V, Ni) complexes. Chemical Physics 352 (1-3) , pp. 85-91. 10.1016/j.chemphys.2008.05.014

Kabalan, Lara, Matar, Samir F., Zakhour, Mirvat and Létarda, Jean François 2008. Ab initioMolecular and solid state studies of the feII spin cross-over system [Fe(btz)2(NCS)2] (btz = 2.2'-bis-4.5-dihydrothiazine). Zeitschrift für Naturforschung B 63 (2) , pp. 154-160. 10.1515/znb-2008-0207

Kelly, David Roy, Baker, S. C., King, D. S., de Silva, D. S., Lord, G. and Taylor, J. P. 2008. Studies of nitrile oxide cycloadditions, and the phenolic oxidative coupling of vanillin aldoxime by Geobacillus sp DDS012 from Italian rye grass silage. Organic & Biomolecular Chemistry 6 (4) , pp. 787-796. 10.1039/b716915a

Kettle, J., Coppo, P., Lalev, Georgi Maximov, Tattershall, C., Dimov, Stefan Simeonov and Turner, M. L. 2008. Development and validation of functional imprint material for the step and flash imprint lithography process. Microelectronic Engineering 85 (5-6) , pp. 850-852. 10.1016/j.mee.2007.12.070

Khan, Rehan, Fatima, Itrat, Ahmed, Nisar

and Malik, Abdul 2008. Caragin, a new isoflavone from Caragana conferta. Journal of Asian Natural Products Research 10 (9) , pp. 823-825. 10.1080/10286020802102394

Knab, N. J., Cragg, Barry Andrew, Borowski, C., Parkes, Ronald John, Pancost, R. and Jorgensen, B. B. 2008. Anaerobic oxidation of methane (AOM) in marine sediments from the Skagerrak (Denmark): I. Geochemical and microbiological analyses. Geochimica Et Cosmochimica Acta 72 (12) , pp. 2868-2879. 10.1016/j.gca.2008.03.016

Kneissl, Sabine, Loveridge, Edric Joel, Williams, Christopher, Crump, Matthew P. and Allemann, Rudolf Konrad

2008. Photocontrollable peptide-based switches target the anti-apoptotic protein Bcl-xL. ChemBioChem 9 (18) , pp. 3046-3054. 10.1002/cbic.200800502

Knowles, D. A., Mathews, C. J. and Tomkinson, Nicholas Charles Oliver 2008. Oxidation of Primary Amines to Ketones. Synlett (18) , pp. 2769-2772. 10.1055/s-0028-1083541

Koullourou, Thelma, Natrajan, Louise S., Bhavsar, Hiren, Pope, Simon J. A.

, Feng, Jianghua, Narvainen, Johanna, Shaw, Rachel, Scales, Emma, Kauppinen, Risto, Kenwright, Alan M. and Faulkner, Stephen 2008. Synthesis and spectroscopic properties of a prototype single molecule dual imaging agent comprising a heterobimetallic rhenium-gadolinium complex. Journal of the American Chemical Society 130 (7) , pp. 2178-2179. 10.1021/ja710859p

Kunicki-Goldfinger, Jerzy Jakub, Panczyk, E., Dierzanowski, P. and Walis, L. 2008. Trace element characterization of medieval and post-medieval glass objects by means of INAA and EPMA. Journal of Radioanalytical and Nuclear Chemistry 278 (2) , pp. 307-311. 10.1007/s10967-008-9507-2

Laidlaw, W. M., Denning, R. G., Murphy, Damien Martin

and Green, J. C. 2008. Solvent dependence of the g-anisotropy in the ESR of cyanide-bridged mixed-valence complexes. Dalton Transactions (44) , pp. 6257-6264. 10.1039/b810224d

Laimou, D., Mantzourani, Efthymia D.

, Matsoukas, M. T., Troganis, A. and Tselios, T. 2008. Molecular modeling of GnRH analogues in DMSO solution using nuclear magnetic resonance (NMR) and molecular dynamics (MD) [Abstract]. Journal of Peptide Science 14 (S1) , pp. 128-129. 10.1002/psc.1090

Leoni, Stefano

, Ramlau, Reiner, Meier, Katrin, Schmidt, Marcus and Schwarz, Ulrich 2008. Nanodomain fragmentation and local rearrangements in CdSe under pressure. Proceedings of the National Academy of Sciences of the United States of America 105 (50) , pp. 19612-19616. 10.1073/pnas.0805235105

Li, Zhonglai, Larsson, J. Andreas, Larsson, Peter, Ahuja, Rajeev, Tobin, Joseph M., O'Byrne, Justin, Morris, Michael A., Attard, Gary Anthony and Holmes, Justin D. 2008. Copper/molybdenum nanocomposite particles as catalysts for the growth of bamboo-structured carbon nanotubes. Journal of Physical Chemistry C 112 (32) , pp. 12201-12206. 10.1021/jp8023556

Li, Y., Pera-Titus, M., Xiong, G., Tang, W., Landrivon, E., Miachon, S. and Dalmon, J. -A. 2008. Nanocomposite MFI-alumina membranes via pore-plugging synthesis: genesis of the zeolite material. Journal of Membrane Science 325 (2) , pp. 973-981. 10.1016/j.memsci.2008.09.030

Lipka, M., Filipek, R. and Bochtler, Matthais

2008. Crystal structure and mechanism of the Staphylococcus cohnii virginiamycin B lyase (Vgb). Biochemistry 47 (14) , pp. 4257-4265. 10.1021/bi7015266

Litovitz, Aviva E., Keresztes, Ivan and Carpenter, Barry K.

2008. Evidence for nonstatistical dynamics in the Wolff rearrangement of a carbene. Journal of the American Chemical Society 130 (36) , pp. 12085-12094. 10.1021/ja803230a

Lopez-Sanchez, Jose Antonio, Dimitratos, Nikolaos

, Miedziak, Peter John, Ntainjua Ndifor, Edwin, Edwards, Jennifer Kelly

, Carley, Albert Frederick, Tiruvalam, Ramchandra., Kiely, Christopher John

2008. Au-Pd supported nanocrystals prepared by a sol immobilisation technique as catalysts for selective chemical synthesis. Physical Chemistry Chemical Physics 10 (14) , pp. 1921-1930. 10.1039/b719345a

Loveridge, Edric Joel, Evans, R. M. and Allemann, Rudolf Konrad

2008. Solvent Effects on Environmentally Coupled Hydrogen Tunnelling During Catalysis by Dihydrofolate Reductase from Thermotoga maritima. Chemistry-a European Journal 14 (34) , pp. 10782-10788. 10.1002/chem.200801804

Luan, T., Curotto, E. and Mella, Massimo 2008. Importance sampling for quantum Monte Carlo in manifolds: Addressing the time scale problem in simulations of molecular aggregates. Journal of Chemical Physics 128 (16) 10.1063/1.2898539

Mackintosh, H. J., Budd, P. M. and McKeown, Neil B. 2008. Catalysis by microporous phthalocyanine and porphyrin network polymers. Journal of Materials Chemistry 18 (5) , pp. 573-578. 10.1039/b715660j

MacLeod, C. S., Harvey, A. P., Lee, Adam Fraser and Wilson, Karen 2008. Evaluation of the activity and stability of alkali-doped metal oxide catalysts for application to an intensified method of biodiesel production. Chemical Engineering Journal 135 (1-2) , pp. 63-70.

Makhseed, S., Ibrahim, F., Samuel, J., Helliwell, M., Warren, J. E., Bezzu, Caterina Grazia and McKeown, Neil B. 2008. Clathrate formation from octaazaphthalocyanines possessing bulky phenoxyl substituents: A new cubic crystal containing solvent-filled, nanoscale voids. Chemistry - a European Journal 14 (16) , pp. 4810-4815. 10.1002/chem.200701980

Mamtora, J., Crosby, S.H., Newman, C.P., Clarkson, G.J. and Rourke, J.P.

2008. Platinum(IV) Complexes: C-H Activation at Low Temperatures. Organometallics 27 (21) , pp. 5559-5565. 10.1021/om800583c

Mantovani, Simone Moraes, Gonzaga De Oliveira, Luciana and Marsaioli, Anita Jocelyne 2008. Whole cell quick E for epoxide hydrolase screening using fluorescent probes. Journal of Molecular Catalysis B: Enzymatic 52-53 , pp. 173-177. 10.1016/j.molcatb.2007.12.013

Mark, L., Proctor, D. G., Blackbourn, D. J., Blom, A. M. and Spiller, Owen Bradley

2008. Separation of decay-accelerating and cofactor functional activities of Kaposi's sarcoma-associated herpesvirus complement control protein using monoclonal antibodies. Immunology 123 (2) , pp. 228-238. 10.1111/j.1365-2567.2007.02692.x

Maruoka, Keiji, Yamamoto, Hisashi, Wirth, Thomas

and Khan, Zulfiqar Ali 2008. Diisobutylaluminium phenyl selenide. Paquette, Leo A., ed. e-EROS encyclopedia of reagents for organic synthesis, Chichester: Wiley,

Mella, Massimo 2008. Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X13-nYn (n=0-3). Journal of Chemical Physics 128 (24) 10.1063/1.2937914

Menetrier, F., Taylor, D. M. and Comte, A. 2008. The biokinetics and radiotoxicology of curium: A comparison with americium. Applied Radiation and Isotopes 66 (5) , pp. 632-647. 10.1016/j.apradiso.2007.12.002

Merritt, Eleanor Anne 2008. Applications of the Bohlmann-Rahtz reaction in the synthesis of thiopeptide antibiotics. PhD Thesis, Cardiff University.

Miachon, Sylvain, Syakaev, Victor V., Rakhmatullin, Aydar, Pera-Titus, Marc, Caldarelli, Stefano and Dalmon, Jean-Alain 2008. Higher gas solubility in nanoliquids? ChemPhysChem 9 (1) , pp. 78-82. 10.1002/cphc.200700638

Miller, David James, Gao, Jiali, Truhlar, D. G., Young, Neil James, Gonzalez, Veronica and Allemann, Rudolf Konrad

2008. Stereochemistry of eudesmane cation formation during catalysis by aristolochene synthase from Penicillium roqueforti. Organic & Biomolecular Chemistry 6 (13) , pp. 2346-2354. 10.1039/b804198a

Miller, David James, Yu, Fanglei and Allemann, Rudolf Konrad

2008. FLUO 14-Study of sesquiterpene cyclization reactions using fluorinated farnesyl diphosphate analogs. Abstracts of Papers of the American Chemical Society 236

Milroy, L. G., Zinzalla, G., Loiseau, F., Qian, Z., Prencipe, G., Pepper, Christopher John, Fegan, Christopher Daniel

and Ley, S. V. 2008. Natural-product-like spiroketals and fused bicyclic acetals as potential therapeutic agents for B-cell chronic lymphocytic leukaemia. ChemMedChem 3 (12) , pp. 1922-1935. 10.1002/cmdc.200800265

Mokarzel-Falcon, L., Padron-Garcia, J. A., Carrasco-Velar, R., Berry, Colin.

and Montero-Cabrera, L. A. 2008. In silico study of the human rhodopsin and meta rhodopsin II/S-arrestin complexes: Impact of single point mutations related to retina degenerative diseases. Proteins: Structure, Function and Genetics 70 (4) , pp. 1133-1141. 10.1002/prot.21873

Morgan, Ian Rhys

, Yazici, Arife and Pyne, Stephen G. 2008. Diastereoselective borono-Mannich reactions on cyclic N-acyliminium ions. Tetrahedron 64 (7) , pp. 1409-1419. 10.1016/j.tet.2007.11.046

Morgan, Ian Rhys

, Yazici, Arife, Pyne, Stephen G. and Skelton, Brian W. 2008. Diastereoselective Ritter Reactions of Chiral CyclicN-Acyliminium Ions: Synthesis of Pyrido- and Pyrrolo[2,3-d]oxazoles and 4-Hydroxy-5-N-acylaminopyrrolidines and 5-Hydroxy-6-N-acylaminopiperidines. Journal of Organic Chemistry 73 (7) , pp. 2943-2946. 10.1021/jo800007g

Mullice, Lucy Anne, Laye, R. H., Harding, L. P., Buurma, Niklaas Jan

2008. Rhenium complexes of chromophore-appended dipicolylamine ligands: syntheses, spectroscopic properties, DNA binding and X-ray crystal structure. New Journal of Chemistry 32 (12) , pp. 2140-2149. 10.1039/b800999f

Muniz-Miranda, Maurizio, Pagliai, Marco, Cardini, Gianni, Messori, Luigi, Bruni, Bruno, Casini, Angela

, Di Vaira, Massimo and Schettino, Vincenzo 2008. A multi-technique approach to predicting the molecular structure of cuprizone in the gas phase and in the crystalline state. CrystEngComm 10 (4) , pp. 416-422. 10.1039/B715131D

Murphy, Damien Martin

and Chiesa, Mario 2008. EPR of paramagnetic centres on solid surfaces. Gilbert, Bruce C., ed. Electron paramagnetic resonance, Vol. 21. Cambridge: Royal Society of Chemistry, pp. 105-130. (10.1039/b709153m)

Murphy, Damien Martin

, Landon, James Hugh, Carter, Emma

and Vinck, Evi 2008. Discrimination of geometrical epoxide isomers by ENDOR spectroscopy and DFT calculations: the role of hydrogen bonds. Angewandte Chemie. International Edition 47 (8) , pp. 1414-1416. 10.1002/anie.200703537

Nagassa, M. E., Daw, A. E., Rowe, Wendy Gillian, Carley, Albert Frederick, Thomas, David William

and Moseley, Ryan

2008. Optimisation of the hydrogen peroxide pre-treatment of titanium: surface characterisation and protein adsorption. Clinical Oral Implants Research 19 (12) , pp. 1317-1326. 10.1111/j.1600-0501.2008.01611.x

Norman, David W., Carraz, Charles A., Hyett, David J., Pringle, Paul G., Sweeney, Joseph B., Orpen, A. Guy, Phetmung, Hirrahataya and Wingad, Richard L. 2008. Bidentates versus monodentates in asymmetric hydrogenation catalysis: Synergic effects on rate and allosteric effects on enantioselectivity. Journal of the American Chemical Society 130 (21) , pp. 6840-6847. 10.1021/ja800858x

Normand, A. T. and Cavell, Kingsley John 2008. Donor-functionalised N-heterocyclic carbene complexes of group 9 and 10 metals in catalysis: Trends and directions. European Journal of Inorganic Chemistry (18) , pp. 2781-2800. 10.1002/ejic.200800323

Normand, Adrien 2008. Interconversion between Ni and Pd bound n-heterocyclic carbenes and azolium salts: fundamental reactivity and applications to catalysis. PhD Thesis, Cardiff University.

Normand, Adrien, Yen, Swee Kuan, Huynh, Han Vinh, Hor, T. S. Andy and Cavell, Kingsley John 2008. Catalytic annulation of heterocycles via a novel redox process involving the imidazolium salt N-heterocyclic carbene couple. Organometallics 27 (13) , pp. 3153-3160. 10.1021/om800140n

Normand, Adrien T., Stasch, Andreas

, Ooi, Liling and Cavell, Kingsley John 2008. Design of cationic mixed phosphine/N-Heterocyclic carbene palladium(II) pi-Allyl complexes as monoligated phosphine Pd(0) precatalysts: synthesis, structural studies, catalysis, and reactivity. Organometallics 27 (24) , pp. 6507-6520. 10.1021/om8008052

Ntainjua Ndifor, Edwin., Garcia, T., Solsona, B. and Taylor, Stuart H.

2008. The influence of cerium to urea preparation ratio of nanocrystalline ceria catalysts for the total oxidation of naphthalene. Catalysis Today 137 (2-4) , pp. 373-378. 10.1016/j.cattod.2007.12.140

Ntainjua Ndifor, Edwin, Carley, Albert Frederick and Taylor, Stuart H.

2008. The role of support on the performance of platinum-based catalysts for the total oxidation of polycyclic aromatic hydrocarbons. Catalysis Today 137 (2-4) , pp. 362-366. 10.1016/j.cattod.2007.10.116

Ntainjua Ndifor, Edwin, Edwards, Jennifer Kelly

, Carley, Albert Frederick, Lopez-Sanchez, Jose Antonio, Moulijn, J. A., Herzing, A. A., Kiely, Christopher John

2008. The role of the support in achieving high selectivity in the direct formation of hydrogen peroxide. Green Chemistry 10 (11) , pp. 1162-1169. 10.1039/b809881f

Nuhu, Abdullahi 2008. The catalytic reaction of CO and alcohols over supported gold catalysts. PhD Thesis, Cardiff University.

Occhipinti, Paola and Griffiths, Peter Charles 2008. Quantifying diffusion in mucosal systems by pulsed-gradient spin-echo NMR. Advanced Drug Delivery Reviews 60 (15) , pp. 1570-1582. 10.1016/j.addr.2008.08.006

Olejniczak, S., Mikua-Pacboczyk, J., Hughes, Colan Evan and Potrzebowski, M. J. 2008. 15N and13C high-resolution solid-state NMR study of the polymorphism of the L-enantiomer of N-benzoylphenylalanine. Journal of Physical Chemistry B 112 (6) , pp. 1586-1593. 10.1021/jp073428u

Olejniczak, S., Mikua-Pacboczyk, J., Hughes, Colan Evan and Potrzebowski, M. J. 2008. N-15 and C-13 high-resolution solid-state NMR study of the polymorphism of the L-enantiomer of N-benzoylphenylalanine. Journal of Physical Chemistry B 112 (6) , pp. 1586-1593. 10.1021/jp073428u

Omer, Batoul Ahmed 2008. Application of segmented flow technique in catalytic organic syntheses. PhD Thesis, Cardiff University.

Overgaard, Jacob, Clausen, Henrik F., Platts, James Alexis

and Iversen, Bo B. 2008. Experimental and theoretical charge density study of chemical bonding in a Co dimer complex. Journal of the American Chemical Society 130 (12) , pp. 3834-3843. 10.1021/ja076152c

Pan, Z., Desmedt, A., MacLean, E. J., Guillaume, F. and Harris, Kenneth David Maclean

2008. Structural properties of low-temperature phase transitions in the prototypical thiourea inclusion compound: Cyclohexane/thiourea. Journal of Physical Chemistry C 112 (3) , pp. 839-847. 10.1021/jp076706y

Pera-Titus, Marc, Bausach, Marta, Llorens, Joan and Cunill, Fidel 2008. Preparation of inner-side tubular zeolite NaA membranes in a continuous flow system. Separation and Purification Technology 59 (2) , pp. 141-150. 10.1016/j.seppur.2007.05.038

Pera-Titus, Marc, Fité, Carles, Sebastián, Victor, Lorente, Esther, Llorens, Joan and Cunill, Fidel 2008. Modeling pervaporation of ethanol/water mixtures within ‘real' zeolite NaA membranes. Industrial & Engineering Chemistry Research 47 (9) , pp. 3213-3224. 10.1021/ie071645b

Pera-Titus, Marc, Llorens, Joan and Cunill, Fidel 2008. On a rapid method to characterize intercrystalline defects in zeolite membranes using pervaporation data. Chemical Engineering Science 63 (9) , pp. 2367-2377. 10.1016/j.ces.2008.01.023

Pommet, M., Juntaro, J., Heng, J. Y. Y., Mantalaris, A., Lee, Adam Fraser, Wilson, Karen, Kalinka, G, Shaffer, M. S. P. and Bismarck, A. 2008. Surface modification of natural fibers using bacteria: depositing bacterial cellulose onto natural fibers to create hierarchical fiber reinforced nanocomposites. Biomacromolecules 9 (6) , pp. 1643-1651. 10.1021/bm8001655

Porcheddu, Andrea, Giacomelli, Giampaolo, Piredda, Ivana, Carta, Mariolino

and Nieddu, Giammario 2008. A practical and efficient approach to PNA monomers compatible with Fmoc-mediated solid-phase synthesis protocols. European Journal of Organic Chemistry 2008 (34) , pp. 5786-5797. 10.1002/ejoc.200800891

Porzelle, Achim, Woodrow, M. D. and Tomkinson, Nicholas Charles Oliver 2008. Rearrangement of Differentially Protected N-Arylhydroxylamines. European Journal of Organic Chemistry (30) , pp. 5135-5143. 10.1002/ejoc.200800672

Pyne, Stephen G., Au, Christopher W. G., Davis, Andrew S., Morgan, Ian Rhys

, Ritthiwigrom, Thunwadee and Yazici, Arife 2008. Exploiting the borono-Mannich reaction in bioactive alkaloid synthesis. Pure and Applied Chemistry 80 (4) , pp. 751-762. 10.1351/pac200880040751

Radkevich, V. Z., Senko, T. L., Wilson, Karen, Grishenko, L. M., Zaderko, A. N. and Diyuk, V. Y. 2008. The influence of surface functionalization of activated carbon on palladium dispersion and catalytic activity in hydrogen oxidation. Applied Catalysis A: General 335 (2) , pp. 241-251. 10.1016/j.apcata.2007.11.029

Ramalho, Rui, Jervis, Peter J., Kariuki, Benson

, Humphries, Alexander C. and Cox, Liam R. 2008. A Brønsted acid mediated cascade enone synthesis from aldehydes containing a tethered propargylsilane. Journal of Organic Chemistry 73 (4) , pp. 1631-1634. 10.1021/jo702351s

Rao, K. N., Dingwall, L. D., Gai, P. L., Lee, Adam Fraser, Tavener, S. J., Young, N. A. and Wilson, Karen 2008. Synthesis and characterization of nanoporous phospho-tungstate organic - inorganic hybrid materials. Journal of Materials Chemistry 18 (8) , pp. 868-874. 10.1039/b715826b

Richardson, Robert David, Hernandez-Juan, F. A., Ward, J. W. and Dixon, D. J. 2008. Origin of Diastereocontrol in the Oxy-Michael Reactions of delta-Lactol Anions: A Computational and Experimental Study. Chemistry-a European Journal 14 (31) , pp. 9607-9612. 10.1002/chem.200801368

Richardson, Robert David and Carpenter, Barry K.

2008. A computational study of remote C-H activation by amine radical cations: implications for the photochemical reduction of carbon dioxide. Journal of the American Chemical Society 130 (10) , pp. 3169-3180. 10.1021/ja710595u

Richardson, Robert David and Wirth, Thomas

2008. Tetraazafulvalene: "Organisches" Natrium. Chemie in unserer Zeit 42 (3) , pp. 190-191. 10.1002/ciuz.200890032

Richardson, Simon C. W., Wallom, Kerri-Lee, Ferguson, Elaine Lesley

, Deacon, Simon P. E., Davies, Matthew W., Powell, Alison J., Piper, Robert C. and Duncan, Ruth 2008. The use of fluorescence microscopy to define polymer localisation to the late endocytic compartments in cells that are targets for drug delivery. Journal of Controlled Release 127 (1) , pp. 1-11. 10.1016/j.jconrel.2007.12.015

Roldan Martinez, Alberto

, Torres, Daniel, Ricart, Josep M. and Illas, Francesc 2008. The chemistry of chlorine on Ag(111) over the sub-monolayer range: A density functional theory investigation. Surface Science 602 (15) , pp. 2639-2642. 10.1016/j.susc.2008.06.014

Roldan Martinez, Alberto

, Vines, Francesc, Illas, Francesc, Ricart, Josep Manel and Neyman, Konstantin M. 2008. Density functional studies of coinage metal nanoparticles: scalability of their properties to bulk. Theoretical Chemistry Accounts 120 (4-6) , pp. 565-573. 10.1007/s00214-008-0423-x

Rose, R. P., Jones, Cameron, Schulten, C., Aldridge, S. and Stasch, Andreas

2008. Synthesis and Characterization of Amidinate-Iron(I) Complexes: Analogies with beta-Diketiminate Chemistry. Chemistry-a European Journal 14 (28) , pp. 8477-8480. 10.1002/chem.200801071

Safinia, Laleh, Wilson, Karen, Mantalaris, Athanasios and Bismarck, Alexander 2008. Through-thickness plasma modification of biodegradable and nonbiodegradable porous polymer constructs. Journal of Biomedical Materials Research Part A 87A (3) , pp. 632-642. 10.1002/jbm.a.31731

Sannella, Anna Rosa, Casini, Angela

, Gabbiani, Chiara, Messori, Luigi, Bilia, Anna Rita, Vincieri, Francesco Franco, Majori, Giancarlo and Severini, Carlo 2008. New uses for old drugs. Auranofin, a clinically established antiarthritic metallodrug, exhibits potent antimalarial effects in vitro: mechanistic and pharmacological implications. FEBS Letters 582 (6) , pp. 844-847. 10.1016/j.febslet.2008.02.028

Santos Carballal, David

, Suardiaz, Reynier, Montero, Luis A. and Pérez, Carlos 2008. DFT analysis of rotational barriers, 1H and 13C NMR chemical shifts in neutral and protonated furfurylidenanilines. Journal of Molecular Structure THEOCHEM 852 (1-3) , pp. 78-82. 10.1016/j.theochem.2007.12.014

Sass, Andrea, McKew, B. A., Sass, Henrik

, Fichtel, J., Timmis, K. N. and McGenity, T. J. 2008. Diversity of Bacillus-like organisms isolated from deep-sea hypersaline anoxic sediments. Saline Systems 4 (8) , pp. 1-11. 10.1186/1746-1448-4-8

Scheuermann, C. J. and Ward, Benjamin David

2008. Selected recent developments in organo-cobalt chemistry. New Journal of Chemistry 32 (11) , pp. 1850-1880. 10.1039/b802689k

Schuur, Boelo, Floure, Joelle, Hallett, Andrew Jon, Winkelman, Jozef G. M., de Vries, Johannes and Heeres, Hero J. 2008. Continuous chiral separation of amino acid derivatives by enantioselective liquid-liquid extraction in centrifugal contactor separators. Organic Process Research and Development 12 (5) , pp. 950-955. 10.1021/op800074w

Shang, Meng, Wang, Wenzhong, Sun, Songmei, Zhou, Lin and Zhang, Ling 2008. Bi2WO6 Nanocrystals with High Photocatalytic Activities under Visible Light. Journal of Physical Chemistry C 112 (28) , 10407--10411. 10.1021/jp802115w

Sharma, Pankaj

, Rajaram, P. and Tomar, Radha 2008. Synthesis and morphological studies of nanocrystalline MOR type zeolite material. Journal of Colloid and Interface Science 325 (2) , pp. 547-557. 10.1016/j.jcis.2008.05.058

Sharma, Pankaj

and Tomar, Radha 2008. Synthesis and application of an analogue of mesolite for the removal of uranium(VI), thorium(IV), and europium(III) from aqueous waste. Microporous and Mesoporous Materials 116 (1-3) , pp. 641-652. 10.1016/j.micromeso.2008.05.036

Sharma, Rajni, Sharma, Raj Pal and Kariuki, Benson

2008. Second sphere interaction in fluoroanion binding: Synthesis, spectroscopic and X-ray structural study of trans-dichlorobis(ethylenediamine) cobalt(III) terafluoroborate. Journal of Fluorine Chemistry 129 (5) , pp. 325-331. 10.1016/j.jfluchem.2008.01.006

Shishova, Ekaterina Y., Yu, Fanglei, Miller, David James, Faraldos, Juan A., Zhao, Yuxin X., Coates, Robert M., Allemann, Rudolf Konrad

, Cane, David E. and Christianson, David W. 2008. X-ray crystallographic studies of substrate binding to aristolochene synthase suggest a metal ion binding sequence for catalysis. Journal of Biological Chemistry 283 (22) , pp. 15431-15439. 10.1074/jbc.M800659200

Siksnys, V., Tamulaitis, G., Zaremba, M., Szczepanowski, R. and Bochtler, Matthias

2008. How do restriction enzymes acquire specificities for different target sites? [Abstract]. FEBS Journal 275 (S1) , p. 10. 10.1111/j.1742-4658.2008.06445.x

Singh, J., Unlu, Z., Ranganathan, R. and Griffiths, Peter Charles 2008. Aggregate properties of sodium deoxycholate and dimyristoylphosphatidylcholine mixed micelles. Journal of Physical Chemistry B 112 (13) , pp. 3997-4008. 10.1021/jp077380w

Singh, Neha. 2008. Syntheses of novel tris(pyrid-2-yl) and tris(2,2'-bipyrid-6-yl) methanol derivatives and their coordination chemistries. PhD Thesis, Cardiff University.

Sithamparappillai, Umacaran 2008. Influence of the reaction conditions on the synthesis of vanadium phosphate catalyst for butane oxidation to maleic anhydride. PhD Thesis, Cardiff University.

Smale, Simon 2008. Study of the hydrogen evolution reaction on platinum and platinum group metal surfaces. PhD Thesis, Cardiff University.

Smith, Keith, Evans, David A. and El-Hiti, Gamal A. 2008. Role of modern chemistry in sustainable arable crop protection Role of modern chemistry in sustainable arable crop protection. Philosophical Transactions of the Royal Society B - Biological Sciences 363 (1491) , pp. 623-637. 10.1098/rstb.2007.2174

Smith, Seth A., Edden, Richard Anthony Edward, Farrell, Jonathan A. D., Barker, Peter B. and Van Zijl, Peter C. M. 2008. Measurement of T1 and T2 in the cervical spinal cord at 3 Tesla. Magnetic Resonance in Medicine 60 (1) , pp. 213-219. 10.1002/mrm.21596

Smith, Andrew, Thomson, Jennifer, Kyle, Andrew, Gallagher, Katherine, Lenden, Philip, Concellón, Carmen, Morrill, Louis

, Miller, Andrew, Joannesse, Caroline and Slawin, Alexandra 2008. N-heterocyclic carbene catalysed oxygen-to-carbon carboxyl transfer of indolyl and benzofuranyl carbonates. Synthesis (Stuttgart) 2008 (17) , pp. 2805-2818. 10.1055/s-2008-1077890

Soderhjelm, Emma, House, Matthew Peter, Cruise, Neil, Holmberg, Johan, Bowker, Michael

, Bovin, Jan-Olov and Andersson, Arne 2008. On the Synergy Effect in MoO3-Fe-2(MoO4)(3) Catalysts for Methanol Oxidation to Formaldehyde. Topics in Catalysis 50 (1-4) , pp. 145-155. 10.1007/s11244-008-9112-1

Solsona, B., Davies, Thomas Edward, Garcia, T., Vazquez, I., Dejoz, A. and Taylor, Stuart Ha.

2008. Total oxidation of propane using nanocrystalline cobalt oxide and supported cobalt oxide catalysts. Applied Catalysis B-Environmental 84 (1-2) , pp. 176-184. 10.1016/j.apcatb.2008.03.021

Spillane, Catriona B., Dabo, Marième N.V., Fletcher, Nicholas C., Morgan, Joy L., Keene, F. Richard, Haq, Ihtshamul and Buurma, Niklaas Jan

2008. The dichotomy in the DNA-binding behaviour of ruthenium(II) complexes bearing benzoxazole and benzothiazole groups. Journal of Inorganic Biochemistry 102 (4) , pp. 673-683. 10.1016/j.jinorgbio.2007.10.011

Stasch, Andreas

, Forsyth, C. M., Jones, Cameron and Junk, P. C. 2008. Thermally stable lead(II) amidinates and guanidinates. New Journal of Chemistry 32 (5) , pp. 829-834. 10.1039/b718537e

Storr, T. E., Firth, A. G., Wilson, Karen, Darley, K., Baumann, C. G. and Fairlamb, I. J. S. 2008. Site-selective direct arylation of unprotected adenine nucleosides mediated by palladium and copper: insights into the reaction mechanism. Tetrahedron 64 (26) , pp. 6125-6137. 10.1016/j.tet.2008.01.062

Sukackaite, R., Grazulis, S., Bochtler, Matthias

and Siksnys, V. 2008. The recognition domain of the BpuJI restriction endonuclease in complex with cognate DNA at 1.3-A resolution. Journal of Molecular Biology 378 (5) , pp. 1084-1093. 10.1016/j.jmb.2008.03.041

Sulaimalebbe, Aslam, Porch, Adrian

, Vidal-Iglesias, F. J. and Attard, Gary Anthony 2008. Microwave properties of platinum nanoparticle films. Presented at: IEEE MTT-S International Microwave Symposium Digest, Atlanta, USA, pp. 1592-1595.

Sulaimalebbe, Aslam, Porch, Adrian

, Vidal-Iglesias, F. J. and Attard, Gary Anthony 2008. Microwave properties of platinum nanoparticle films. Microwave Symposium Digest , pp. 1585-1588. 10.1109/MWSYM.2008.4633086

Sun, Songmei, Wang, Wenzhong, Xu, Haolan, Zhou, Lin, Shang, Meng and Zhang, Ling 2008. Bi5FeTi3O15 Hierarchical Microflowers: Hydrothermal Synthesis, Growth Mechanism, and Associated Visible-Light-Driven Photocatalysis. Journal of Physical Chemistry C 112 (46) , 17835--17843. 10.1021/jp807379c

Szczepanowski, R. H., Carpenter, M. A., Czapinska, H., Zaremba, M., Tamulaitis, G., Siksnys, V., Bhagwat, A. S. and Bochtler, Matthais

2008. Central base pair flipping and discrimination by PspGI. Nucleic Acids Research 36 (19) , pp. 6109-6117. 10.1093/nar/gkn622

Tallis, Huw Aubrey, Newman, Paul David

, Edwards, Peter Gerald

, Ooi, Liling and Stasch, Andreas

2008. 1-Trimethylsilylphosphirane as a ligand and as a stable masked reagent for phosphirane. Dalton Transactions 2008 (1) , pp. 47-53. 10.1039/b715327a

Tamulaitis, G., Zaremba, M., Szczepanowski, R. H., Bochtler, Matthias

and Siksnys, V. 2008. How PspGI, catalytic domain of EcoRII and Ecl18kI acquire specificities for different DNA targets. Nucleic Acids Research 36 (19) , pp. 6101-6108. 10.1093/nar/gkn621

Taylor, David 2008. Radiation doses from some [H-3]-labelled organic compounds following ingestion. Radiation Protection Dosimetry 128 (3) , pp. 299-308. 10.1093/rpd/ncm390

Taylor, Nicholas John. 2008. Control of peptide secondary structure: photomodulation of peptide a-helicity in the apoptosis signalling pathway. PhD Thesis, Cardiff University.

Taylor, M, Ntainjua Ndifor, Edwin, Garcia, T., Solsona, B., Carley, Albert Frederick and Taylor, Stuart H.

2008. Deep oxidation of propane using palladium-titania catalysts modified by niobium. Applied Catalysis a-General 350 (1) , pp. 63-70. 10.1016/j.apcata.2008.07.045

Tetko, Igor V., Jaroszewicz, Iwona, Platts, James Alexis

and Kuduk-Jaworska, Janina 2008. Calculation of lipophilicity for Pt(II) complexes: Experimental comparison of several methods. Journal of Inorganic Biochemistry 102 (7) , pp. 1424-1437. 10.1016/j.jinorgbio.2007.12.029

Tey, Lai-Hock 2008. Studies of site-selective glycosylation of dihydrofolate reductase. PhD Thesis, Cardiff University.

Tomar, R., Sharma, D.

, Verma, S. and Sharma, Pankaj

2008. Effect of temperature on the sorption behavior of sodium potassium fluorophlogopite with respect to the heavy metal ions Cd2+, Hg2+, and Pb2+. Russian Journal of Physical Chemistry A, Focus on Chemistry 82 (1) , pp. 112-118. 10.1134/S0036024408010172

Torborg, C., Hughes, D. D., Buckle, R., Robinson, M. W. C., Bagley, Mark Christopher and Graham, A. E. 2008. Rapid ring-opening reactions of epoxides using microwave irradiation. Synthetic Communications 38 (2) , pp. 205-211. 10.1080/00397910701738982

Trewin, Abbie, Willock, David James

and Cooper, Andrew I. 2008. Atomistic simulation of micropore structure, surface area, and gas sorption properties for amorphous microporous polymer networks. Journal of Physical Chemistry. C 112 (51) , pp. 20549-20559. 10.1021/jp806397f

Velickovic, S. J., Dzunuzovic, E. S., Griffiths, Peter Charles, Lacik, I., Filipovic, J. and Popovic, I. G. 2008. Polymerization of Itaconic Acid Initiated by a Potassium Persulfate/N,N-Dimethylethanolamine System. Journal of Applied Polymer Science 110 (5) , pp. 3275-3282. 10.1002/app.28843

Vinck, Evi, Van Doorslaer, Sabine, Murphy, Damien M.

and Fallis, Ian A.

2008. The electronic structure of N,N′-bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexane-diamino cobalt(II). Chemical Physics Letters 464 (1-3) , pp. 31-37. 10.1016/j.cplett.2008.08.103

Vujkovic, Nadia, Fillol, Julio Lloret, Ward, Benjamin David

, Wadepohl, Hubert, Mountford, Philip and Gade, Lutz H. 2008. Insertions into azatitanacyclobutenes: new insights into three-component coupling reactions involving imidotitanium intermediates. Organometallics 27 (11) , pp. 2518-2528. 10.1021/om8001203

Wang, Hao, Lee, Kyu-Seung, Li, Songmei, Jin, Lihua, Lee, Sun-Kyun, Wu, Yanghe, Cho, Yong-Hoon and Cai, Jiye 2008. Fabrication of CdSe–ZnS nanocrystal-based local fluorescent aperture probes by active polymerization of photosensitive epoxy. Optics Communications 281 (6) , 1588--1592. 10.1016/j.optcom.2007.11.086

Wang, Manhui

, Sun, X. and Bian, W. 2008. Quasiclassical trajectory study of the SiH4+H→SiH3+H2 reaction on a global ab initio potential energy surface. The Journal of Chemical Physics 129 (8) , 084309. 10.1063/1.2973626

Weichsel, Ralf, Dix, Carolin, Wooldridge, Linda, Clement, Mathew

, Fenton-May, Angharad, Sewell, Andrew K.

, Zezula, Josef, Greiner, Elizabeth, Gostick, Emma, Price, David

, Einsele, Hermann and Seggewiss, Ruth 2008. Profound inhibition of antigen-specific T-cell effector functions by dasatinib. Clinical Cancer Research 14 (8) , pp. 2484-2491. 10.1158/1078-0432.CCR-07-4393

Weller, Michael D., Kariuki, Benson

and Cox, Liam R. 2008. beta-Halovinylsilanes in oligoyne synthesis: a fluoride-catalysed unmasking of alkynes from beta-fluorovinylsilanes. Tetrahedron Letters 49 (31) , pp. 4596-4600. 10.1016/j.tetlet.2008.05.081

Wilson, Karen, Hardacre, C., Lee, Adam Fraser, Montero, J. M. and Shellard, L. 2008. The application of calcined natural dolomitic rock as a solid base catalyst in triglyceride transesterification for biodiesel synthesis. Green Chemistry 10 (6) , pp. 654-659. 10.1039/B800455B

Wirth, Thomas

2008. Enhancement of reaction rates by segmented flow technique: New aspects for organic synthesis. Presented at: 1st SynTOP conference, Potsdam, Germany, 1-13 June 2008. Smart synthesis and technologies for organic processes : 1st SynTOP conference, Potsdam, June 11 - 13, 2008. VDI Berichte. VDI-Berichte (2039) Düsseldorf: VDI-Verl., pp. 103-104.

Wood, John Lawrence 2008. Asymmetric synthetic approaches to the batzelladine alkaloids. PhD Thesis, Cardiff University.

Xiao, W. Q., Zhang, B. Y. and Cong, Yuehua 2008. Preparation and characterization of side-chain liquid crystalline polymers containing chenodeoxycholic acid residue. Colloid and Polymer Science 286 (3) , pp. 267-274. 10.1007/s00396-007-1765-y

Xu, C., Bartley, Jonathan Keith

, Enache, D. I., Knight, David William, Lunn, M., Lok, M. and Hutchings, Graham John

2008. On the synthesis of b-keto-1,3-dithianes from conjugated ynones catalyzed by magnesium oxide. Tetrahedron Letters 49 (15) , pp. 2454-2456. 10.1016/j.tetlet.2008.02.030

Xu, Mingcan and Harris, Kenneth David MacLean

2008. Triple-quantum Na-23 MAS NMR spectroscopy as a technique for probing polymorphism in sodium salts. Crystal Growth & Design 8 (1) , pp. 6-10. 10.1021/cg701077p

Xu, Mingcan, Harris, Kenneth David MacLean

and Thomas, John Meurig 2008. Mapping the evolution of adsorption of water in nanoporous silica by in situ solid-state 1H NMR Spectroscopy. Journal of the American Chemical Society 130 (18) , pp. 5880-5882. 10.1021/ja8007243

Youngs, T. G. A., Haq, S. and Bowker, Michael

2008. Formic acid adsorption and oxidation on Cu(110). Surface Science 602 (10) , pp. 1775-1782. 10.1016/j.susc.2008.03.013

Zeng, Yi-Bo, Zhang, Dong-Mei, Li, Hongyan and Sun, Hongzhe 2008. Binding of Ni2+ to a histidine- and glutamine-rich protein, Hpn-like. Journal of Biological Inorganic Chemistry 13 (7) , 1121. 10.1007/s00775-008-0397-0

Zeng, X. B., Liu, F., Xie, F., Ungar, G., Tschierske, C. and Macdonald, John Emyr

2008. Small angle X-ray and neutron scattering in the study of polymers and supramolecular systems. Presented at: International Conference on Neutron and X-Ray Scattering, Serpong and Bandung, Indonesia, 23-31 July 2007. Published in: Ikram, Abarrul ed. Neutron and X-Ray Scattering in Materials Science and Biology. AIP Conference Proceedings (989) Melville, NY: American Institute of Physics, p. 68. 10.1063/1.2906097

Zhou, Lin, Wang, Wenzhong, Xu, Haolan and Sun, Songmei 2008. Template-free fabrication of CdMoO4 hollow spheres and their morphology-dependent photocatalytic property. Crystal Growth and Design 8 (10) , pp. 3595-3601. 10.1021/cg800077h

Zhou, Zhongfu and Harris, Kenneth David Maclean

2008. Counteracting stagnation in genetic algorithm calculations by implementation of a micro genetic algorithm strategy. Physical Chemistry Chemical Physics 10 (48) , pp. 7262-7269. 10.1039/b807326k

Zhou, Zhongfu and Harris, Kenneth David Maclean

2008. Optimizing the Number of Components in a Molecular Quasicrystal: A Three-Component Material Based on the Penrose Tiling. Journal of Physical Chemistry C 112 (42) , pp. 16186-16188. 10.1021/jp807372j

Zhou, Zhongfu and Harris, Kenneth David Maclean

2008. Residue-based charge flipping: A new variant of an emerging algorithm for structure solution from X-ray diffraction data. Journal of Physical Chemistry A 112 (22) , pp. 4863-4868. 10.1021/jp801185u

2007

Abdel-Megeed, Mohamed F., Azaam, Mohamed M. and El-Hiti, Gamal A. 2007. 3-Arylazo-2-thioxo-2,3-dihydro-1H-quinazolin-4-ones as azodisperse dyes for dyeing polyester fabrics. Monatshefte für Chemie 138 (2) , pp. 153-156. 10.1007/s00706-006-0582-1

Adams, Christopher J., Fey, Natalie, Parfitt, Matthew, Pope, Simon J. A.

and Weinstein, Julia A. 2007. Synthesis, structures and properties of a new series of platinum-diimine-dithiolate complexes. Dalton Transactions 2007 (39) , pp. 4446-4456. 10.1039/b709252k

Ahmed-Omer, Batoul, Brandt, Johan Christian and Wirth, Thomas

2007. Advanced organic synthesis using microreactor technology. Organic & Biomolecular Chemistry 5 (5) , pp. 733-740. 10.1039/B615072A

Al-Sayari, S., Carley, Albert Frederick, Taylor, Stuart H.

2007. Au/ZnO and Au/Fe2O3 catalysts for CO oxidation at ambient temperature: Comments on the effect of synthesis conditions on the preparation of high activity catalysts prepared by coprecipitation. Topics in Catalysis 44 (1-2) , pp. 123-128. 10.1007/s11244-007-0285-9

Alabdulrahman, Abdullah Mohammad 2007. Combined electrochemical and catalytic study of the enantioselective hydrogenation of ethyl pyruvate at supported platinum. PhD Thesis, Cardiff University.

Allemann, Rudolf Konrad

, Young, Neil James, Ma, Shuhua, Truhlar, Donald G. and Gao, Jiali 2007. Synthetic Efficiency in Enzyme Mechanisms Involving Carbocations: Aristolochene Synthase. Journal of the American Chemical Society 129 (43) , pp. 13008-13013. 10.1021/ja0722067

Alsindi, Wassim Z., Easun, Timothy

, Sun, X.-Z., Ronayne, Kate L., Towrie, Michael, Herrera, Juan-Manuel, George, Michael W. and Ward, Michael D. 2007. Probing the excited states of d(6) metal complexes containing the 2,2 '-bipyrimidine ligand using time-resolved infrared spectroscopy. 1. Mononuclear and homodinuclear systems. Inorganic Chemistry 46 (9) , pp. 3696-3704. 10.1021/ic0623112

Amoroso, Angelo James

, Coogan, Michael Peter, Dunne, Jennifer E., Fernandez-Moreira, Vanesa, Hess, Jacob B., Hayes, Anthony Joseph, Lloyd, David

, Millet, Coralie Ode, Pope, Simon J. A.

and Williams, Craig 2007. Rhenium fac tricarbonyl bisimine complexes: biologically useful fluorochromes for cell imaging applications. Chemical Communications (29) , pp. 3066-3068. 10.1039/b706657k

Armitage, Edward Simon Marco. 2007. Design and synthesis of Combretastatin A-4 like chalcones and their analogues, and other anticancer agents. PhD Thesis, Cardiff University.

Bacciu, Deborha. 2007. Abnormally bound n-heterocyclic carbene ligands at group 10 metal centres : Synthesis, structure, reaction chemistry and catalysis. PhD Thesis, Cardiff University.

Bagley, Mark Christopher, Davis, Terence

, Dix, Matthew, Rokicki, Michal Jaroslaw and Kipling, David Glyn 2007. Rapid synthesis of VX-745: p38 MAP kinase inhibition in Werner syndrome cells. Biorganic and Medicinal Chemistry Letters 17 (18) , pp. 5107-5110. 10.1016/j.bmcl.2007.07.016

Bai, Xiaojuan, Isaac, D. H. and Smith, Keith 2007. Reprocessing acrylonitrile–butadiene–styrene plastics: Structure–property relationships. Polymer Engineering & Science 47 (2) , pp. 120-130. 10.1002/pen.20681

Baker, Simon James 2007. Phosphorus-sulphur donor complexes of palladium, nickel and iridium: Preparation, coordination and structural characterisation. PhD Thesis, Cardiff University.

Ball, Graham E., Brookes, Christopher M., Cowan, Alexander J., Darwish, Tamim A., George, Michael W., Kawanami, Hajime K., Portius, Peter and Rourke, Jonathan P.

2007. A delicate balance of complexation vs. activation of alkanes interacting with [Re(Cp)(CO)(PF3)] studied with NMR and time-resolved IR spectroscopy. Proceedings of the National Academy of Sciences 104 (17) , pp. 6927-6932. 10.1073/pnas.0610212104

Bardelang, D., Camerel, F., Hotze, A. C. G., Kariuki, Benson

, Paik, B., Schmutz, M., Ziessel, R. and Hannon, M. J. 2007. Sodium chains as core nanowires for gelation of organic solvents from a functionalized nicotinic acid and its sodium salt. Chemistry - A European Journal 13 (33) , pp. 9277-9285. 10.1002/chem.200700660

Bew, S. P., El-Taeb, G. M. M., Jones, S., Knight, David William and Tan, W. F. 2007. Expedient syntheses of beta-iodofurans by 5-endo-dig cyclisations. European Journal of Organic Chemistry (34) , pp. 5759-5770. 10.1002/ejoc.200700681

Bowker, Michael.

2007. The 2007 Nobel Prize in Chemistry for surface chemistry: Understanding nanoscale phenomena at surfaces. Acs Nano 1 (4) , pp. 253-257. 10.1021/nn700356g

Bowker, Michael

2007. Resolving catalytic phenomena with scanning tunnelling microscopy. Physical Chemistry Chemical Physics 9 (27) , pp. 3514-3521. 10.1039/b703327n

Browne, Danielle Michelle, Niyomura, Osamu and Wirth, Thomas

2007. Catalytic use of selenium electrophiles in cyclizations. Organic Letters 9 (16) , pp. 3169-3171. 10.1021/ol071223y

Browne, Duncan L.

, Helm, Matthew D., Plant, Andrew and Harrity, Joseph P.A. 2007. A sydnone cycloaddition route to pyrazole boronic esters. Angewandte Chemie - International Edition 46 (45) , pp. 8656-8658. 10.1002/anie.200703767

Budd, Peter M., Butler, Anna, Selbie, James, Mahmood, Khalid, McKeown, Neil B., Ghanem, Bader, Msayib, Kadhum, Book, David and Walton, Allan 2007. The potential of organic polymer-based hydrogen storage materials. Physical Chemistry Chemical Physics 9 (15) , pp. 1802-1808. 10.1039/b618053a

Burgler, F. W., Fragale, G. and Wirth, Thomas

2007. Stereoselective addition reactions with chalcogen electrophiles. Arkivoc (x) , pp. 21-28.

Butters, M., Elliott, Mark Christopher

, Hill-Cousins, J., Paine, J. S. and Walker, J. K. E. 2007. Iodocyclization Reactions for the Desymmetrization of Cyclohexa-1,4-dienes. Organic Letters 9 (18) , 3635 -3638. 10.1021/ol701492g

Carley, Albert Frederick, Davies, Philip Rosser

, Harikumar, Kishore K., Jones, Rhys Vaughan and Roberts, Meirion Wyn 2007. Dissociative chemisorption of hydrogen chloride at Cu(110): atom-resolved time-dependent evidence for transient states in the formation of the final state stable chloride overlayer. Harris, K. D. M. and Edwards, P. P., eds. Turning Points in Solid-State, Materials and Surface Science, London: RSC Publishing, pp. 479-491. (10.1039/9781847558183-00479)

Carpenter, Barry K.

2007. Computational study of CO2 reduction by amines. Journal of Physical Chemistry A 111 (19) , pp. 3719-3726. 10.1021/jp0660076

Carter, Emma

, Carley, Albert Frederick and Murphy, Damien Martin

2007. Free-Radical Pathways in the Decomposition of Ketones over Polycrystalline TiO2: The Role of Organoperoxy Radicals. ChemPhysChem 8 (1) , pp. 113-123. 10.1002/cphc.200600484

Carter, Emma

, Carley, Albert Frederick and Murphy, Damien Martin

2007. Evidence for O2- Radical Stabilization at Surface Oxygen Vacancies on Polycrystalline TiO2. Journal of Physical Chemistry C 111 (28) , pp. 10630-10638. 10.1021/jp0729516

Carter, Emma.

2007. EPR investigation of stable and transient oxygen centred radicals over polycristalline titanium dioxide. PhD Thesis, Cardiff University.

Casadesus, Meritxell 2007. Synthesis, deracemisation, photochemistry and crystallisation studies in organic, organometallic and coordination chemistry directed towards circularly polarised light and chiral amplification. PhD Thesis, Cardiff University.

Casini, Angela

, Gabbiani, Chiara, Mastrobuoni, Guido, Pellicani, Raffaella Zoe, Intini, Francesco Paolo, Arnesano, Fabio, Natile, Giovanni, Moneti, Gloriano, Francese, Simona and Messori, Luigi 2007. Insights into the molecular mechanisms of protein platination from a case study: the reaction of anticancer Platinum(II) iminoethers with horse heart cytochrome c. Biochemistry 46 (43) , pp. 12220-12230. 10.1021/bi701516q

Casini, Angela

, Mastrobuoni, Guido, Ang, Wee Han, Gabbiani, Chiara, Pieraccini, Giuseppe, Moneti, Gloriano, Dyson, Paul J. and Messori, Luigi 2007. ESI-MS characterisation of protein adducts of anticancer ruthenium(II)-arene PTA (RAPTA) complexes. ChemMedChem 2 (5) , pp. 631-635. 10.1002/cmdc.200600258

Casini, Angela

, Mastrobuoni, Guido, Temperini, Claudia, Gabbiani, Chiara, Francese, Simona, Moneti, Gloriano, Supuran, Claudiu T., Scozzafava, Andrea and Messori, Luigi 2007. ESI mass spectrometry and X-ray diffraction studies of adducts between anticancer platinum drugs and hen egg white lysozyme. Chemical Communications (2) , pp. 156-158. 10.1039/B611122J

Casini, Angela

, Mastrobuoni, Guido, Terenghi, Mattia, Gabbiani, Chiara, Monzani, Enrico, Moneti, Gloriano, Casella, Luigi and Messori, Luigi 2007. Ruthenium anticancer drugs and proteins: a study of the interactions of the ruthenium(III) complex imidazolium trans-[tetrachloro(dimethyl sulfoxide)(imidazole)ruthenate(III)] with hen egg white lysozyme and horse heart cytochrome c. Journal of Biological Inorganic Chemistry 12 (8) , pp. 1107-1117. 10.1007/s00775-007-0280-4

Cheung, Eugene Y., David, Sarah E., Harris, Kenneth David Maclean

, Conway, Barbara R. and Timmins, Peter 2007. Structural properties of a family of hydrogen-bonded co-crystals formed between gemfibrozil and hydroxy derivatives of t-butylamine, determined directly from powder x-ray diffraction data. Journal of Solid State Chemistry 180 (3) , pp. 1068-1075. 10.1016/j.jssc.2006.12.036

Chiesa, M., Giamello, E., Annino, G., Massa, C. A. and Murphy, Damien Martin

2007. Multi-frequency high-field EPR study of (H+)(e−) pairs localized at the surface of polycrystalline MgO. Chemical Physics Letters 438 (4-6) , pp. 285-289. 10.1016/j.cplett.2007.03.024

Ciani, Laura, Casini, Angela

, Gabbiani, Chiara, Ristori, Sandra, Messori, Luigi and Martini, Giacomo 2007. DOTAP/DOPE and DC-Chol/DOPE lipoplexes for gene delivery studied by circular dichroism and other biophysical techniques. Biophysical Chemistry 127 (3) , pp. 213-220. 10.1016/j.bpc.2007.02.003

Cini, Renzo, Defazio, Sandra, Tamasi, Gabriella, Casolaro, Mario, Messori, Luigi, Casini, Angela

, Morpurgo, Margherita and Hursthouse, Michael 2007. fac-{Ru(CO)3}2+-core complexes and design of metal-based drugs. Synthesis, structure, and reactivity of Ru-thiazole derivative with serum proteins and absorption-release studies with acryloyl and silica hydrogels as carriers in physiological media. Inorganic Chemistry 46 (1) , pp. 79-92. 10.1021/ic060755s

Clegg, William, Elsegood, Mark R. J., Errington, R. John and Wingad, Richard L. 2007. Bis(tetrabutylammonium) [mu]-oxalato-bis[dibromidodioxidotungstate(VI)]. Acta Crystallographica Section E 63 (5) , m1269-m1270. 10.1107/S1600536807017102

Conte, Marco, Davies, Thomas, Carley, Albert F., Herzing, Andrew A., Kiely, Christopher J. and Hutchings, Graham J.

2007. Selective formation of chloroethane by the hydrochlorination of ethene using zinc catalysts. Journal of Catalysis 252 (1) , pp. 23-29. 10.1016/j.jcat.2007.09.002

Conte, Marco, Carley, Albert Frederick, Heirene, Clare, Willock, David James

, Johnston, Peter, Herzing, Andrew A., Kiely, Christopher J.

2007. Hydrochlorination of acetylene using a supported gold catalyst: A study of the reaction mechanism. Journal of Catalysis 250 (2) , pp. 231-239. 10.1016/j.jcat.2007.06.018

Coombs, N. D., Day, J. K., Aldridge, Simon, Coles, S. J. and Hursthouse, M. B. 2007. Linking of main group metals via bridging halide ligands: Structures of the bromo-indanediyl dimer [{(eta(5)-C5H5)Fe(CO)(2)}(2)InBr](2) and the related lithium bromide adduct [(eta(5)-C5H5)Fe(CO)(2)](2)In(mu-Br)(2)Li(OEt2)(2). Main Group Metal Chemistry 30 (4) , 195-+.

Davies, Elenna Rowan 2007. Axially chiral ligands for helical coordination complexes. PhD Thesis, Cardiff University.

Davies, Emyr Daniel 2007. Novel bis (pyrazol-3-yl) ligands. their synthesis and coordination chemistry. PhD Thesis, Cardiff University.

Davies, Philip Rosser

, Edwards, Dyfan and Parsons, Martin 2007. Molecularly resolved studies of the role of basicity in the reaction of amines with oxygen at a Cu(110) surface. Surface Science 601 (15) , pp. 3253-3260. 10.1016/j.susc.2007.06.009

Davies, Philip Rosser

and Roberts, Meirion Wyn 2007. Atom resolved surface reactions: nanocatalysis. RSC Nanoscience & Nanotechnology, Cambridge: Royal Society of Chemistry.

Davis, Terence.

, Bagley, Mark Christopher, Dix, M. C., Murziani, Paola G. S., Rokicki, M. J., Widdowson, C. S., Zayed, J. M., Bachler, M. A. and Kipling, David Glyn 2007. Synthesis and in vivo activity of MK2 and MK2 substrate-selective p38 alpha(MAPK) inhibitors in Werner syndrome cells. Bioorganic & Medicinal Chemistry Letters 17 (24) , pp. 6832-6835. 10.1016/j.bmcl.2007.10.036

Della Pina, Cristina, Dimitratos, Nikolaos

, Falletta, Ermelinda, Rossi, Michele and Siani, Attilio 2007. Catalytic performance of gold catalysts in the total oxidation of VOCs. Gold Bulletin 40 (1) , pp. 67-72. 10.1007/BF03215295

Dias, Luiz C., Gonzaga De Oliveira, Luciana and Meira, Paulo R. R. 2007. Recent results toward the stereoselective synthesis of biologically active natural products. Pure and Applied Chemistry 79 (2) , pp. 163-172. 10.1351/pac200779020163

Dimitratos, Nikolaos

, Della Pina, Cristina, Falletta, Ermelinda, Bianchi, Claudia L., Dal Santo, Vladimiro and Rossi, Michele 2007. Effect of Au in Cs2.5H1.5PVMo11O40 and Cs2.5H1.5PVMo11O40/Au/TiO2 catalysts in the gas phase oxidation of propylene. Catalysis Today 122 (3-4) , pp. 307-316. 10.1016/j.cattod.2007.01.037

Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Morgan, David John

, Carley, Albert Frederick, Prati, Laura and Hutchings, Graham John

2007. Solvent free liquid phase oxidation of benzyl alcohol using Au supported catalysts prepared using a sol immobilization technique. Catalysis Today 122 (3-4) , pp. 317-324. 10.1016/j.cattod.2007.01.002

Elliott, Mark Christopher

, El Sayed, Nahed N. E. and Paine, James S. 2007. Diastereospecific tandem Prins cyclisation/rearrangement reactions for the desymmetrisation of cyclohexa-1,4-dienes. European Journal of Organic Chemistry 2007 (5) , pp. 792-803. 10.1002/ejoc.200600928

Elliott, Mark Christopher

, El Sayed, Nahed Nasser and Ooi, Liling 2007. Sulfoxide-directed desymmetrisation of cyclohexa-1,4-dienes. Tetrahedron Letters 48 (26) , pp. 4561-4564. 10.1016/j.tetlet.2007.04.138

Elliott, Mark Christopher

and Paine, James S. 2007. 1R,1¢R)-1,1¢,2,2¢,3,3¢,4,4¢-Octahydro-1,1¢-biisoquinoline. Paquette, L. A., ed. e-EROS Encyclopedia of Reagents for Organic Synthesis, Chichester: Wiley-Blackwell,

Enache, Dan Ion, Barker, D., Edwards, Jennifer Kelly

, Knight, David William, Carley, Albert Frederick and Hutchings, Graham John

2007. Solvent-free oxidation of benzyl alcohol using titania-supported gold-palladium catalysts: Effect of Au-Pd ratio on catalytic performance. Catalysis Today 122 (3-4) , pp. 407-411. 10.1016/j.cattod.2007.01.003

Enache, Dan Ion, Dumas, D., Ellwood, S., Hutchings, Graham John

, Hawker, S. and Stitt, E. H. 2007. Intensification of the solvent-free catalytic hydroformylation of cyclododecatriene: Comparison of a stirred batch reactor and a heat-exchange reactor. Catalysis Today 128 (1-2 SP) , pp. 18-25. 10.1016/j.cattod.2007.08.011

Enache, Dan Ion, Hutchings, Graham John

, Raymahassy, S., Winterbottom, J. M., Mantle, M. D,, Sederman, A. J., Gladden, L. F., Chatwin, C., Symonds, K. T. and Stitt, E. H. 2007. Multiphase hydrogenation of resorcinol in structured and heat exchange reactor systems. Influence of the catalyst and the reactor configuration. Catalysis Today 128 (1-2 SP) , pp. 26-35. 10.1016/j.cattod.2007.08.012

Evans, Gareth J. S. 2007. Theoretical investigation into asymmetric iminium ion organocatalysis. PhD Thesis, Cardiff University.

Gabbiani, Chiara, Casini, Angela

and Messori, Luigi 2007. Gold(III) compounds as anticancer drugs. Gold Bulletin 40 (1) , pp. 73-81. 10.1007/BF03215296

Gade, Lutz H., Marconi, Guido, Dro, Clemence, Ward, Benjamin David

, Poyatos, Macarena, Bellemin-Laponnaz, Stephane, Wadepohl, Hubert, Sorace, Lorenzo and Poneti, Giordano 2007. Shaping and Enforcing Coordination Spheres: The Implications of C3 and C1 Chirality in the Coordination Chemistry of 1,1,1-Tris(oxazolinyl)ethane (Trisox). Chemistry - A European Journal 13 (11) , pp. 3058-3075. 10.1002/chem.200601651

Ghanem, Bader S., Msayib, Kadhum, McKeown, Neil B., Harris, Kenneth David Maclean

, Pan, Zhigang, Budd, Peter M., Butler, Anna, Selbie, James, Book, David and Walton, Allan 2007. A triptycene-based polymer of intrinsic microposity that displays enhanced surface area and hydrogen adsorption. Chemical Communications- Royal Society of Chemistry (1) , pp. 67-69. 10.1039/b614214a

Glover, P. B., Bassett, A. P., Nockemann, P., Kariuki, Benson

, Van Deun, R. and Pikramenou, Z. 2007. Fully fluorinated imidodiphosphinate shells for visible- and NIR-Emitting lanthanides: Hitherto unexpected effects of sensitizer fluorination on lanthanide emission properties. Chemistry - A European Journal 13 (22) , pp. 6308-6320. 10.1002/chem.200700087

Greco, F., Vicent, M. J., Gee, S., Jones, Arwyn Tomos

, Gee, Julia Margaret Wendy

, Nicholson, Robert Ian and Duncan, Ruth 2007. Investigating the mechanism of enhanced cytotoxicity of HPMA copolymer-Dox-AGM in breast cancer cells. Journal of Controlled Release 117 (1) , pp. 28-39. 10.1016/j.jconrel.2006.10.012

Griffiths, Peter Charles, Paul, Alison

, Wellappili, Champa Janakie, Murphy, Damien Martin

, Jenkins, Robert Leyshon, Waters, Sarah Jane, Nilmini, Renuka, Heenan, Richard K. and King, Stephen M. 2007. Derivatizing weak polyelectrolytes-Solution properties, self-aggregation, and association with anionic surfaces of hydrophobically modified poly(ethylene imine). Journal of Colloid and Interface Science 314 (2) , pp. 460-469. 10.1016/j.jcis.2007.05.082

Griffiths, Peter Charles, Khayat, Zeena, Tse, Stephanie, Heenan, Richard K., King, Stephen M. and Duncan, Ruth 2007. Studies on the Mechanism of Interaction of a Bioresponsive Endosomolytic Polyamidoamine with Interfaces. 1. Micelles as Model Surfaces. Biomacromolecules 8 (3) , pp. 1004-1012. 10.1021/bm060930w

Grillo, Federico. 2007. Structure and reactivity of model oxides related to automobile exhaust catalysis. PhD Thesis, Cardiff University.

Grotevendt, A., Bartolome, M., Nielsen, D. J., Spannenberg, A., Jackstell, R., Cavell, Kingsley John, Oro, L. A. and Beller, M. 2007. Efficient catalysts for telomerization of butadiene with amines. Tetrahedron Letters 48 (52) , pp. 9203-9207. 10.1016/j.tetlet.2007.10.076

Hanson, Andrew John, Cheung, Eugene Y. and Harris, Kenneth David Maclean

2007. Enhanced efficiency of direct-space structure solution from powder X-ray diffraction data in the case of conformationally flexible molecules. Journal of Physical Chemistry B 111 (23) , pp. 6349-6356. 10.1021/jp070954c

Harris, Kenneth David Maclean

2007. Aspects of validation in the structure determination of organic materials from powder X-ray diffraction data. Zeitschrift für Kristallographie 26 (S) , pp. 45-51. 10.1524/zksu.2007.2007.suppl_26.45

Harris, Kenneth David Maclean

2007. Fundamental and applied aspects of urea and thiourea inclusion compounds. Supramolecular Chemistry 19 (1-2) , pp. 47-53. 10.1080/10610270600977706

Hartinger, Christian G., Ang, Wee Han, Casini, Angela

, Messori, Luigi, Keppler, Bernhard K. and Dyson, Paul J. 2007. Mass spectrometric analysis of ubiquitin-platinum interactions of leading anticancer drugs: MALDI versus ESI. Journal of Analytical Atomic Spectrometry 22 (8) , pp. 960-967. 10.1039/B703350H

Hayes, Simon Jonathan. 2007. Flow system for heterocyclic synthesis. PhD Thesis, Cardiff University.

Hayes, Simon J., Knight, David William, Menzies, Melanie D., O'Halloran, Mark and Tan, Wen Fei 2007. An efficient furan synthesis using heterogeneous catalysis. Tetrahedron Letters 48 (43) , pp. 7709-7712. 10.1016/j.tetlet.2007.08.102

Herrera, Juan-Manuel, Pope, Simon J. A.

, Meijer, Anthony J. H. M., Easun, Timothy

, Adams, Harry, Alsindi, Wassim Z., Sun, Xue-Zhong, George, Michael W., Faulkner, Stephen and Ward, Michael D. 2007. Photophysical and Structural Properties of Cyanoruthenate Complexes of Hexaazatriphenylene. Journal of the American Chemical Society 129 (37) , pp. 11491-11504. 10.1021/ja072672w

Herzing, A. A., Tang, Z. R., Edwards, Jennifer Kelly

, Enache, Dan Ion, Bartley, Jonathan Keith

, Carley, Albert Frederick, Kiely, Christopher John

2007. Characterization of Au-based catalysts using novel cerium oxide supports. Microscopy and Microanalysis 13 , pp. 102-103. 10.1017/S143192760707660X

Hill, John Grant and Platts, James Alexis

2007. Spin-component scaling methods for weak and stacking interactions. Journal of Chemical Theory and Computation 3 (1) , pp. 80-85. 10.1021/ct6002737

Hix, G. B., Turner, A., Vahter, L. and Kariuki, Benson

2007. Synthesis and structural characterisation of two new porous metal phosphonates: Zn(O3PCH2CO2H) center dot H2O and Pb(O3CH=CH2). Microporous and Mesoporous Materials 99 (1-2) , pp. 62-69. 10.1016/j.micromeso.2006.09.017

Houghton, J., Dyson, G., Douthwaite, R. E., Whitwood, A. C. and Kariuki, Benson

2007. Structural variation, dynamics, and catalytic application of palladium(II) complexes of di-N-heterocyclic carbene-amine ligands. Dalton Transactions (28) , pp. 3065-3073. 10.1039/b703248j

House, Matthew Peter. 2007. Selective oxidation of methanol over iron molybdate catalysts. PhD Thesis, Cardiff University.

Hughes, Colan Evan, Hamad, Said, Harris, Kenneth David Maclean

, Catlow, C. Richard A. and Griffiths, Peter Charles 2007. A multi-techuique approach for probing the evolution of structural properties during crystallization of organic materials from solution. Faraday Discussions- Royal Society of Chemistry 136 , pp. 71-89. 10.1039/B616611C

Hussain, Tajammul, Mazhar, Mohammed, Iqbal, Sarwat, Gul, Sheraz, Hussain, Muzammil and Larachi, Faical 2007. Production of hydrogen and carbon nanotubes from catalytic decomposition of methane over Ni:Cu/Alumina modified supported catalysts. Bulletin of the Korean Chemical Society 28 (7) , pp. 1119-1126. 10.5012/bkcs.2007.28.7.1119

Hutchings, Graham John

2007. Copper manganese based mixed oxides for CO oxidation at ambient temperature. Presented at: 234th ACS National Meeting, Boston, MA, USA, 19-23 August 2007. ACS National Meeting Book of Abstracts.

Jalama, K., Coville, N. J., Hildebrandt, D., Glasser, D., Jewell, L. L., Anderson, J. A., Taylor, Stuart H.

, Enache, Dan Ion and Hutchings, Graham John

2007. Effect of the addition of Au on Co/TiO2 catalyst for the Fischer-Tropsch reaction. Topics in Catalysis 44 (1-2) , pp. 129-136. 10.1007/s11244-007-0286-8

Jeffery, Edward 2007. Hydrogenation of ketones over platinum group metals : a DFT study. PhD Thesis, Cardiff University.

Jenkins, Robert Leyshon 2007. Enantioselective hydrogenation of pyruvate esters over cinchona alkaloid modified platinum catalysts. PhD Thesis, Cardiff University.

John, Oliver R. S., Killeen, Niall M., Knowles, Deborah A., Yau, Sze Chak, Bagley, Mark Christopher and Tomkinson, Nicholas Charles Oliver 2007. Direct α-Oxytosylation of carbonyl compounds: One-pot synthesis of heterocycles. Organic Letters 9 (20) , pp. 4009-4012. 10.1021/ol701774y

Kays, Deborah L.

and Cowley, Andrew R. 2007. Monomeric, two-coordinate Mn, Fe and Co(II) complexes featuring 2,6-(2,4,6-trimethylphenyl)phenyl ligands. Chemical Communications (10) , pp. 1053-1055. 10.1039/B616584B

Kirsten, M., Rehbein, Julia, Hiersemann, M. and Strassner, T. 2007. Organocatalytic Claisen Rearrangement: Theory and Experiment. Journal of Organic Chemistry 72 (11) , pp. 4001-4011. 10.1021/jo062455y

Konstantinova, L. S., Berezin, A. A. and Rakitin, O. A. 2007. Transformations of N-ethylamines into amide derivatives under the action of sulfur monochloride. Russian Chemical Bulletin 56 (6) , pp. 1178-1183. 10.1007/s11172-007-0179-9

Konstantinova, Lidia S., Berezin, Andrej A., Lysov, Kirill A. and Rakitin, Oleg A. 2007. Selective synthesis of bis[1,2]dithiolo[1,4]thiazines from 4-isopropylamino-5-chloro-1,2-dithiole-3-ones. Tetrahedron Letters 48 (33) , pp. 5851-5854. 10.1016/j.tetlet.2007.06.071

Lazarides, Theodore, Alamiry, Mohammed A. H., Adams, Harry, Pope, Simon J. A.

, Faulkner, Stephen, Weinstein, Julia A. and Ward, Michael D. 2007. Anthracene as a sensitiser for near-infrared luminescence in complexes of Nd(iii), Er(iii) and Yb(iii): an unexpected sensitisation mechanism based on electron transfer. Dalton Transactions 2007 (15) , pp. 1484-1491. 10.1039/b700714k

Lazarides, Theodore, Davies, Graham M., Adams, Harry, Sabatini, Cristiana, Barigelletti, Francesco, Barbieri, Andrea, Pope, Simon J. A.

, Faulkner, Stephen and Ward, Michael D. 2007. Ligand-field excited states of hexacyanochromate and hexacyanocobaltate as sensitisers for near-infrared luminescence from Nd(III) and Yb(III) in cyanide-bridged d–f assemblies. Photochemical & Photobiological Sciences 6 (11) , pp. 1152-1157. 10.1039/b708683k

Lazarides, Theodore, Easun, Timothy

, Veyne-Marti, Claire, Alsindi, Wassim Z., George, Michael W., Deppermann, Nina, Hunter, Christopher A., Adams, Harry and Ward, Michael D. 2007. Structural and photophysical properties of adducts of [Ru(bipy)(CN)(4)](2-) with different metal cations: Metallochromism and its use in switching photoinduced energy transfer. Journal of the American Chemical Society 129 (13) , pp. 4014-4027. 10.1021/ja068436n

Lee, Adam Fraser, Chang, Z, Ellis, P, Hackett, S. F. J. and Wilson, Karen 2007. Selective oxidation of crotyl alcohol over pd(111). Journal of Physical Chemistry C 111 (51) , pp. 18844-18847. 10.1021/jp709944c

Lima de Miranda, Rodrigo, Kruse, Jan, Rätzke, Klaus, Faupel, Franz, Fritsch, Detlev, Abetz, Volker, Budd, Peter M., Selbie, James D., McKeown, Neil B. and Ghanem, Bader S. 2007. Unusual temperature dependence of the positron lifetime in a polymer of intrinsic microporosity. Physica Status Solidi (Rrl) Rapid Research Letters 1 (5) , pp. 190-192. 10.1002/pssr.200701116

Lubinu, Maria Caterina 2007. Microwave-mediated synthesis of N-containing heterocycles: from batch to continuous flow processes. PhD Thesis, Cardiff University.

Luk, Louis Yu Pan

, Bunn, Shannon, Liscombe, David K., Facchini, Peter J. and Tanner, Martin E. 2007. Mechanistic studies on norcoclaurine synthase of benzylisoquinoline alkaloid biosynthesis: An enzymatic Pictet-Spengler reaction. Biochemistry 46 (35) , pp. 10153-10161. 10.1021/bi700752n

Lukešová, L., Ward, Benjamin David

, Bellemin-Laponnaz, S., Wadepohl, H. and Gade, L. H. 2007. High tacticity control in organolanthanide polymerization catalysis: formation of isotactic poly(alpha-alkenes) with a chiral C-3-symmetric thulium complex. Dalton Transactions (9) , pp. 920-922. 10.1039/B700269F

Lukešová, L., Ward, Benjamin David

, Bellemin-Laponnaz, S., Wadepohl, H. and Gade, L. H. 2007. C-3-Symmetric chiral organolanthanide complexes: Synthesis, characterization, and stereospecific polymerization of alpha-olefins. Organometallics 26 (18) , pp. 4652-4657. 10.1021/om700504f

Makhseed, Saad, Ibrahim, Fadi, Bezzu, Caterina Grazia and McKeown, Neil B. 2007. The synthesis of metal-free octaazaphthalocyanine derivatives containing bulky phenoxy substituents to prevent self-association. Tetrahedron Letters 48 (41) , pp. 7358-7361. 10.1016/j.tetlet.2007.08.022

Mantzourani, Efthymia D.

, Brancale, Andrea

, Mavromoustakos, Thomas M. and Tselios, Theodore V. 2007. Molecular dynamics at the receptor level of immunodominant myelin basic protein epitope 87-99 implicated in multiple sclerosis and its antagonists altered peptide ligands: Triggering of immune response. Journal of Molecular Graphics and Modelling 26 (2) , pp. 471-481. 10.1016/j.jmgm.2007.02.004

Manunta, M., Izzo, L., Duncan, Ruth and Jones, Arwyn Tomos

2007. Establishment of subcellular fractionation techniques to monitor the intracellular fate of polymer therapeutics II. Identification of endosomal and lysosomal compartments in HepG2 cells combining single-step subcellular fractionation with fluorescent imaging. Journal of Drug Targeting 15 (1) , pp. 37-50. 10.1080/10611860601010330

Marti-Rujas, Javier, Desmedt, Arnaud, Harris, Kenneth David Maclean

and Guillaume, François 2007. Kinetics of molecular transport in a nanoporous crystal studied by Confocal Raman microspectrometry: Single-file diffusion in a densely filled tunnel. Journal of Physical Chemistry B 111 (43) , pp. 12339-12344. 10.1021/jp076532k

McKeown, Neil B., Badriya, Samer, Helliwell, Madeleine and Shkunov, Maxim 2007. The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes. Journal of Materials Chemistry 17 (20) , pp. 2088-2094. 10.1039/b614235d

McKeown, Neil B., Budd, Peter M. and Book, David 2007. Microporous polymers as potential hydrogen storage materials. Macromolecular Rapid Communications 28 (9) , pp. 995-1002. 10.1002/marc.200700054

McKeown, Neil B., Helliwell, Madeleine, Hassan, Bashir M., Hayhurst, David, Li, Hong, Thompson, Neil and Teat, Simon J. 2007. The Self-Ordering Properties of Novel Phthalocyanines with Out-of-Plane Alkyl Substituents. Chemistry - A European Journal 13 (1) , pp. 228-234. 10.1002/chem.200600697

Mereau, Raphael, Desmedt, Arnaud and Harris, Kenneth David Maclean

2007. Mechanistic aspects of the solid-state transformation of ammonium cyanate to urea at high pressure. Journal of Physical Chemistry B 111 (15) , pp. 3960-3968. 10.1021/jp070291z

Merritt, E. A. and Bagley, Mark Christopher 2007. Holzapfel-Meyers-Nicolaou modification of the Hantzsch thiazole synthesis. Synthesis 22 , pp. 3535-3541. 10.1055/s-2007-990851

Messori, Luigi, Casini, Angela

, Gabbiani, Chiara, Sorace, Lorenzo, Muniz-Miranda, Maurizio and Zatta, Paolo 2007. Unravelling the chemical nature of copper cuprizone. Dalton Transactions (21) , pp. 2112-2114. 10.1039/B701896G

Miller, D. J. and Allemann, Rudolf Konrad

2007. myo-Inositol Monophosphatase: A Challenging Target for Mood Stabilising Drugs. Mini-Reviews in Chemistry 7 (2) , pp. 107-113. 10.2174/138955707779802624

Miller, David James, Yu, Fanglei and Allemann, Rudolf Konrad

2007. Aristolochene synthase-catalyzed cyclization of 2-fluorofarnesyl-diphosphate to 2-fluorogermacrene A. Chembiochem 8 (15) , pp. 1819-1825. 10.1002/cbic.200700219

Miller, David James, Yu, Fanglei, Young, Neil J and Allemann, Rudolf Konrad

2007. Competitive inhibition of aristolochene synthase by phenyl-substituted farnesyl diphosphates: evidence of active site plasticity. Organic & Biomolecular Chemistry 5 (20) , pp. 3287-3298. 10.1039/b713301b

Mills, David Paul 2007. Investigations into the reactivity of an anionic gallium (I) N-heterocyclic carbene analogue. PhD Thesis, Cardiff University.

Morgan, Andrew John, Pleasance, B., Kinsey, H., Murphy, Damien Martin

and Davies, Michael Stuart 2007. The manganese relationships of ecophysiologically contrasting earthworm species (Lumbricus rubellus and Aporrectodea caliginosa) inhabiting manganese-mine soils. European Journal of Soil Biology 43 (S1) , S297-S302. 10.1016/j.ejsobi.2007.08.030

Mura, Pasquale, Camalli, Mercedes, Bindoli, Alberto, Sorrentino, Francesca, Casini, Angela

, Gabbiani, Chiara, Corsini, Maddalena, Zanello, Piero, Rigobello, Maria Pia and Messori, Luigi 2007. Activity of rat cytosolic thioredoxin reductase is strongly decreased by trans-[bis(2-amino-5-methylthiazole)tetrachlororuthenate(III)]: first report of relevant thioredoxin reductase inhibition for a ruthenium compound. Journal of Medicinal Chemistry 50 (24) , pp. 5871-5874. 10.1021/jm0708578

Narasimharao, K., Lee, Adam Fraser and Wilson, Karen 2007. Catalysts in production of biodiesel: a review. Journal of Biobased Materials and Bioenergy 1 (1) , pp. 19-30. 10.1166/jbmb.2007.002

Newman, C.P., Casey-Green, K., Clarkson, G.J., Cave, G.W.V., Errington, W. and Rourke, J.P.

2007. Cyclometallated platinum(II) complexes: oxidation to, and C-H activation by, platinum(IV). Dalton Transactions (29) , pp. 3170-3182. 10.1039/b705609e

Newman, C.P., Clarkson, G.J. and Rourke, J.P.

2007. Silver(I) N-heterocyclic carbene halide complexes: A new bonding motif. Journal of Organometallic Chemistry 692 (22) , pp. 4962-4968. 10.1016/j.jorganchem.2007.07.041

Newman, C.P., Deeth, R.J., Clarkson, G.J. and Rourke, J.P.

2007. Synthesis of mixed NHC/L platinum(II) complexes: Restricted rotation of the NHC group. Organometallics 26 (25) , pp. 6225-6233. 10.1021/om700671y

Niven, Stuart 2007. Chelating carbene ligands and their metal complexes. PhD Thesis, Cardiff University.

Ntainjua Ndifor, Edwin. 2007. Catalytic oxidation of volatile organic compounds. PhD Thesis, Cardiff University.

Ntainjua Ndifor, Edwin, Garcia, T., Solsona, B. and Taylor, Stuart H.

2007. Influence of preparation conditions of nano-crystalline ceria catalysts on the total oxidation of naphthalene, a model polycyclic aromatic hydrocarbon. Applied Catalysis B-Environmental 76 (3-4) , pp. 248-256. 10.1016/j.apcatb.2007.05.027

Oakley, Sarah Helen, Coogan, Michael Peter and Arthur, Richard J. 2007. Synthesis of Bis(imino)aryl Iridium Pincer Complexes and Demonstration of Catalytic Hydrogen-Transfer Activity. Organometallics 26 (9) , pp. 2285-2290. 10.1021/om070059f

Oldfield, Steven Peter, Hall, Matthew D. and Platts, James Alexis

2007. Calculation of lipophilicity of a large, diverse dataset of anticancer platinum complexes and the relation to cellular uptake. Journal of Medicinal Chemistry 50 (21) , pp. 5227-5237. 10.1021/jm0708275

Overgaard, Jacob, Waller, Mark P., Piltz, Ross, Platts, James Alexis

, Emseis, Paul, Leverett, Peter, Williams, Peter A and Hibbs, David E. 2007. Experimental and theoretical charge density distribution in two ternary cobalt(III) complexes of aromatic amino acids. Journal of Physical Chemistry A 111 (40) , pp. 10123-10133. 10.1021/jp068621n

Pang, Jiayun and Allemann, Rudolf Konrad

2007. Molecular dynamics simulation of thermal unfolding of Thermatoga maritima DHFR. Physical Chemistry Chemical Physics 9 (6) , pp. 711-718. 10.1039/b611210b

Paradine, Shauna M., French, Andrew N., Page, Thomas Keri, Richardson, Robert David and Wirth, Thomas

2007. Catalytic enantioselective alpha-oxytosylation of propiophenone using chiral hypervalent iodine reagents. Abstracts of Papers of the American Chemical Society 233 , p. 211.

Pascu, G. I., Hotze, A. C. G., Sanchez-Cano, C., Kariuki, Benson

and Hannon, M. J. 2007. Dinuclear ruthenium(II) triple-stranded helicates: Luminescent supramolecular cylinders that bind and coil DNA and exhibit activity against cancer cell lines. Angewandte Chemie International Edition 46 (23) , pp. 4374-4378. 10.1002/anie.200700656

Paul, Alison

, Griffiths, Peter Charles, Pettersson, E., Stilbs, P., Bales, Barney L., Zana, R. and Heenan, Richard K. 2007. Nuclear Magnetic Resonance and Small-Angle Neutron Scattering Studies of Anionic Surfactants with Macrocounterions: Tetramethylammonium Dodecyl Sulfate. Journal of Physical Chemistry B 109 (33) , pp. 15775-15779. 10.1021/jp050597a

Paul, Alison

, Vicent, Maria Jesus and Duncan, Ruth 2007. Using Small-Angle Neutron Scattering to Study the Solution Conformation of N-(2-Hydroxypropyl)methacrylamide Copolymer-Doxorubicin Conjugates. Biomacromolecules 8 (5) , pp. 1573-1579. 10.1021/bm060925s

Pell, Andrew J., Edden, Richard Anthony Edward and Keeler, James 2007. Broadband proton-decoupled proton spectra. Magnetic Resonance in Chemistry 45 (4) , pp. 296-316. 10.1002/mrc.1966

Pera-Titus, Marc, Bausach, Marta, Tejero, Javier, Iborra, Montserrat, Fité, Carles, Cunill, Fidel and Izquierdo, J. Felipe 2007. Liquid-phase synthesis of isopropyl tert-butyl ether by addition of 2-propanol to isobutene on the oversulfonated ion-exchange resin Amberlyst-35. Applied Catalysis A: General 323 , pp. 38-50. 10.1016/j.apcata.2007.01.048

Pera-Titus, Marc and Llorens, Joan 2007. Characterization of meso- and macroporous ceramic membranes in terms of flux measurement: a moment-based analysis. Journal of Membrane Science 302 (1-2) , pp. 218-234. 10.1016/j.memsci.2007.06.057

Pereira Silva, Maria Jose J., Bertoncello, Paolo, Daskalakis, Nikolaos N, Spencer, Neil, Kariuki, Benson

, Unwin, Patrick R. and Pikramenou, Zoe 2007. Surface-active mononuclear and dinuclear Ru(II) complexes based on thio-substituted terpyridines bearing cyclodextrin recognition units. Supramolecular Chemistry 19 (1-2) , pp. 115-127. 10.1080/10610270601026578

Pireddu, Roberta 2007. New anticancer drugs: targeting tubulin and signal transduction pathways. PhD Thesis, Cardiff University.

Platts, James Alexis

, Evans, Gareth James S., Coogan, Michael Peter and Overgaard, Jacob 2007. Electronic Structure of the Alkyne-Bridged Dicobalt Hexacarbonyl Complex Co2 μ-C2H2 (CO)6: Evidence for Singlet Diradical Character and Implications for Metal−Metal Bonding. Inorganic Chemistry 46 (16) , pp. 6291-6298. 10.1021/ic070278t

Pope, Simon J. A.

2007. Dual-emissive complexes: Visible and near-infrared luminescence from bis-pyrenyl lanthanide(III) complexes. Polyhedron 26 (17) , pp. 4818-4824. 10.1016/j.poly.2007.06.036

Pratesi, Alessandro, Zanello, Piero, Giorgi, Gianluca, Messori, Luigi, Laschi, Franco, Casini, Angela

, Corsini, Maddalena, Gabbiani, Chiara, Orfei, Marco, Rosani, Claudia and Ginanneschi, Mauro 2007. New copper(II)/cyclic tetrapeptide system that easily oxidizes to copper(III) under atmospheric oxygen. Inorganic Chemistry 46 (24) , pp. 10038-10040. 10.1021/ic701411y

Proctor, Anthony James 2007. Novel hydroxylamine chemistry and advances in product purification. PhD Thesis, Cardiff University.

Rabie, K.A., Sayed, S.A., Lasheen, T.A. and Salama, Ibrahim El Moaty 2007. Europium separation from a middle rare earths concentrate derived from Egyptian black sand monazite. Hydrometallurgy 86 (3-4) , pp. 121-130. 10.1016/j.hydromet.2006.10.007

Redman, James Edward

2007. Surface plasmon resonance for probing quadruplex folding and interactions with proteins and small molecules. Methods 43 (4) , pp. 302-312. 10.1016/j.ymeth.2007.05.008

Ren, Chien-Tai, Tsai, Yu-Hsuan

, Yang, Yu-Liang and Wu, Shih-Hsiung 2007. Synthesis of a tetrasaccharide glycosyl glycerol. Precursor to glycolipids of meiothermus taiwanensis ATCC BAA-400. Journal of Organic Chemistry 72 (14) , pp. 5427-5430. 10.1021/jo070629l

Ribeiro, M. F., Silva, J. M., Brimaud, S., Antunes, A. P., Silva, E. R., Fernandes, A., Magnoux, P. and Murphy, Damien Martin

2007. Improvement of toluene catalytic combustion by addition of cesium in copper exchanged zeolites. Applied Catalysis B - Environmental 70 (1-4) , pp. 384-392. 10.1016/j.apcatb.2006.01.027

Richards, Darran 2007. XPS and STM studies of simple and complex molecules at Cu(110) and Ag(111) surfaces. PhD Thesis, Cardiff University.

Richardson, Robert David, Desaize, Magalie and Wirth, Thomas

2007. Hypervalent iodine-mediated aziridination of alkenes: Mechanistic insights and requirements for catalysis. Chemistry - A European Journal 13 (23) , pp. 6745-6754. 10.1002/chem.200700306

Richardson, Robert David, Zayed, Jameel M., Altermann, Sabine, Smith, Daniel and Wirth, Thomas

2007. Tetrafluoro-IBA and -IBX: Hypervalent Iodine Reagents. Angewandte Chemie - International Edition 46 (34) , pp. 6529-6532. 10.1002/anie.200702313

Roberts, Huw John 2007. Synthesis of novel aryl and alkyl phosphine-imidazolium salts. PhD Thesis, Cardiff University.

Ronson, Tanya K., Adams, Harry, Harding, Lindsay P., Pope, Simon J. A.

, Sykes, Daniel, Faulkner, Stephen and Ward, Michael D. 2007. Polynuclear lanthanide complexes of a series of bridging ligands containing two tridentate N,N′,O-donor units: structures and luminescence properties. Dalton Transactions 2007 (10) , pp. 1006-1022. 10.1039/b618258e

Ruda, Antonio Maria 2007. New approaches to metal free asymmetric catalysis. PhD Thesis, Cardiff University.

Saipanya, Surin 2007. Preparation and reactivity of epitaxially grown iron oxide films: A surface science investigation. PhD Thesis, Cardiff University.

Sannella, Anna Rosa, Messori, Luigi, Casini, Angela

, Vincieri, Franco Francesco, Bilia, Anna Rita, Majori, Giancarlo and Severini, Carlo 2007. Antimalarial properties of green tea. Biochemical and Biophysical Research Communications 353 (1) , pp. 177-181. 10.1016/j.bbrc.2006.12.005

Sharma, Pankaj

, Bhardwaj, D., Tomar, Renu and Tomar, Radha 2007. Recovery of Pd(II) and Ru(III) from aqueous waste using inorganic ion-exchanger. Journal of Radioanalytical and Nuclear Chemistry 274 (2) , pp. 281-286. 10.1007/s10967-007-1112-2

Sharma, R., Sharma, R. P., Bala, R. and Kariuki, Benson

2007. Second sphere coordination in oxoanion binding: Synthesis, spectroscopic characterisation and crystal structures of trans-[bis(ethylenediamine)dinitrocobalt(III)] diclofenac and chlorate. Journal of Molecular Structure 826 (2-3) , pp. 177-184. 0.1016/j.molstruc.2006.04.045

Sidhu, Mandeep Kaur 2007. Synthesis and studies of the coordination chemistry with catalytic applications of tripodal ligands based on nitrogen, oxygen and sulfur donors. PhD Thesis, Cardiff University.

Simmons, Sarah J., French, Andrew N., Richardson, Robert David and Wirth, Thomas

2007. Attempted aziridinations and sulfonilimations using simple iron catalysts and hypervalent iodine reagents. Abstracts of Papers of the American Chemical Society 233 , p. 253.

Smith, Keith and Barratt, Mark Lewis 2007. Highly Selective 5-Substitution of 3-Methylthiophene via Directed Lithiation. Journal of Organic Chemistry 72 (3) , pp. 1031-1034. 10.1021/jo062024f

Solsona, B. E., Vazquez, I., Garcia, Tomas, Davies, T. E. and Taylor, S. H.

2007. Complete oxidation of short chain alkanes using a nanocrystalline cobalt oxide catalyst. Catalysis Letters 116 (3-4) , pp. 116-121. 10.1007/s10562-007-9136-3

Tahanpesar, Elham. 2007. Studies of the synthesis of cyclodextrins with novel stereochemistry. PhD Thesis, Cardiff University.

Talbot-Eeckelaers, Catherine, Pope, Simon J. A.

, Hynes, Amanda J., Copping, Roy, Jones, Chris J., Taylor, Robin J., Faulkner, Stephen, Sykes, Daniel, Livens, Francis R. and May, Iain 2007. Luminescence from Neptunyl(VI) Species in Solution. Journal of the American Chemical Society 129 (9) , pp. 2442-2443. 10.1021/ja068522n

Tang, Zi-Rong 2007. Green catalysts preparation using supercritical CO2 as an antisolvent. PhD Thesis, Cardiff University.

Tang, Z-R., Edwards, Jennifer Kelly

, Carley, Albert Frederick, Herzing, A. A., Kiely, Christopher John

2007. Nanocrystalline cerium oxide produced by supercritical antisolvent precipitation as a support for high-activity gold catalysts. Journal of Catalysis 249 (2) , pp. 208-219. 10.1016/j.jcat.2007.04.016

Taylor, D. M., Hodgson, S. A. and Stradling, N. 2007. Treatment of human contamination with plutonium and americium: Would orally administered Ca- or Zn-DTPA be effective? Radiation Protection Dosimetry 127 (1-4) , pp. 469-471. 10.1093/rpd/ncm299

Taylor, David 2007. Assessment of contributors to radiation dose following intakes of rapidly excreted [C-14]-compounds. Radiation Protection Dosimetry 127 (1-4) , pp. 440-443. 10.1093/rpd/ncm297

Thomas, Christopher P.

, Tatchell, Thomas and Heard, Christopher Martin

2007. Probing the skin permeation of fish oil/EPA and ketoprofen 1. NMR spectroscopy and molecular modelling. International Journal of Pharmaceutics 338 (1-2) , pp. 207-212. 10.1016/j.ijpharm.2007.02.006

Tippmann, Eric Michael, Liu, W., Surnmerer, D., Mack, A. V. and Schultz, P. G. 2007. A genetically encoded diazirine photocrosslinker in Escherichia coli. Chembiochem 8 (18) , pp. 2210-2214. 10.1002/cbic.200700460

Tippmann, Eric Michael and Schultz, Peter G. 2007. A genetically encoded metallocene containing amino acid. Tetrahedron 63 (27) , pp. 6182-6184. 10.1016/j.tet.2007.02.125

Van Doorslaer, S., Murphy, Damien Martin

2007. Evaluating pi-pi stacking effects in macrocyclic transition metal complexes using EPR techniques. Research on Chemical Intermediates 33 (8-9) , pp. 807-823. 10.1163/156856707782169318

van Doorslaer, S., Murphy, Damien Martin

2007. Evaluating π-π stacking effects in macrocyclic transition metal complexes using EPR techniques. Research on Chemical Intermediates 33 (8-9) , pp. 807-823. 10.1163/156856707782169318

Verdal, Nina, Hudson, Bruce S., Pan, Zhigang and Harris, Kenneth David Maclean

2007. Conformational analysis of methoxy-substituted benzenes: Comparing INS spectra to DFT calculations and crystallographic analysis. Abstracts of Papers of the American Chemical Society 233

Vidal-Iglesias, F. J., Al-Akl, A., Watson, D. and Attard, Gary Anthony 2007. Electrochemical characterization of PtPd alloy single crystal surfaces prepared using Pt basal planes as templates. Journal of Electroanalytical Chemistry 611 (1-2) , pp. 117-125. 10.1016/j.jelechem.2007.08.005

Vujkovic, N., Ward, Benjamin David

, Maisse-Francois, A., Wadepohl, H., Mountford, P. and Gade, L. H. 2007. Imido-alkyne coupling in titanium complexes: New insights into the alkyne hydroamination reaction. Organometallics 26 (23) , pp. 5522-5534. 10.1021/om700758v

Wada, Ryuichi, Beames, Joseph

and Orr-Ewing, Andrew J. 2007. Measurement of IO radical concentrations in the marine boundary layer using a cavity ring-down spectrometer. Journal of Atmospheric Chemistry 58 (1) , pp. 69-87. 10.1007/s10874-007-9080-z

Walker, S. M., Williams, J. T., Russell, A. G., Kariuki, Benson

and Snaith, J. S. 2007. Stereoselective synthesis of 3,4-disubstituted and 3,4,5-trisubstituted piperidines by Lewis acid-catalysed ene cyclisation of 4-aza-1,7-dienes. Organic & Biomolecular Chemistry 5 (18) , pp. 2925-2931. 10.1039/b708139a

Wallis, Christopher James 2007. Study of the coordination chemistry of phosphinines and phosphabarrelenes. PhD Thesis, Cardiff University.

Wass, Duncan F.

, Haddow, Mairi F., Hey, Thomas W., Orpen, A. Guy, Russell, Christopher A., Wingad, Richard L. and Green, Michael 2007. Cyclopropenylidenecarbeneligands in palladium C–C coupling catalysis. Chemical Communications (26) , pp. 2704-2706. 10.1039/B702827J

Wass, Duncan F.

, Haddow, Mairi F., Hey, Thomas W., Orpen, A. Guy, Russell, Christopher A., Wingad, Richard L. and Green, Michael 2007. Cyclopropenylidene carbene ligands in Palladium C-C coupling catalysis. ChemInform 38 (47) , 42. 10.1002/chin.200747042

Wass, Duncan F.

, Hey, Thomas W., Rodriguez-Castro, Jorge, Russell, Christopher A., Shishkov, Igor V., Wingad, Richard L. and Green, Michael 2007. Cyclopropenylidene carbene ligands in palladium C−N coupling catalysis. Organometallics 26 (19) , pp. 4702-4703. 10.1021/om700695x

Williams, I., Reeves, K., Kariuki, Benson

and Cox, Liam R. 2007. Stereoselective synthesis of 2-dienyl-substituted piperidines using an eta(4)-dienetricarbonyliron complex as the stereocontrolling element in a double reductive amination cascade. Organic & Biomeolecular Chemistry 5 (20) , pp. 3325-3329. 10.1039/b710898b

Xu, Mingcan and Harris, Kenneth David Maclean

2007. Alteration of polymorphic selectivity through different crystallization mechanisms occurring in the same crystallization solution. Journal of Physical Chemistry B 111 (30) , pp. 8705-8707. 10.1021/jp074375j

Xu, Mingcan, Harris, Kenneth David Maclean

, Thomas, John Meurig and Vaughan, David 2007. Probing the evolution of adsorption on nanoporous solids by in situ solid-state NMR spectroscopy. Chemphyschem 8 (9) , pp. 1311-1313. 10.1002/cphc.200700218

Yu, Fanglei 2007. Design and synthesis of farnesyl diphosphate analogues for modulating the chemistry of aristolochene synthase. PhD Thesis, Cardiff University.

Yu, Fanglei, Miller, David James and Allemann, Rudolf Konrad

2007. Probing the reaction mechanism of aristolochene synthase with 12,13-difluorofarnesyl diphosphate. Chemical Communications- Royal Society of Chemistry (40) , pp. 4155-4157. 10.1039/b709562g

Zhao, Yanjun 2007. On the investigation of alcohol synthesis via the Fischer Tropsch reaction. PhD Thesis, Cardiff University.

Zhao, Y., Mpela, A., Enache, Dan Ion, Taylor, Stuart H.

, Hildebrandt, D., Glasser, D., Hutchings, Graham John

, Atkins, M. P. and Scurrell, M. S. 2007. Study of carbon monoxide hydrogenation over supported Au catalysts. Studies in Surface Science and Catalysis 163 , pp. 141-151. 10.1016/S0167-2991(07)80477-0

Zhou, Zhongfu, Siegler, Veronique, Cheung, Eugene, Habershon, Scott, Harris, Kenneth David Maclean

and Johnston, Roy L. 2007. Advantages of a redefinition of variable-space in direct-space structure solution from powder X-ray diffraction data. ChemPhysChem 8 (5) , pp. 650-653. 10.1002/cphc.200600726

2006

Adams, H., Alsindi, W. Z., Davies, G. M., Duriska, M. B., Easun, Timothy

, Fenton, H. E., Herrera, J. M., George, M. W., Ronayne, K. L., Sun, X. Z., Towrie, M. and Ward, M. D. 2006. New members of the [Ru(diimine)(CN)(4)](2-) family: structural, electrochemical and photophysical properties. Dalton Transactions (1) , pp. 39-50. 10.1039/B509042C

Ahmed, Batoul, Barrow, David Anthony

and Wirth, Thomas

2006. Enhancement of reaction rates by segmented fluid flow in capillary scale reactors. Advanced Synthesis & Catalysis 348 (9) , pp. 1043-1048. 10.1002/adsc.200505480

Ahn, Shinbyoung, Guo, Fang

2006. Abundant polymorphism in a system with multiple hydrogen-bonding opportunities: Oxalyl dihydrazide. Journal of the American Chemical Society 128 (26) , pp. 8441-8452. 10.1021/ja0573155

Al-Anazi, Flaiyh Farhan N. 2006. Propane oxidative dehydrogenation to propene using molybdenum phosphate catalysts. PhD Thesis, Cardiff University.

Al-Sayari, Saleh Abdullah 2006. Synthesis of active supported gold catalysts for CO oxidation and light alkane activation. PhD Thesis, Cardiff University.

Albers, Thomas and Edwards, Peter Gerald

2006. Template synthesis of benzannulated triphosphacyclononanes-a new class of phosphacrowns via template assisted nucleophilic P-C bond formation. Chemical communications (8) , pp. 858-860. 10.1039/b613672a

Aldridge, Simon, Jones, Cameron, Gans-Eichler, Timo, Stasch, Andreas

, Kays, Deborah L.

, Coombs, Natalie D. and Willock, David J.

2006. Cationic terminal borylene complexes: structure/bonding analysis and [4+1] cycloaddition reactivity of a BN vinylidene analogue. Angewandte Chemie - International Edition 45 (37) , pp. 6118-6122. 10.1002/anie.200602162

Aldridge, Simon and Kays, Deborah L.

2006. Chemistry of metal-boron double bonds. Main Group Chemistry 5 (4) , pp. 223-249. 10.1080/10241220701635411

Aldridge, Simon, Kays, Deborah L.

, Al-Fawaz, Amal, Jones, Kevin M., Horton, Peter N., Hursthouse, Michael B., Harrington, Ross W. and Clegg, William 2006. Migratory insertion of [B(C6F5)2] into C-H bonds: CO promoted transfer of the boryl fragment. Chemical Communications (24) , pp. 2578-2580. 10.1039/B604141H

Allemann, Rudolf Konrad

, Evans, Rhiannon Mari, Tey, Lai-Hock, Maglia, G., Pang, Jiayun, Rodriguez, Robert, Shrimpton, P. J. and Swanwick, Richard S. 2006. Protein motions during catalysis by dihydrofolate reductases. Philosophical Transactions of the Royal Society of London Series B - Biological Sciences 361 (1472) , pp. 1317-1321. 10.1098/rstb.2006.1865

Austin, Talbir Kaur 2006. Hydration, polymorphism and disorder in organic solids, including materials of pharmaceutical relevance. PhD Thesis, Cardiff University.

Baber, R. Angharad, Bedford, Robin B., Betham, Michael, Blake, Michael E., Coles, Simon J., Haddow, Mairi F., Hursthouse, Michael B., Orpen, A. Guy, Pilarski, Lukasz T., Pringle, Paul G. and Wingad, Richard L. 2006. Chiral palladium bis(phosphite)PCP-pincer complexes via ligand C–H activation. Chemical Communications 2006 (37) , pp. 3880-3882. 10.1039/B609704A

Bagley, Mark C., Davis, Terence

, Dix, Matthew C., Widdowson, Caroline S. and Kipling, David Glyn 2006. Microwave-assisted synthesis of N-pyrazole ureas and the p38α inhibitor BIRB 796 for study into accelerated cell ageing. Organic & Biomolecular Chemistry 4 (22) , pp. 4158-4164. 10.1039/b611493h

Bagley, Mark Christopher, Davis, Terence

, Dix, Matthew Charles, Widdowson, Caroline S. and Kipling, David Glyn 2006. Microwave-assisted synthesis of N-pyrazole ureas and the p38 inhibitor BIRB 796 for study into accelerated cell ageing. Organic & biomolecular chemistry 4 (22) , pp. 4158-4164. 10.1039/b611493h

Baker, Robert James, Jones, Cameron, Mills, David Paul, Murphy, Damien Martin

, Hey-Hawkins, Evamarie and Wolf, Robert 2006. The reactivity of gallium-(i), -(ii) and -(iii) heterocycles towards Group 15 substrates: attempts to prepare gallium-terminal pnictinidene complexes. Dalton Transactions (1) , pp. 64-72. 10.1039/b511451a

Bala, R., Sharma, R. P., Sharma, R. and Kariuki, Benson

2006. A new anion, [Hg-2(SCN)(7)](3-): First synthesis, spectroscopic characterization and X-ray structure determination of [Co(NH3)(6)][Hg-2(SCN)(7)]. Inorganic Chemistry Communications 9 (8) , pp. 852-855. 10.1016/j.inoche.2006.05.003

Bannister, N. P., Harris, Kenneth David Maclean

, Collins, S. P., Martindale, A., Monks, P. S., Solan, G. and Fraser, G. W. 2006. Dichroic Filters For Astronomical X-Ray Polarimetry. Experimental Astronomy 21 (1) , pp. 1-12. 10.1007/s10686-006-9054-1

Battle, Andrew Raymond, Edwards, Peter Gerald

, Haigh, Robert, Hibbs, David Edward, Li, Dong-Mei, Liddiard, Sam M. and Newman, Paul David

2006. Synthesis and characterization of iron(II) complexes of 10- and 11-membered triphosphamacrocycles. Organometallics 26 (2) , pp. 377-386. 10.1021/om060798g

Bausach, M., Pera-Titus, M., Fite, C., Cunill, F., Izquierdo, J.-F., Tejero, J. and Iborra, M. 2006. Water-induced rearrangement of Ca(OH)2 (0001) surfaces reacted with SO2. AIChE Journal 52 (8) , pp. 2876-2886. 10.1002/aic.10907

Bissmire, Stewart. 2006. Theoretical and experimental investigation of stereoselective iodolactonisation. PhD Thesis, Cardiff University.

Bochtler, Matthias

, Szczepanowski, Roman H., Tamulaitis, Gintautas, Grazulis, Saulius, Czapinska, Honorata, Manakova, Elena and Siksnys, Virginijus 2006. Nucleotide flips determine the specificity of the Ecl18kI restriction endonuclease. The EMBO Journal 25 (10) , pp. 2219-2229. 10.1038/sj.emboj.7601096

Bonnet, Ludovic G. and Kariuki, Benson

2006. Ionic liquids: Synthesis and characterisation of triphenylphosphonium tosylates. European Journal of Inorganic Chemistry 2006 (2) , pp. 437-446. 10.1002/ejic.200500769

Bushell, James Andrew, Claybourn, Mike, Murphy, Damien Martin

and Williams, Helen E. 2006. An EPR, ENDOR and EIE study of γ-irradiated poly (lactide-co-glycolide) polymers. Magnetic Resonance in Chemistry 44 (10) , pp. 929-935. 10.1002/mrc.1880

Buttler, Oliver, Al-Fawaz, Amal, Kays, Deborah L.

, Day, Joanna K., Ooi, Li-Ling and Aldridge, Simon 2006. Halide abstraction by Na[B{C6H3(CF3) 2-3,5}4]: synthesis and structural characterization of the rhodium(I) cations [(η6-arene)Rh(PPh3) 2]+ (arene = benzene, toluene). Zeitschrift fur Anorganische und Allgemeine Chemie 632 (14) , pp. 2187-2189. 10.1002/zaac.200600165

Casadesus, Meritxell, Coogan, Michael Peter and Ooi, Liling 2006. Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies. Organic & Biomolecular Chemistry 4 (20) , pp. 3822-3830. 10.1039/b608785j

Casini, Angela

, Cinellu, Maria Agostina, Minghetti, Giovanni, Gabbiani, Chiara, Coronnello, Marcella, Mini, Enrico and Messori, Luigi 2006. Structural and solution chemistry, antiproliferative effects, and DNA and protein binding properties of a series of dinuclear gold(III) compounds with bipyridyl ligands. Journal of Medicinal Chemistry 49 (18) , pp. 5524-5531. 10.1021/jm060436a

Casini, Angela

, Gabbiani, Chiara, Mastrobuoni, Guido, Messori, Luigi, Moneti, Gloriano and Pieraccini, Giuseppe 2006. Exploring metallodrug-protein interactions by ESI mass spectrometry: the reaction of anticancer platinum drugs with horse heart cytochrome c. ChemMedChem 1 (4) , pp. 413-417. 10.1002/cmdc.200500079

Cavell, Kingsley John, Elliott, Mark Christopher

, Nielsen, David J. and Paine, James S. 2006. Chiral N-heterocyclic carbene ligands based on a biisoquinoline template. Dalton Transactions (41) , pp. 4922-4925. 10.1039/b611647g

Cavill, Julie L., Elliott, Richard L., Evans, Gareth James S., Jones, Ian L., Platts, James Alexis

, Ruda, Antonio M. and Tomkinson, Nicholas Charles Oliver 2006. The α-effect in iminium ion catalysis. Tetrahedron 62 (2-3) , pp. 410-421. 10.1016/j.tet.2005.08.110

Cheung, Eugene Y. and Harris, Kenneth David Maclean

2006. Molecular crystal structures from powder X-ray diffraction techniques. Zeitschrift für Kristallographie Supplements 23 , pp. 15-20.

Cheung, Eugene, Harris, Kenneth David Maclean

, Kang, Ting, Scheffer, John R. and Trotter, J. 2006. Structure-reactivity correlations for solid state enantioselective photochemical reactions, established directly from powder X-ray diffraction. Journal of the American Chemical Society 128 (49) , pp. 15554-15555. 10.1021/ja063706n

Chiesa, Mario, Paganini, Maria Cristina, Giamello, Elio, Murphy, Damien Martin

, Di Valentin, Cristiana and Pacchioni, Gianfranco 2006. Excess Electrons Stabilized on Ionic Oxide Surfaces. Accounts of Chemical Research 39 (11) , pp. 861-867. 10.1021/ar068144r

Chong, S. Y., Seaton, C. C., Kariuki, Benson

and Tremayne, M. 2006. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives. Acta Crystallographica Section B-Structural Science 62 (5) , pp. 864-874. 10.1107/S0108768106020921

Chowdhury, Masrur and Kariuki, Benson

2006. Supramolecular assembly in cinnamate structures: The influence of the ammonium ion and halogen interactions. Crystal Growth & Design 6 (3) , pp. 774-780. 10.1021/cg050604k

Clews, P. K., Douthwaite, R. E., Kariuki, Benson

, Moore, T. and Taboada, M. 2006. Layered compounds incorporating 9,9 '-spirobifluorene: Hydrogen-bonded and metal-organic networks derived from 9,9 '-spirobifluorene-2,2 ',7,7 '-tetracarboxylic acid. Crystal Growth and Design 6 (9) , pp. 1991-1994. 10.1021/cg060007d

Coevering, Rob van de, Alfers, Alfred P., Meeldijk, Johannes D., Martinez-Viviente, Eloísa, Pregosin, Paul S., Klein Gebbink, Robertus J. M. and van Koten, Gerard 2006. Ionic core-shell dendrimers with an octacationic core as non-covalent supports for homogeneous catalysts. Journal of the American Chemical Society 128 (39) , pp. 12700-12713. 10.1021/ja060079t

Constable, E. C., Housecrof, C. E., Kariuki, Benson

and Mahmood, A. 2006. Where did all the bpy go? - Synthesis, crystal and molecular structure of 4-nitropicolinic acid monohydrate. Supramolecular Chemistry 18 (4) , pp. 299-303. 10.1080/10610270500398821

Constable, Edwin C., Housecroft, Catherine E., Kariuki, Benson

and Smith, Christopher B. 2006. A planar silver(I) complex with a 'simple' 2,2 '-bipyridine ligand. Australian Journal of Chemistry 59 (1) , pp. 30-33.

Conte, Marco, Budroni, Gerolamo, Bartley, Jonathan Keith

, Carley, Albert Frederick, Schmidt, Andi, Murphy, Damien Martin

, Girgsdies, Frank, Ressler, Thorsten, Schlögl, Robert and Hutchings, Graham John

2006. Chemically Induced Fast Solid-State Transitions of ω-VOPO4 in Vanadium Phosphate Catalysts. Science 313 (5791) , pp. 1270-1273. 10.1126/science.1130493

Conte, Marco. 2006. Heterogeneous gold and vanadium based catalysts for hydrochlorination and oxidation reactions. PhD Thesis, Cardiff University.

Coombs, Natalie D., Bunn, Natalie R., Kays, Deborah L.

, Day, Joanna K., Ooi, Li-Ling and Aldridge, Simon 2006. Substitution, abstraction and addition chemistry of low-coordinate gallium and indium ligand systems. Inorganica Chimica Acta 359 (11) , pp. 3693-3698. 10.1016/j.ica.2006.01.021

Coquet, Rudy, Hutchings, Graham John

2006. Calculations on the adsorption of Au to MgO surfaces using SIESTA. Journal of Materials Chemistry 16 (20) , pp. 1978-1988. 10.1039/b601213b

Davies, Thomas Edward, Garcia, Tomas, Solsona, Benjamin Espriu and Taylor, Stuart H.

2006. Nanocrystalline cobalt oxide: a catalyst for selective alkane oxidation under ambient conditions. Chemical Communications (32) , pp. 3417-3419. 10.1039/b606973h

Davies, Thomas Edward. 2006. Metal oxide catalysts for the low temperature selective oxidation of propane to iso-propanol. PhD Thesis, Cardiff University.

Davies, Christopher D., Elliott, Mark Christopher

and Wood, John L. 2006. Acylation of alkylidenepyrrolidines with heterocumulenes - a reinvestigation. Tetrahedron 62 (48) , pp. 11158-11164. 10.1016/j.tet.2006.09.014

De Francesco, Laura. 2006. Towards the total synthesis of a potential M1 muscarinic agonist and study on regioselective cyclisations for the synthesis of highly substituted piperazinones. PhD Thesis, Cardiff University.

Dimitratos, Nikolaos

, Lopez-Sanchez, Jose Antonio, Lennon, D., Porta, F., Prati, L. and Villa, A. 2006. Effect of particle size on monometallic and bimetallic (Au,Pd)/C on the liquid phase oxidation of glycerol. Catalysis Letters 108 (3-4) , pp. 147-153. 10.1007/s10562-006-0036-8

Dimitratos, Nikolaos

, Messi, C., Porta, F., Prati, L. and Villa, A. 2006. Investigation on the behaviour of Pt(0)/carbon and Pt(0),Au(0)/carbon catalysts employed in the oxidation of glycerol with molecular oxygen in water. Journal of Molecular Catalysis A: Chemical 256 (1-2) , pp. 21-28. 10.1016/j.molcata.2006.04.019

Dimitratos, Nikolaos

and Vedrine, Jacques C. 2006. Study of Ga modified Cs(2.5)H(1.5)PV(1)Mo(11)O(40) heteropolyoxometallates for propane selective oxidation. Journal of Molecular Catalysis A: Chemical 255 (1-2) , pp. 184-192. 10.1016/j.molcata.2006.03.075

Dimitratos, Nikolaos

and Vedrine, Jacques C. 2006. Effect of Bronsted acidity in propane oxidation over Cs2.5H1.5PV1Mo11-xWxO40 polyoxometallate compounds. Catalysis Communications 7 (10) , pp. 811-818. 10.1016/j.catcom.2006.02.024

Dimitratos, Nikolaos

, Villa, Alberto, Bianchi, Claudia L., Prati, Laura and Makkee, Michiel 2006. Gold on titania: Effect of preparation method in the liquid phase oxidation. Applied Catalysis A: General 311 , pp. 185-192. 10.1016/j.apcata.2006.06.026

Dimitratos, Nikolaos

, Villa, Alberto, Wang, Di, Porta, Francesca, Su, Dangsheng and Prati, Laura 2006. Pd and Pt catalysts modified by alloying with Au in the selective oxidation of alcohols. Journal of Catalysis 244 (1) , pp. 113-121. 10.1016/j.jcat.2006.08.019

Doherty, Ruth, Haddow, Mairi F., Harrison, Zoë A., Orpen, A. Guy, Pringle, Paul G., Turner, Alex and Wingad, Richard L. 2006. Bulky 4-phosphacyclohexanones: diastereoselective complexations, orthometallations and unprecedented [3.1.1]metallabicycles. Dalton Transactions 2006 (36) , pp. 4310-4320. 10.1039/b607490a

Edden, Richard Anthony Edward, Schär, Micael, Hillis, Argye E. and Barker, Peter B. 2006. Optimized detection of lactate at high fields using inner volume saturation. Magnetic Resonance in Medicine 56 (4) , pp. 912-917. 10.1002/mrm.21030

Edwards, Dyfan. 2006. Molecularly resolved studies of the reactions of amines with Cu(110) surfaces. PhD Thesis, Cardiff University.

Edwards, Jennifer Kelly.

2006. Direct synthesis of hydrogen peroxide from hydrogen and oxygen over catalysts containing gold. PhD Thesis, Cardiff University.

Edwards, Peter Gerald

, Haigh, Robert, Li, Dong-Mei and Newman, Paul David

2006. Template synthesis of 1,4,7-triphosphacyclononanes. Journal of the American Chemical Society 128 (11) , pp. 3818-3830. 10.1021/ja0578956

El-Sayed, Nahed Nasser Eid. 2006. Cyclisation desymmetrisation reactions of cyclohexa-1,4-dienes. PhD Thesis, Cardiff University.

Elliott, Mark Christopher

and Wordingham, Stuart V. 2006. A Convenient Protocol for the Alkylidenation of Lactams. Synthesis 2006 (7) , pp. 1162-1170. 10.1055/s-2006-926390

Enache, Dan Ion, Edwards, Jennifer Kelly

, Landon, Philip, Solsona, Benjamin Espriu, Carley, Albert Frederick, Herzing, Andrew A., Watanabe, Masashi, Kiely, Christopher John

, Knight, David William and Hutchings, Graham John

2006. Solvent-Free Oxidation of Primary Alcohols to Aldehydes Using Au-Pd/TiO2 Catalysts. Science 311 (5759) , pp. 362-365. 10.1126/science.1120560

Engeler, Marco Bruno Raphael 2006. New model Hamiltonians for improved orbital basis set convergence. PhD Thesis, Cardiff University.

Evans, Gareth James S., White, Katherine, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2006. Computational study of iminium ion formation: effects of amine structure. Organic & Biomolecular Chemistry 4 (13) , pp. 2616-2627. 10.1039/B602645A

Evans, P.G., Brown, N.A., Clarkson, G.J., Newman, C.P. and Rourke, J.P.

2006. Cyclopalladated acetate dimers: crystal structures and VT-NMR. Journal of Organometallic Chemistry 691 (6) , pp. 1251-1256. 10.1016/j.jorganchem.2005.11.066

Forcat, Silvia and Allemann, Rudolf Konrad

2006. Stabilisation of transition states prior to and following eudesmane cation in aristolochene synthase. Organic & Biomolecular Chemistry 4 (13) , pp. 2563-2567. 10.1039/b604147g

Fourre, Elodie. 2006. Surface science and catalysis studies of the structure and reactivity of model catalysts. PhD Thesis, Cardiff University.

Gandon, Lucile A., Russell, Alexander G., Guveli, Tatyana, Brodwolf, Angela E., Kariuki, Benson

, Spencer, Neil and Snaith, John S. 2006. Synthesis of 2,4-disubstituted piperidines via radical cyclization: Unexpected enhancement in diastereoselectivity with tris(trimethylsilyl) silane. Journal of Organic Chemistry 71 (14) , pp. 5198-5207. 10.1021/jo060495w

Garcia, Tomas, Solsona, Benjamin Espriu and Taylor, Stuart H.

2006. Naphthalene total oxidation over metal oxide catalysts. Applied Catalysis B Environmental 66 (1-2) , pp. 92-99. 10.1016/j.apcatb.2006.03.003

Glennie, Sarah. 2006. Catalytic hydrogenation of nitriles to amines. PhD Thesis, Cardiff University.

Glover, Christian. 2006. Towards the total synthesis of thiopeptide antibiotics. PhD Thesis, Cardiff University.

Gonzaga De Oliveira, Luciana, Dias, Luiz C., Sakauchi, Hiroyuki and Kiyota, Hiromasa 2006. Spirofungins A and B: a reassignment of Kiyota's spiroketals. Tetrahedron Letters 47 (14) , pp. 2413-2418. 10.1016/j.tetlet.2006.01.153

Gordon, Gareth. 2006. Anarchist authorities : Rebel signifiers and the struggle for control of the anarchist text. PhD Thesis, Cardiff University.

Greenslade, Mark. 2006. Electrochemical & catalytic study of graphite-supported palladium-gold catalysts for vinyl acetate synthesis. PhD Thesis, Cardiff University.

Guo, Fang

, Casadesus, Meritxell, Cheung, Eugene, Coogan, Michael Peter and Harris, Kenneth David Maclean

2006. On the spontaneous induction of chirality in the preparation of Werner's complex cis-[CoBr(NH3)(en)2]Br2. Chemical Communications (17) , pp. 1854-1856. 10.1039/b601530a

Guo, Fang, Cheung, Eugene Y., Harris, Kenneth David Maclean

and Pedireddi, V. R. 2006. Contrasting solid-state structures of Trithiocyanuric Acid and Cyanuric Acid. Crystal Growth and Design 6 (4) , pp. 846-848. 10.1021/cg0601094

Hawkes, Kirsty June. 2006. Group 9 and 10 transition metal n-heterocyclic carbene complexes in catalysis. PhD Thesis, Cardiff University.

Hayes, Robert A., Watson, G. W. and Willock, David James

2006. Simulation of the structure of organosilane film coatings. Molecular Simulation 32 (12-13) , pp. 1095-1101. 10.1080/08927020601052898

Herrera, Juan-Manuel, Pope, Simon J. A.

, Adams, Harry, Faulkner, Stephen and Ward, Michael D. 2006. Structural and Photophysical Properties of Coordination Networks Combining [Ru(Bpym)(CN)4]2- or [{Ru(CN)4}2(μ-bpym)]4- Anions (bpym = 2,2‘-Bipyrimidine) with Lanthanide(III) Cations: Sensitized Near-Infrared Luminescence from Yb(III), Nd(III), and Er(III) Following Ru-to-Lanthanide Energy Transfer. Inorganic Chemistry 45 (10) , pp. 3895-3904. 10.1021/ic0521574

Herrera, Juan-Manuel, Ward, Michael D., Adams, Harry, Pope, Simon J. A.

and Faulkner, Stephen 2006. Polynuclear cyanoruthenate chromophores based on hexaaza-triphenylene containing up to twelve cyanides: photophysical and structural properties. Chemical Communications 2006 (17) , pp. 1851-1853. 10.1039/b601876a

Hill, John Grant, Platts, James Alexis

and Werner, Hans-Joachim 2006. Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods. Physical Chemistry Chemical Physics 8 (35) , pp. 4072-4078. 10.1039/b608623c

Hotze, Anna C. G., Kariuki, Benson

and Hannon, Michael J. 2006. Dinuclear double-stranded metallosupramolecular ruthenium complexes: Potential anticancer drugs. Angewandte Chemie International Edition 45 (29) , pp. 4839-4842. 10.1002/anie.200601351

Huang, H., Young, N., Williams, B. P., Taylor, Stuart H.

2006. High temperature COS hydrolysis catalysed by γ-Al2O 3. Catalysis Letters 110 (3-4) , pp. 243-246. 10.1007/s10562-006-0115-x

Jervis, Peter J., Kariuki, Benson

and Cox, Liam R. 2006. Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy. Organic Letters 8 (20) , pp. 4649-4652. 10.1021/ol061957v

Jones, Christopher David 2006. Ambient temperature oxidation of carbon monoxide by copper-manganese oxide based catalysts. PhD Thesis, Cardiff University.

Jones, Ian Leigh 2006. Development of second generation scaffolds for iminium ion catalysis. PhD Thesis, Cardiff University.

Jones, Andrew D., Redfern, Adele L., Knight, David William, Morgan, Ian Rhys

and Williams, Andrew C. 2006. Selenocyclisations of homoallylic sulfonamides: stereoselective methods for the elaboration of substituted pyrrolidines, pyrrolines and derivatives. Tetrahedron 62 (39) , pp. 9247-9257. 10.1016/j.tet.2006.07.018

Jones, Cameron, Junk, Peter C., Platts, James Alexis

and Stasch, Andreas

2006. Four-Membered Group 13 Metal(I) N-Heterocyclic Carbene Analogues: Synthesis, Characterization, and Theoretical Studies. Journal of the American Chemical Society 128 (7) , pp. 2206-2207. 10.1021/ja057967t

Kays, Deborah L.

, Day, Joanna K., Aldridge, Simon, Harrington, Ross W. and Clegg, William 2006. Cationic terminal borylene complexes: Interconversion of amino and alkoxy borylenes by an unprecedented Meerwein-Ponndorf hydride transfer. Angewandte Chemie - International Edition 45 (21) , pp. 3513-3516. 10.1002/anie.200600714

Kitchin, Simon J., Xu, Mingcan, Serrano-Gonzalez, Heliodoro, Coates, Laura J., Ahmed, S. Zaka, Glidewell, Christopher and Harris, Kenneth David Maclean

2006. Solid triphenylmethanol: a molecular material that undergoes multiple internal reorientational processes on different timescales. Journal of Solid State Chemistry 179 (5) , pp. 1335-1338. 10.1016/j.jssc.2006.01.047

Konstantinova, L. S., Berezin, A. A., Lysov, K. A. and Rakitin, O. A. 2006. Synthesis of 5-mercapto-1,2-dithiole-3-thiones and their transformation into 5-chloro-1,2-dithiol-3-ones. Russian Chemical Bulletin 55 (1) , pp. 147-151. 10.1007/s11172-006-0228-9

Koursarou, Despina. 2006. Complexes and applications of substituted bidentate P, S ligands. PhD Thesis, Cardiff University.

Ladame, Sylvian, Schouten, James A., Roldan, Jose, Redman, James Edward

, Neidle, Stephen and Balasubramanian, Shankar 2006. Exploring the Recognition of Quadruplex DNA by an Engineered Cys2-His2 Zinc Finger Protein. Biochemistry 45 (5) , pp. 1393-1399. 10.1021/bi050229x

Lunn, Rebecca Jayne. 2006. New approaches to the design of redox catalysts for use in immunohistochemical imaging. PhD Thesis, Cardiff University.

Maffei, A. Verena, Budd, Peter M. and McKeown, Neil B. 2006. Adsorption studies of a microporous phthalocyanine network polymer. Langmuir 22 (9) , pp. 4225-4229. 10.1021/la060091z

Maglia, Giovanni, Swanwick, Richard S., Tey, Lai-Hock and Allemann, Rudolf Konrad

2006. Coupling of protein motions and hydrogen transfer during catalysis by Escherichia coli dihydrofolate reductase. Biochemical Journal 394 (1) , pp. 259-265. 10.1042/BJ20051464

Mantzourani, Efthymia D.

, Tselios, T. V., Grdadolnik, S. Golič, Brancale, Andrea

, Matsoukas, J. M. and Mavromoustakos, T. M. 2006. A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87–99. Journal of Molecular Graphics and Modelling 25 (1) , pp. 17-29. 10.1016/j.jmgm.2005.09.010

Mantzourani, Efthymia D.

, Tselios, Theodore V., Grdadolnik, Simona Golic, Platts, James Alexis

, Brancale, Andrea

, Deraos, George N., Matsoukas, John M. and Mavromoustakos, Thomas M. 2006. Comparison of Proposed Putative Active Conformations of Myelin Basic Protein Epitope 87−99 Linear Altered Peptide Ligands by Spectroscopic and Modelling Studies: The Role of Positions 91 and 96 in T-Cell Receptor Activation. Journal of Medicinal Chemistry 49 (23) , pp. 6683-6691. 10.1021/jm060040z

Martí-Rujas, Javier, Harris, Kenneth David Maclean

, Desmedt, Arnaud and Guillaume, François 2006. In-situ monitoring of alkane-alkane guest exchange in urea inclusion compounds using confocal raman microspectrometry. Molecular Crystals and Liquid Crystals 456 (1) , pp. 139-147. 10.1080/15421400600788633

Marti-Rujas, Javier, Harris, Kenneth David Maclean

, Desmedt, Arnaud and Guillaume, François 2006. Significant conformational changes associated with molecular transport in a crystalline solid. Journal of Physical Chemistry B 110 (22) , pp. 10708-10713. 10.1021/jp060738o

McKeown, Neil B. and Budd, Peter M. 2006. Polymers of intrinsic microporosity (PIMs): Organic materials for membrane separations, heterogeneous catalysis and hydrogen storage. Chemical Society Reviews 35 (8) , pp. 675-683. 10.1039/b600349d

McKeown, Neil B., Gahnem, Bader, Msayib, Kadhum, Budd, Peter M., Tattershall, Carin E., Mahmood, Khalid, Tan, Siren, Book, David, Langmi, Henrietta W. and Walton, Allan 2006. Towards polymer-based hydrogen storage materials: Engineering ultramicroporous cavities within polymers of intrinsic microporosity. Angewandte Chemie - International Edition 45 (11) , pp. 1804-1807. 10.1002/anie.200504241

McKeown, Neil B., Makhseed, Saad, Msayib, Kadhum, Ooi, Liling, Helliwell, Madeleine and Warren, John E. 2006. A Phthalocyanine Clathrate of Cubic Symmetry Containing Interconnected Solvent-Filled Voids of Nanometer Dimensions. Angewandte Chemie International Edition 44 (46) , pp. 7546-7549. 10.1002/anie.200502668

McMaster, J., Portius, P., Ball, G.E., Rourke, J.P.

and George, M.W. 2006. Density functional theoretical studies of the Re-Xe bonds in Re(Cp)(CO) (PF3)Xe and Re(Cp)(CO)(2)Xe. Organometallics 25 (22) , pp. 5242-5248. 10.1021/om060485l

Meenakshisundaram, Sankar

, Nair, C. Madhaven, Murty, K. and Manikandan, P. 2006. Transesterification of cyclic carbonates with methanol at ambient conditions over tungstate-based solid catalysts. Applied Catalysis A: General 312 , pp. 108-114. 10.1016/j.apcata.2006.06.034

Murphy, Damien Martin

and Farley, Robert D. 2006. Principles and applications of ENDOR spectroscopy for structure determination in solution and disordered matrices. Chemical Society Reviews 35 (3) , pp. 249-268. 10.1039/b500509b

Newell, M, Ingram, J. D., Easun, Timothy

, Vickers, S. J., Adams, H, Ward, M. D. and Thomas, J. A. 2006. Structure and properties of dinuclear [Ru-II([n]aneS(4))] complexes of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine. Inorganic Chemistry 45 (2) , pp. 821-827. 10.1021/ic051151b

Newman, C.P., Clarkson, G.J., Alcock, N.W. and Rourke, J.P.

2006. Carbene or zwitterion? Competition in organoplatinum complexes. Dalton Transactions (27) , pp. 3321-3325. 10.1039/b517874f

Nicoll, Andrew J., Miller, David James, Fütterer, Klaus, Ravelli, Raymond and Allemann, Rudolf Konrad

2006. Designed high affinity Cu2+ -Binding α-Helical foldamer. Journal of the American Chemical Society 128 (28) , pp. 9187-9193. 10.1021/ja061513u

Niyomura, Osamu, Cox, Matthew and Wirth, Thomas

2006. Electrochemical generation and catalytic use of selenium electrophiles. Synlett (2) , pp. 251-254. 10.1055/s-2005-923585

Pan, Zhigang, Xu, Mingcan, Cheung, Eugene Y., Harris, Kenneth David Maclean

, Constable, Edwin C. and Housecroft, Catherine E. 2006. Understanding the structural properties of a dendrimeric material directly from powder X-ray diffraction data. Journal of Physical Chemistry B 110 (24) , pp. 11620-11623. 10.1021/jp0624348

Pan, Zhigang, Xu, Mingcan, Cheung, Eugene Y., Platts, James Alexis

, Constable, Edwin C. and Housecroft, Catherine E. 2006. Solid-state structural properties of 2,4,6-trimethoxybenzene derivatives, determined directly from powder X-ray diffraction data in conjunction with other techniques. Journal of Solid State Chemistry 179 (10) , pp. 3214-3223. 10.1016/j.jssc.2006.06.009

Pang, Jiayun, Pu, Jingzhi, Gao, Jiali, Truhlar, Donald G. and Allemann, Rudolf Konrad

2006. Hydride Transfer Reaction Catalyzed by Hyperthermophilic Dihydrofolate Reductase Is Dominated by Quantum Mechanical Tunneling and Is Promoted by Both Inter- and Intramonomeric Correlated Motions. Journal of the American Chemical Society 128 (24) , pp. 8015-8023. 10.1021/ja061585l

Pascu, M., Clarkson, G. J., Kariuki, Benson

and Hannon, M. J. 2006. Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions. Dalton Transactions (22) , pp. 2635-2642. 10.1039/B517643C

Patterson, Richard 2006. Novel organofluorine chemistry: nucleophilic fluorinating agents and potential anticancer compounds. PhD Thesis, Cardiff University.

Pautus, Stephane Mathieu, Yee, Sook Wah, Jayne, Martyn John, Coogan, Michael Peter and Simons, Claire

2006. Synthesis and CYP26A1 inhibitory activity of 1-[benzofuran-2-yl-(4-alkyl/aryl-phenyl)-methyl]-1H-triazoles. Bioorganic & Medicinal Chemistry 14 (11) , pp. 3643-3653. 10.1016/j.bmc.2006.01.018

Pera-Titus, Marc, Llorens, Joan, Tejero, Javier and Cunill, Fidel 2006. Description of the pervaporation dehydration performance of A-type zeolite membranes: a modeling approach based on the Maxwell–Stefan theory. Catalysis Today 118 (1-2) , pp. 73-84. 10.1016/j.cattod.2005.12.006

Pera-Titus, Marc, Mallada, Reyes, Llorens, Joan, Cunill, Fidel and Santamaría, Jesús 2006. Preparation of inner-side tubular zeolite NaA membranes in a semi-continuous synthesis system. Journal of Membrane Science 278 (1-2) , pp. 401-409. 10.1016/j.memsci.2005.11.026

Pope, Simon J. A.

, Burton-Pye, Benjamin P., Berridge, Rory, Khan, Tahir, Skabara, Peter J. and Faulkner, Stephen 2006. Self-assembly of luminescent ternary complexes between seven-coordinate lanthanide(iii) complexes and chromophore bearing carboxylates and phosphonates. Dalton Transactions 2006 (23) , pp. 2907-2912. 10.1039/b600598e

Pope, Simon J. A.

and Laye, Rebecca H. 2006. Design, synthesis and photophysical studies of an emissive, europium based, sensor for zinc. Dalton Transactions (25) , pp. 3108-3113. 10.1039/b605837j

Raja, Robert, Thomas, John Meurig, Xu, Mingcan, Harris, Kenneth David Maclean

, Greenhill-Hooper, Michael and Quill, Kieran 2006. Highly efficient one-step conversion of cyclohexane to adipic acid using single-site heterogeneous catalysts. Chemical Communications- Royal Society of Chemistry (4) , pp. 448-450. 10.1039/B513583D

Randell, K., Stanford, M.J., Clarkson, G.J. and Rourke, J.P.

2006. N-heterocyclic carbenes: Reaction to give anilines. Journal of Organometallic Chemistry 691 (16) , pp. 3411-3415. 10.1016/j.jorganchem.2006.04.034

Reixach, Elisenda. 2006. Studies into the synthesis of primary phosphines for the preparation of macrocycles by template methods. PhD Thesis, Cardiff University.

Rishi, S. K., Kariuki, Benson

, Checker, N. J., Godber, J. and Wright, A. J. 2006. Synthesis and crystal structure of AlH2P3O10 center dot 2H(2)O: A new structure-type for layered acid phosphates. Chemical Communications 2006 (7) , pp. 747-749. 10.1039/B514246F

Robertazzi, Arturo. 2006. Quantum chemical studies of DNA and metal-DNA stuctures : H-bonding and P-stacking. PhD Thesis, Cardiff University.

Robertazzi, Arturo and Platts, James Alexis

2006. A QM/MM Study of Cisplatin-DNA Oligonucleotides: From Simple Models to Realistic Systems. Chemistry - A European Journal 12 (22) , pp. 5747-5756. 10.1002/chem.200501566

Ronson, Tanya K., Lazarides, Theodore, Adams, Harry, Pope, Simon J. A.

, Sykes, Daniel, Faulkner, Stephen, Coles, Simon J., Hursthouse, Michael B., Clegg, William, Harrington, Ross W. and Ward, Michael D. 2006. Luminescent PtII(bipyridyl)(diacetylide) Chromophores with Pendant Binding Sites as Energy Donors for Sensitised Near-Infrared Emission from Lanthanides: Structures and Photophysics of PtII/LnIII Assemblies. Chemistry - a European Journal 12 (36) , pp. 9299-9313. 10.1002/chem.200600698

Rose, Richard P. 2006. Studies of low oxidation state main group complexes: Their syntheses and reactivities. PhD Thesis, Cardiff University.

Ryan, Darragh Joseph. 2006. Heterogeneous asymmetric aziridination of styrene using Cu 2+-exchanged zeolite Y. PhD Thesis, Cardiff University.

Sambrook, Mark R., Curiel, David, Hayes, Elizabeth J., Beer, Paul D., Pope, Simon J. A.

and Faulkner, Stephen 2006. Sensitised near infrared emission from lanthanides via anion-templated assembly of d–f heteronuclear [2]pseudorotaxanes [Letter]. New Journal of Chemistry 30 (8) , pp. 1133-1136. 10.1039/b601017b

Seitz, M., Capacchione, C., Bellemin-Laponnaz, S., Wadepohl, H., Ward, Benjamin David

and Gade, L. H. 2006. Bisoxazolines with one and two sidearms: stereodirecting ligands for copper-catalysed asymmetric allylic oxidations of alkenes. Dalton Transactions (1) , pp. 193-202. 10.1039/B512570G

Sénéchal-David, Katell, Pope, Simon J. A.

, Quinn, Susan, Faulkner, Stephen and Gunnlaugsson, Thorfinnur 2006. Sensitized Near-Infrared Lanthanide Luminescence from Nd(III)- and Yb(III)-Based Cyclen−Ruthenium Coordination Conjugates. Inorganic Chemistry 45 (25) , pp. 10040-10042. 10.1021/ic061706i

Shan, N., Ingram, J. D., Easun, Timothy

, Vickers, S. J., Adams, H., Ward, M. D. and Thomas, J. A. 2006. Kinetically locked, trinuclear Ru-II metallo-macrocycles - synthesis, electrochemical, and optical properties. Dalton Transactions (23) , pp. 2900-2906. 10.1039/B516080B

Sharma, Pratibha

, Tomar, Renu, Sharma, Pankaj

and Tomar, Radha 2006. Sorption and desorption of UO22+, Th4+ and Ru3+ on the synthetic analogue of muscovite. Journal of Radioanalytical and Nuclear Chemistry 268 (2) , pp. 329-336. 10.1007/s10967-006-0169-7

Shibata, Takayuki, Buurma, Niklaas Jan

, Brazier, John A., Thompson, Peter, Haq, Ihtshamul and Williams, David M. 2006. 7,8-Dihydropyrido[2,3-d]pyrimidin-2-one; a bicyclic cytosine analogue capable of enhanced stabilisation of DNA duplexes. Chemical Communications (33) , pp. 3516-3518. 10.1039/b606058g

Smith, Keith, El-Hiti, Gamal A. and Al-Shamali, Mahmoud 2006. Rearrangement of epoxides to carbonyl compounds in the presence of reusable acidic zeolite catalysts under mild conditions. Catalysis Letters 109 (1-2) , pp. 77-82. 10.1007/s10562-006-0060-8

Smith, Keith and El-Hiti, Gamal A. 2006. Regioselective electrophilic aromatic substitution reactions over reusable zeolites. Current Organic Chemistry 10 (13) , pp. 1603-1625.

Smith, Keith, Liu, Chia-Hui and El-Hiti, Gamal A. 2006. A novel supported Katsuki-type (salen) Mn complex for asymmetric epoxidation. Organic & Biomolecular Chemistry 4 (5) , pp. 917-927. 10.1039/B517611P

Solsona, Benjamin Espriu, Garcia, Tomas, Jones, Christopher, Taylor, Stuart H.

, Carley, Albert Frederick and Hutchings, Graham John

2006. Supported gold catalysts for the total oxidation of alkanes and carbon monoxide. Applied Catalysis A General 312 , pp. 67-76. 10.1016/j.apcata.2006.06.016

Song, N., Xuan, Z., Bartley, Jonathan Keith

, Chadwick, D. and Hutchings, Graham John

2006. Oxidation of butane to maleic anhydride using vanadium phosphate catalysts: Comparison of operation in aerobic and anaerobic conditions using a gas-gas periodic flow reactor. Catalysis Letters 106 (3-4) , pp. 127-131. 10.1007/s10562-005-9619-z

Tang, Z-R, Bartley, Jonathan Keith

2006. Preparation of TiO2 using supercritical CO2 antisolvent precipitation (SAS): A support for high activity gold catalysts. Studies in Surface Science and Catalysis 162 , pp. 219-226. 10.1016/S0167-2991(06)80910-9

Taylor, Stuart H.

and Rhodes, C. 2006. The oxidation of carbon monoxide at ambient temperature over mixed copper-silver oxide catalysts. Catalysis Today 114 (4 SPEC) , pp. 357-361. 10.1016/j.cattod.2006.02.073

Thomas, Cerys. 2006. Exploring new routes towards photoactive assemblies. PhD Thesis, Cardiff University.

Tsiouri, M., Hadjiliadis, N., Arslan, T., Kariuki, Benson

and Plakatouras, J. C. 2006. Interactions of trivalent lanthanide cations with tetradentate Schiff bases: New lanthanide(III) complexes from (1S,2S,(NE)-E-1,(NE)-E-2)-N,N '-bis(pyridin-2-ylmethylene)cyclohexane-1,2-diamine. Inorganic Chemistry Communications 9 (4) , pp. 429-432. 10.1016/j.inoche.2005.12.018

Ward, Benjamin David

, Gade, L. H. and Mountford, P. 2006. Lithiation of the diaminopyridine protio-ligand MeC(2-C5H4N){CH2N(H) Mes}(2) (Mes=2,4,6-C6H2Me3). Acta Crystallographica Section E 62 (3) , M472-M474. 10.1107/S1600536806004041

Ward, Benjamin David

, Risler, H., Weitershaus, K., Bellemin-Laponnaz, S., Wadepohl, H. and Gade, L. H. 2006. 2-Aminopyrrolines: New chiral amidinate ligands with a rigid well-defined molecular structure and their coordination to Ti-IV. Inorganic Chemistry -American Chemical Society- 45 (19) , pp. 7777-7787. 10.1021/ic060809y

Williams, Helen Elizabeth, Loades, Victoria Catherine, Claybourn, Mike and Murphy, Damien Martin

2006. Electron Paramagnetic Resonance Spectroscopy Studies of Oxidative Degradation of an Active Pharmaceutical Ingredient and Quantitative Analysis of the Organic Radical Intermediates Using Partial Least-Squares Regression. Analytical Chemistry 78 (2) , pp. 604-608. 10.1021/ac051697f

Williams, I., Kariuki, Benson

, Reeves, K. and Cox, Liam R. 2006. Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta(4)-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton. Organic Letters 8 (20) , pp. 4389-4392. 10.1021/ol061132l

Williams, Jodi T., Bahi, Perdip S., Kariuki, Benson

, Spencer, Neil, Philp, Douglas and Snaith, John S. 2006. Synthesis of 3,4-disubstituted piperidines by carbonyl ene and prins cyclizations: Switching between kinetic and thermodynamic control with Bronsted and Lewis acid catalysts. Journal of Organic Chemistry 71 (6) , pp. 2460-2471. 10.1021/jo052532

Wordingham, Stuart V. 2006. Studies towards the synthesis of the batzelladine alkaloids. PhD Thesis, Cardiff University.

Xu, Chunli

2006. Preparation and characterisation of MgO: a heterogeneous basic catalyst for liquid phase reactions. PhD Thesis, Cardiff University.

Xu, Yi-Jun. 2006. Selective oxidation of hydrocarbons using supported gold, silver, copper and bimetallic catalysts. PhD Thesis, Cardiff University.

Yue, Weimin, Nakano, Kazunori, Bishop, Roger, Craig, Donald C., Harris, Kenneth David Maclean

and Scudder, Marcia L. 2006. Alternative hydrogen bonding modes employed by a helical tubuland diol host molecule. CrystEngComm 8 (3) , pp. 250-256. 10.1039/b600651e

Zhang, Li, Mulrooney, Scott B., Leung, Andy F. K., Zeng, Yibo, Ko, Ben B. C., Hausinger, Robert P. and Sun, Hongzhe 2006. Inhibition of urease by bismuth(III): Implications for the mechanism of action of bismuth drugs. BioMetals 19 (5) , pp. 503-511. 10.1007/s10534-005-5449-0

Zhou, Zhongfu and Harris, Kenneth David Maclean

2006. Design of a molecular quasicrystal. ChemPhysChem 7 (8) , pp. 1649-1653. 10.1002/cphc.200600278

2005

Ahn, Shinbyoung, PrakashaReddy, J., Kariuki, Benson

, Chatterjee, Swati, Ranganathan, Anupama, Pedireddi, V. R., Rao, C. N. R. and Harris, Kenneth David Maclean

2005. Structural rationalisation of co-crystals formed between trithiocyanuric acid and molecules containing hydrogen bonding functionality. Chemistry-a European Journal 11 (8) , pp. 2433-2439. 10.1002/chem.200400340

Alberola, Antonio, Farley, Robert D., Humphrey, Simon M., McManus, Gordon D., Murphy, Damien Martin

and Rawson, Jeremy M. 2005. EPR studies on the thiophenodithiazolyl radical, C4H2S3N˙. Dalton Transactions (24) , pp. 3838-3845. 10.1039/b508912c

Alcock, N. W. and Rourke, J. P.

2005. 2,6-Bis[2,4-bis(heptyloxy)phenyl]pyridine. Acta Crystallographica Section E 61 , O368-O369. 10.1107/S1600536805001248

Aldridge, Simon, Kays, Deborah L., Bunn, Natalie R., Coombs, Natalie D. and Ooi, Li-ling 2005. Structures of the metallated trihalogallate and indate ions [(η5-C5Me5)Fe(CO)2InI 3]- and [(η5-C5H 5)Fe(CO)2GaI2Br-]. Main Group Metal Chemistry 28 (4) , pp. 201-206. 10.1515/MGMC.2005.28.4.201

Aliev, Abil E., Harris, Kenneth David Maclean

and Champkin, Philip H. 2005. Structural and dynamic aspects of hydrogen-bonded complexes and inclusion compounds containing α,ω-dicyanoalkanes and urea, investigated by solid-state 13C and 2H NMR techniques. Journal of Physical Chemistry B 109 (49) , pp. 23342-23350. 10.1021/jp053849g

Antcliff, Karen L., Baker, Robert James, Jones, Cameron, Murphy, Damien Martin

and Rose, Richard Peter 2005. Reactions of a Gallium(II)-Diazabutadiene Dimer, [{{[(H)C(But)N]2}GaI}2], with [ME(SiMe3)2] (M = Li or Na; E = N, P, or As): Structural, EPR, and ENDOR Characterization of Paramagnetic Gallium(III) Pnictide Complexes. Inorganic Chemistry 44 (6) , pp. 2098-2105. 10.1021/ic0486825

Arrica, Maria A. 2005. Synthesis and reactivity of aryl iodo difluorides. PhD Thesis, Cardiff University.

Baber, R. Angharad, Collard, Simon, Hooper, Mark, Orpen, A. Guy, Pringle, Paul G., Wilkinson, Matthew J. and Wingad, Richard L. 2005. Bulky triarylarsines are effective ligands for palladium catalysed Heck olefination. Dalton Transactions 2005 (8) , pp. 1491-1498. 10.1039/b417910b

Baber, R. Angharad, Orpen, A. Guy, Pringle, Paul G., Wilkinson, Matthew J. and Wingad, Richard L. 2005. Special effects of ortho-isopropylphenyl groups. Diastereoisomerism in platinum(ii) and palladium(ii) complexes of helically chiral PAr3ligands. Dalton Transactions 2005 (4) , pp. 659-667. 10.1039/b416525j

Bacciu, Deborha, Cavell, Kingsley John, Fallis, Ian Andrew

and Ooi, Liling 2005. Platinum-Mediated Oxidative Addition and Reductive Elimination of Imidazolium Salts at C4 and C5. Angewandte Chemie International Edition 44 (33) , pp. 5282-5284. 10.1002/anie.200500884

Baghurst, Rebecca Elizabeth 2005. Ligand frameworks for olefin polymerisation catalysts. PhD Thesis, Cardiff University.

Bagley, Mark Christopher, Chapaneri, Krishna, Dale, James W., Xiong, Xin and Bower, Justin 2005. One-Pot Multistep Bohlmann-Rahtz Heteroannulation Reactions: Synthesis of Dimethyl Sulfomycinamate. The Journal of Organic Chemistry 70 (4) , pp. 1389-1399. 10.1021/jo048106q

Bagley, Mark Christopher, Jenkins, Robert Leyshon, Lubinu, M. Caterina, Mason, Christopher and Wood, Robin 2005. A simple continuous flow microwave reactor. Journal of organic chemistry 70 (17) , pp. 7003-7006. 10.1021/jo0510235

Baker, Robert James, Farley, Robert Dexter, Jones, Cameron, Mills, David Paul, Kloth, Marc and Murphy, Damien Martin

2005. An EPR and ENDOR Investigation of a Series of Diazabutadiene-Group 13 Complexes. Chemistry-a European Journal 11 (10) , pp. 2972-2982. 10.1002/chem.200401103

Ball, Graham E., Darwish, Tamim A., Geftakis, Spili, George, Michael W., Lawes, Douglas J., Portius, Peter and Rourke, Jonathan P.

2005. Characterization of an organometallic xenon complex using NMR and IR spectroscopy. PNAS 102 (6) , pp. 1853-1858. 10.1073/pnas.0406527102

Bassett, Andrew P., Van Deun, Rik, Nockemann, Peter, Glover, Peter B., Kariuki, Benson

, Van Hecke, Kristof, Van Meervelt, Luc and Pikramenou, Zoe 2005. Long-lived near-infrared luminescent lanthanide complexes of imidodiphosphinate "shell" ligands. Inorganic Chemistry 44 (18) , pp. 6140-6142. 10.1021/ic0482436

Bausach, M., Pera-Titus, M., Fité, C., Cunill, F., Izquierdo, J. F., Tejero, J. and Iborra, M. 2005. Enhancement of gas desulfurization with hydrated lime at low temperature by the presence of NO2. Industrial & Engineering Chemistry Research 44 (24) , pp. 9040-9049. 10.1021/ie050713w

Bausach, M., Pera-Titus, M., Fité, C., Cunill, F., Izquierdo, J.-F., Tejero, J. and Iborra, M. 2005. Kinetic modeling of the reaction between hydrated lime and SO2 at low temperature. AIChE Journal 51 (5) , pp. 1455-1466. 10.1002/aic.10403

Bausach, Marta, Pera-Titus, Marc, Tejero, Javier and Cunill, Fidel 2005. AFM observation of Ca(OH)2(0001) surfaces reacted with SO2: role of water vapour on product morphology. Chemistry Letters 35 (1) , pp. 24-25. 10.1246/cl.2006.24

Belloni, Maura, Kariuki, Benson

, Manickam, M., Wilkie, John and Preece, Jon A. 2005. Design of potentially photorefractive liquid crystalline materials: Derivatives of 3,6-disubstituted carbazole. Crystal Growth & Design 5 (4) , pp. 1443-1450. 10.1021/cg049580s

Beshara, Cory S., Hall, Adrian, Jenkins, Robert J., Jones, Kerri L, Jones, Teyrnon, Killeen, Niall M., Taylor, Paul H., Thomas, Stephen P. and Tomkinson, Nicholas Charles Oliver 2005. A General Method for the α-acyloxylation of Carbonyl Compounds. Organic Letters 7 (25) , pp. 5729-5732. 10.1021/ol052474e

Beutler, Ariane, Davies, Christopher D., Elliott, Mark Christopher

, Galea, Natasha, Long, Matthew S., Willock, David James

and Wood, John L. 2005. Diastereoselective Dimerisation of Alkenylthiazolines: A Combined Synthetic and Computational Study. European Journal of Organic Chemistry 2005 (17) , pp. 3791-3800. 10.1002/ejoc.200500360

Bianchi, C. L., Canton, P., Dimitratos, Nikolaos

, Porta, F. and Prati, L. 2005. Selective oxidation of glycerol with oxygen using mono and bimetallic catalysts based on Au, Pd and Pt metals. Catalysis Today 102-3 , pp. 203-212. 10.1016/j.cattod.2005.02.003

Bichenkova, Elena V., Yu, Xuan, Bhadra, Pranab, Heissigerova, Helena, Pope, Simon J. A.

, Coe, Benjamin J., Faulkner, Stephen and Douglas, Kenneth T. 2005. DNA Mismatch Detection by Resonance Energy Transfer between Ruthenium(II) and Osmium(II) Tris(2,2‘-bipyridyl) Chromophores. Inorganic Chemistry 44 (12) , pp. 4112-4114. 10.1021/ic050586w

Bowker, Michael

, Morgan, Chris, Perkins, Neil, Holroyd, Richard, Fourre, Elodie, Grillo, Federico and MacDowall, Alexander 2005. Ethene Adsorption, Dehydrogenation and Reaction with Pd(110): Pd as a Carbon 'Sponge'. Journal of Physical Chemistry B 109 (6) , pp. 2377-2386. 10.1021/jp0402232

Bowker, Michael

, Stone, Peter, Morrall, Peter, Smith, Rupert, Bennett, Roger, Perkins, Neil, Kvon, Ren, Pang, Chi, Fourre, Elodie and Hall, Matthew Scott 2005. Model catalyst studies of the strong metal-support interaction: surface structure identified by STM on Pd nanoparticles on TiO2(110). Journal of catalysis 234 (1) , pp. 172-181. 10.1016/j.jcat.2005.05.024

Boyd, C. L., Toupance, T., Tyrrell, B. R., Ward, Benjamin David

, Wilson, C. R., Cowley, A. R. and Mountford, P. 2005. Synthesis, structures, and reactions of titanium, scandium, and yttrium complexes of diamino-bis(phenolate) ligands: Monomeric, dimeric, neutral, cationic, and multiply bonded derivatives. Organometallics 24 (2) , pp. 309-330. 10.1021/om0493661

Bresner, Christopher 2005. Synthesis and anion coordination chemistry of novel mono- and bifunctional borylmetallocenes. PhD Thesis, Cardiff University.

Budd, Peter M., McKeown, Neil B. and Fritsch, Detlev 2005. Free volume and intrinsic microporosity in polymers. Journal of Materials Chemistry 15 (20) , pp. 1977-1986. 10.1039/b417402j

Budd, Peter M., Msayib, Kadhum, Tattershall, Carin E., Ghanem, Bader S., Reynolds, Kevin J., McKeown, Neil B. and Fritsch, Detlev 2005. Gas separation membranes from polymers of intrinsic microporosity. Journal of Membrane Science 251 (1-2) , pp. 263-269. 10.1016/j.memsci.2005.01.009

Bunn, Natalie R., Aldridge, Simon, Kays, Deborah L.

, Coombs, Natalie D., Day, Joanna K., Ooi, Li-ling, Coles, Simon J. and Hursthouse, Michael B. 2005. Toward cationic gallane- and indanediyl complexes: synthetic approaches to three-coordinate halogallyl and -indyl precursors. Organometallics 24 (24) , 5879–5890. 10.1021/om050630f

Bunn, Natalie R., Aldridge, Simon, Kays, Deborah L.

, Coombs, Natalie D., Rossin, Andrea

, Day, Joanna K., Jones, Cameron and Ooi, Li-ling 2005. Halide abstraction as a route to cationic transition-metal complexes containing two-coordinate gallium and indium ligand systems. Organometallics 24 (24) , pp. 5891-5900. 10.1021/om0506318

Bunn, Natalie R. 2005. Synthetic and structural studies of low coordinate group 13 ligand systems. PhD Thesis, Cardiff University.

Bushell, James Andrew, Claybourn, Mike, Williams, Helen E. and Murphy, Damien Martin

2005. An EPR and ENDOR study of γ- and β-radiation sterilization in poly (lactide-co-glycolide) polymers and microspheres. Journal of Controlled Release 110 (1) , pp. 49-57. 10.1016/j.jconrel.2005.09.009

Bushell, James, Carley, Albert Frederick, Coughlin, Mark, Davies, Philip Rosser

, Edwards, Dyfan, Morgan, David John

and Parsons, Martin 2005. The Reactive Chemisorption of Alkyl Iodides at Cu(110) and Ag(111) Surfaces: A Combined STM and XPS Study. Journal of Physical Chemistry B 109 (19) , pp. 9556-9566. 10.1021/jp0513465

Carley, Albert Frederick, Davies, Philip Rosser

, Edwards, Dyfan, Jones, Rhys Vaughan and Parsons, Martin 2005. Molecularly resolved studies of the reaction of pyridine and dimethylamine with oxygen at a Cu(110) surface. Topics in Catalysis 36 (1-4) , pp. 21-32. 10.1007/s11244-005-7859-1

Carley, Albert Frederick, Davies, Philip Rosser

and Roberts, Meirion Wyn 2005. Activation of oxygen at metal surfaces. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 363 (1829) , pp. 829-846. 10.1098/rsta.2004.1544

Carley, Albert Frederick, Davies, Philip Rosser

, Roberts, Meirion Wyn and Shah, Aarti M. 2005. A reactive oxygen state at a barium promoted Au (100) surface: the oxidation of ethene at cryogenic temperatures. Catalysis Letters 101 (3-4) , pp. 137-139. 10.1007/s10562-005-4879-1

Carr, Jenny M., Duggan, Peter James, Humphrey, David G., Platts, James Alexis

and Tyndall, Edward M. 2005. Quaternary ammonium arylspiroborate esters as organo-soluble, environmentally benign wood protectants. Australian Journal of Chemistry 58 (12) , pp. 901-911. 10.1071/CH05226

Clarke, Matthew L., Ellis, Dianne, Mason, Kate L., Orpen, A. Guy, Pringle, Paul G., Wingad, Richard L., Zaher, Damien A. and Baker, R. Tom 2005. The electron-poor phosphines P{C6H3(CF3)2-3,5}3 and P(C6F5)3 do not mimic phosphites as ligands for hydroformylation. A comparison of the coordination chemistry of P{C6H3(CF3)2-3,5}3 and P(C6F5)3 and the unexpectedly low hydroformylation activity of their rhodium complexes. Dalton Transactions 2005 (7) , pp. 1294-1300. 10.1039/b418193j

Clement, Nicolas David Stephane 2005. Zero valent n-heterocyclic carbene complexes of nickel, palladium and platinum : synthesis, structure, reaction chemistry and catalysis. PhD Thesis, Cardiff University.

Coombs, Natalie D., Aldridge, Simon, Wiltshire, Gavin, Kays, Deborah L.

, Bresner, Christopher and Ooi, Li-ling 2005. Complementary anion binding by bidentate boron-containing Lewis acids. Journal of Organometallic Chemistry 690 (11) , pp. 2725-2731. 10.1016/j.jorganchem.2005.01.015

Coquet, Rudy. 2005. Heterogeneous catalytic oxidation: A theoretical study. PhD Thesis, Cardiff University.

Coquet, Rudy and Willock, David James

2005. The (010) surface of α-MoO3, a DFT + U study. Physical chemistry chemical physics 7 (22) , pp. 3819-3828. 10.1039/b511044k

Cremeens, Matthew E., Hughes, Thomas S. and Carpenter, Barry K.

2005. Mechanistic studies on the cyclization of (Z)-1,2,4-heptatrien-6-yne in methanol: a possible nonadiabatic thermal reaction. Journal of the American Chemical Society 127 (18) , pp. 6652-6661. 10.1021/ja0445443

Davies, Christopher Alan 2005. A-aryl quaternary centres via asymmetric vicarious nucleophilic substitution. PhD Thesis, Cardiff University.

Davies, Graham M., Adams, Harry, Pope, Simon J. A.

, Faulkner, Stephen and Ward, Michael D. 2005. Photophysical properties of Pr(iii) and Er(iii) complexes of poly(pyrazolyl)borates. Photochemical & Photobiological Sciences 4 (10) , pp. 829-834. 10.1039/b508382f

Davies, Graham M., Pope, Simon J. A.

, Adams, Harry, Faulkner, Stephen and Ward, Michael D. 2005. Structural and Photophysical Properties of Coordination Networks Combining [Ru(bipy)(CN)4]2-Anions and Lanthanide(III) Cations: Rates of Photoinduced Ru-to-Lanthanide Energy Transfer and Sensitized Near-Infrared Luminescence. Inorganic Chemistry 44 (13) , pp. 4656-4665. 10.1021/ic050512k

Dias, Luiz C., Gonzaga De Oliveira, Luciana, Sousa, Márcio A. de, Ellensohn, Ricardo M. and Krapcho (editor), Paul 2005. Total synthesis of the potent immunosuppressant (−)-Pironetin. Arkivoc 2005 (6) , pp. 62-87. 10.3998/ark.5550190.0006.607

Dias, Luiz C., Gonzaga De Oliveira, Luciana, Vilcachagua, Janaína D. and Nigsch, Florian 2005. Total synthesis of (+)-crocacin D. The Journal of Organic Chemistry 70 (6) , pp. 2225-2234. 10.1021/jo047732k

Dimitratos, Nikolaos

, Porta, F. and Prati, L. 2005. Au, Pd (mono and bimetallic) catalysts supported on graphite using the immobilisation method: Synthesis and catalytic testing for liquid phase oxidation of glycerol. Applied Catalysis A: General 291 (1-2) , pp. 210-214. 10.1016/j.apcata.2005.01.044

Dimitratos, Nikolaos

, Porta, F., Prati, L. and Villa, A. 2005. Synergetic effect of platinum or palladium on gold catalyst in the selective oxidation of D-sorbitol. Catalysis Letters 99 (3-4) , pp. 181-185. 10.1007/s10562-005-2114-8

Dimitratos, Nikolaos

and Prati, L. 2005. Gold based bimetallic catalysts for liquid phase applications. Gold Bulletin 38 (2) , pp. 73-77. 10.1007/BF03215236

Dupain, Xander, Krul, Ralph A., Schaverien, Colin J., Makkee, Michiel and Moulijn, Jacob 2005. Production of clean transportation fuels and lower olefins from Fischer-Tropsch synthesis waxes under fluid catalytic cracking conditions. The potential of highly paraffinic feedstocks for FCC. Applied Catalysis B Environmental 63 (3-4) , pp. 277-295. 10.1016/j.apcatb.2005.10.012

Dutta, Argha. 2005. New inexpensive polymer supported reagents based on polysiloxanes. PhD Thesis, Cardiff University.

Edwards, Jennifer K.

, Solsona, Benjamin, Landon, Philip, Carley, Albert F., Herzing, Andrew, Watanabe, Masashi, Kiely, Christopher J.

2005. Direct synthesis of hydrogen peroxide from H2 and O2 using Au–Pd/Fe2O3catalysts. Journal of Materials Chemistry 15 (43) , pp. 4595-4600. 10.1039/b509542e

Edwards, Jennifer Kelly

, Solsona, Benjamin Espriu, Landon, Philip, Carley, Albert Frederick, Herzing, Andrew, Kiely, Christopher John

2005. Direct synthesis of hydrogen peroxide from H2 and O2 using TiO2-supported Au-Pd catalysts. Journal of Catalysis 236 (1) , pp. 69-79. 10.1016/j.jcat.2005.09.015

El-Hiti, Gamal A. and Abdel-Megeed, Mohamed F. 2005. Synthesis of glycosides containing quinazolin-4(3H)-one ring System. Heterocyles 65 (12) , pp. 3007-3041. 10.3987/REV-05-602

Elliott, Mark Christopher

2005. Imines and their N-substituted derivatives: hydrazones and other N,N-derivatives including diazo compounds. Katritzky, Alan R. and Taylor, Richard J. K., eds. Comprehensive Organic Functional Group Transformations II, Vol. 3. Amsterdam: Elsevier, pp. 469-523. (10.1016/B0-08-044655-8/00057-X)

Elliott, Mark Christopher

and El-Sayed, Nahed Nasser 2005. Stereodivergent radical cyclisation reactions of cyclohexa-1,4-dienes. Tetrahedron Letters 46 (17) , pp. 2957-2959. 10.1016/j.tetlet.2005.03.042

Elliott, Mark

, Wood, John L. and Wordingham, Stuart V. 2005. Alkylidenepyrrolidines: Synthesis and Applications in Heterocyclic Chemistry. Trends in Heterocyclic Chemistry 10 , pp. 73-95.

Enache, Dan Ion, Hutchings, Graham John

, Natividad, R., Raymahasy, S., Winterbottom, J. M. and Stitt, E. H. 2005. Experimental evaluation of a three-phase downflow capillary reactor. Industrial and Engineering Chemistry Research 44 (16) , pp. 6295-6303. 10.1021/ie049140y

Enache, Dan Ion, Hutchings, Graham John

and Stitt, E. H. 2005. The hydrogenation of isophorone to trimethyl cyclohexanone using the downflow single capillary reactor. Catalysis Today 105 (3-4) , pp. 569-573. 10.1016/j.cattod.2005.06.013

Faulkner, Stephen, Pope, Simon J. A.

and Burton-Pye, Benjamin P. 2005. Lanthanide Complexes for Luminescence Imaging Applications. Applied Spectroscopy Reviews 40 (1) , pp. 1-31. 10.1081/ASR-200038308

Fernandez, Cristina Carcedo 2005. Chiral diphosphine ligands derived from 1, 4:3, 6-dianhydro-d-mannitol: synthesis, co-ordination to transition metals and catalytic applications. PhD Thesis, Cardiff University.

Filipek, Renata Elzbieta, Potempa, Jan and Bochtler, Matthias

2005. A comparison of staphostatin B with standard mechanism serine protease inhibitors. Journal of Biological Chemistry 280 (15) , pp. 14669-14674. 10.1074/jbc.M411792200

Francis, Matthew David, Holtel, Christian, Jones, Cameron and Rose, Richard Peter 2005. η6-triphosphabenzene, η5-triphosphacyclohexadienyl, and η5-diphosphacyclopentadienyl complexes of Group 8 and 9 metals: heterocycle transformations at the metal center. Organometallics 24 (17) , pp. 4216-4225. 10.1021/om0503489

Garcia, Tomas, Solsona, Benjamin Espriu, Cazorla-Amorós, Diego, Linares-Solano, Angel and Taylor, Stuart H.

2005. Total oxidation of volatile organic compounds by vanadium promoted palladium-titania catalysts: Comparison of aromatic and polyaromatic compounds. Applied Catalysis B Environmental 62 (1-2) , pp. 66-76. 10.1016/j.apcatb.2005.06.016

Garcia, Tomas, Solsona, Benjamin Espriu and Taylor, Stuart H.

2005. Nano-crystalline ceria catalysts for the abatement of polycyclic aromatic hydrocarbons. Catalysis Letters 105 (3-4) , pp. 183-189. 10.1007/s10562-005-8689-2

Gibbs, Timothy J. K. and Tomkinson, Nicholas Charles Oliver 2005. Aminocatalytic preparation of bisindolylalkanes. Organic & Biomolecular Chemistry 3 (22) , pp. 4043-4045. 10.1039/b513394g

González-Lorenzo, Marina, Platas-Iglesias, Carlos, Avecilla, Fernando, Faulkner, Stephen, Pope, Simon J. A.

, de Blas, Andrés and Rodríguez-Blas, Teresa 2005. Structural and Photophysical Properties of Lathanide(III) Complexes with a Novel Octadentate Iminophenolate Bibracchial Lariat Ether. Inorganic Chemistry 44 (12) , pp. 4254-4262. 10.1021/ic048172a

Gossage, Robert A., Jastrzebski, Johann T. B. H. and Van Koten, Gerard 2005. Hetero-Aggregate Compounds of Aryl and Alkyl Lithium Reagents: A Structurally Intriguing Aspect of Organolithium Chemistry. Angewandte Chemie International Edition 44 (10) , pp. 1448-1454. 10.1002/anie.200462103

Griffiths, Peter Charles, Cote, M., James, R., Rogueda, Philippe G., Morgan, Ian Rhys

and Knight, David William 2005. Gelation of fluorinated liquids by non-fluorinated low-molecular-mass molecules. Chemical Communications (31) , pp. 3998-4000. 10.1039/b505938k

Guerrero, Lucia, Smart, Oliver S., Weston, Chris J., Allemann, Rudolf Konrad

and Woolley, G. Andrew 2005. Photochemical Regulation of DNA-Binding Specificity of MyoD. Angewandte Chemie International Edition 44 (47) , pp. 7778-7782. 10.1002/anie.200502666

Guerrero, Lucia, Smart, Oliver S., Woolley, G. Andrew and Allemann, Rudolf Konrad

2005. Photocontrol of DNA Binding Specificity of a Miniature Engrailed Homeodomain. Journal of the American Chemical Society 127 (44) , pp. 15624-15629. 10.1021/ja0550428

Guo, Fang and Harris, Kenneth David Maclean

2005. Structural understanding of a molecular material that is accessed only by a solid-state desolvation process: the scope of modern powder X-ray diffraction techniques. Journal of the American Chemical Society 127 (20) , pp. 7314-7315. 10.1021/ja050733p

Haas, Jurgen, Bissmire, Stewart and Wirth, Thomas

2005. Iodine Monochloride-Amine Complexes: An Experimental and Computational Approach to New Chiral Electrophiles. Chemistry - A European Journal 11 (19) , pp. 5777-5785. 10.1002/chem.200500507

Harris, Kenneth David Maclean

and Thomas, John Meurig 2005. Prospects for exploiting 4D ultrafast electron microscopy in solid-state organic and biological chemistry. Crystal Growth and Design 5 (6) , pp. 2124-2130. 10.1021/cg050367l

Haskins, Charlotte M. and Knight, David William 2005. A total synthesis of (±)-α-cyclopiazonic acid using a cationic cascade. Chemical Communications (25) , pp. 3162-3164. 10.1039/b417625c

Hossain, G.M. Golzar. 2005. Syntheses and structural studies of metal complexes of sulfa drugs. PhD Thesis, Cardiff University.

Huang, H., Young, N., Williams, B. P., Taylor, Stuart H.

2005. COS hydrolysis using zinc-promoted alumina catalysts. Catalysis Letters 104 (1-2) , pp. 17-21. 10.1007/s10562-005-7430-5

Hughes, Mathew D, Xu, Yi-Jun, Jenkins, Patrick, McMorn, Paul, Landon, Philip, Enache, Dan Ion, Carley, Albert Frederick, Attard, Gary Anthony, Hutchings, Graham John

, King, Frank, Stitt, E. Hugh, Johnston, Peter, Griffin, Ken G. and Kiely, Christopher John

2005. Tunable gold catalysts for selective hydrocarbon oxidation under mild conditions. Nature 437 (7062) , pp. 1132-1135. 10.1038/nature04190

Jackson, Lauren E., Kariuki, Benson

, Smith, Mark E., Barralet, Jake E. and Wright, Adrian J. 2005. Synthesis and structure of a calcium polyphosphate with a unique criss-cross arrangement of helical phosphate chains. Chemistry of Materials 17 (18) , pp. 4642-4646. 10.1021/cm050984x

Jeffery, Edward L., Mann, Rajinder K., Hutchings, Graham John

2005. A density functional theory study of the adsorption of acetone to the (111) surface of Pt: Implications for hydrogenation catalysis. Catalysis Today 105 (1) , pp. 85-92. 10.1016/j.cattod.2005.04.013

Jenkins, D. J., Alabdulrahman, A. M. S., Attard, Gary Anthony, Griffin, K. G., Johnston, P. and Wells, Peter Bernard 2005. Enantioselectivity and catalyst morphology: step and terrace site contributions to rate and enantiomeric excess in Pt-catalysed ethyl pyruvate hydrogenation. Journal of Catalysis 234 (1) , pp. 230-239. 10.1016/j.jcat.2005.06.017

Jenkins, Patrick L. 2005. Electrochemical and catalytic investigation of catalysis by gold. PhD Thesis, Cardiff University.

Joly, K. M., Kariuki, Benson

, Coe, D. M. and Cox, L. R. 2005. One-pot synthesis of 1,1 '-bis(2-amino)ethyl-Substituted ferrocenes from the reaction of spiro[2.4]hepta-4,6-diene with lithium amides: An expedient route into functionalized ferrocenophanes. Organometallics 24 (3) , pp. 358-366. 10.1021/om049222m

Jones, Mark 2005. Design and synthesis of novel lanthanide complexes for luminescent devices. PhD Thesis, Cardiff University.

Jones, Cameron James, Junk, Peter C., Platts, James Alexis

, Rathmann, Daniel and Stasch, Andreas

2005. Synthesis, characterisation and theoretical studies of amidinato-indium(I) and thallium(I) complexes: isomers of neutral group 13 metal(I) carbene analogues. Dalton Transactions (15) , pp. 2497-2499. 10.1039/B507242E

Kays, Deborah L.

, Day, Joanna K., Ooi, Li-Ling and Aldridge, Simon 2005. Cationic terminal borylene complexes: a synthetic and mechanistic investigation of m=b metathesis chemistry. Angewandte Chemie - International Edition 44 (45) , pp. 7457-7460. 10.1002/anie.200502343

Kays, Deborah L.

, Rossin, Andrea

, Day, Joanne K., Ooi, Li-Ling and Aldridge, Simon 2005. Synthetic and reaction chemistry of heteroatom stabilized boryl and cationic borylene complexes. Dalton Transactions (2) , pp. 399-410. 10.1039/B512275A

Khokhar, Shaista S. 2005. Synthesis of bifunctional alkenes for nucleophile-controlled selenocyclizations. PhD Thesis, Cardiff University.

Kitchin, Simon J., Tutoveanu, Gianina, Steele, Matthew R., Porter, Elaine L. and Harris, Kenneth David Maclean

2005. Significantly contrasting solid state dynamics of the racemic and enantiomerically pure crystalline forms of an amino acid. Journal of Physical Chemistry B 109 (48) , pp. 22808-22813. 10.1021/jp0532418

Korza, Henryk J. and Bochtler, Matthias

2005. Pseudomonas aeruginosa LD-carboxypeptidase, a serine peptidase with a Ser-His-Glu triad and a nucleophilic elbow. Journal of Biological Chemistry 280 (49) , pp. 40802-40812. 10.1074/jbc.M506328200

Kreutzer, Michiel T., Kapteijn, Freek, Moulijn, Jacob and Heiszwolf, Johan J. 2005. Multiphase monolith reactors: chemical reaction engineering of segmented flow. Chemical Engineering Science 60 (22) , pp. 5895-5916. 10.1016/j.ces.2005.03.022

Kruithof, Cornelius A., Casado, Miguel A., Guillena, Gabriela, Egmond, Maarten R., van der Kerk-van Hoof, Anca, Heck, Albert J. R., Gebbink, Robertus J. M. Klein and Van Koten, Gerard 2005. Lipase Active-Site-Directed Anchoring of Organometallics: Metallopincer/Protein Hybrids. Chemistry - A European Journal 11 (23) , pp. 6869-6877. 10.1002/chem.200500671

Lane, Rhian Jane. 2005. Hybrid phosphine-carbene ligands and their use in homogeneous catalysis. PhD Thesis, Cardiff University.

Lee, Sang-Ok, Kariuki, Benson

2005. Hydrogen-bonded chains of alpha,omega-diaminoalkane and alpha,omega-dihydroxyalkane guest molecules lead to disrupted tunnel structures in urea inclusion compounds. New Journal of Chemistry 29 (10) , pp. 1266-1271. 10.1039/B502004M

Lowes, T. A., Ward, Benjamin David

, Whannel, R. A., Dubberley, S. R. and Mountford, P. 2005. A new diamido-amine ligand based on three-carbon atom "arms": synthesis, structures and polymerisation capability of zirconium derivatives of MeN(CH2CH2CH2NSiMe3)(2). Chemical Communications- Royal Society of Chemistry (1) , pp. 113-115. 10.1039/B412381F

Makhseed, Saad, McKeown, Neil B., Msayib, Kadhum and Bumajdad, Ali 2005. Inducing solid-state isolation of the phthalocyanine macrocycle by its incorporation within rigid, randomly shaped oligomers. Journal of Materials Chemistry 15 (18) , pp. 1865-1870. 10.1039/b416387g

Mazurenka, M., Wada, R., Shillings, A.J. L., Butler, T.J. A., Beames, Joseph

and Orr-Ewing, A. J. 2005. Fast fourier transform analysis in cavity ring-down spectroscopy: application to an optical detector for atmospheric NO2. Applied Physics B Lasers and Optics 81 (1) , pp. 135-141. 10.1007/s00340-005-1834-1

McKeown, Neil, Budd, Peter M., Msayib, Kadhum, Ghanem, Bader S., Kingston, Helen J., Tattershall, Carin E., Makhseed, Saad, Reynolds, Kevin J. and Fritsch, Detlev 2005. Polymers of intrinsic microporosity (PIMs): Bridging the void between microporous and polymeric materials. Chemistry - a European Journal 11 (9) , pp. 2610-2620. 10.1002/chem.200400860

McKeown, Neil B., Li, Hong and Helliwell, Madeleine 2005. A non-planar, hexadeca-substituted, metal-free phthalocyanine. Journal of Porphyrins and Phthalocyanines 09 (12) , pp. 841-845. 10.1142/S1088424605000964

Mella, Massimo 2005. Improved importance sampling distribution for rate constant calculation. The Journal of Chemical Physics 122 (20) , 204106. 10.1063/1.1903903

Merrick, Ian, Inglesfield, John Ewan and Attard, Gary Anthony 2005. Electron field emission from surfaces with steps. Physical review. B, Condensed matter and materials physics. 72 (3) , 033403. 10.1103/PhysRevB.72.033403

Merrick, Ian 2005. Embedding at electrode surfaces. PhD Thesis, Cardiff University.

Morgan, Christian Rory. 2005. Surface science studies of the reaction of molecules of relevance to VAM synthesis using Pd and Pd/Au single crystal surfaces. PhD Thesis, Cardiff University.

Morgan, Ian Rhys. 2005. Recoverable ligands for the Sharpless Asymmetric Epoxidation. PhD Thesis, Cardiff University.

Moulijn, Jacob and Stankiewicz, Andrzej 2005. Process Intensification. Industrial & Engineering Chemistry Research 41 (8) , pp. 1920-1924. 10.1021/ie011025p

Nevitt, Paul 2005. Photoemission studies of the light actinides. PhD Thesis, Cardiff University.

Pan, Zhigang, Cheung, Eugene Y., Harris, Kenneth David Maclean

, Constable, Edwin C. and Housecroft, Catherine E. 2005. A case study in direct-space structure determination from powder X-ray diffraction data: Finding the hydrate structure of an organic molecule with significant conformational flexibility. Crystal Growth and Design 5 (6) , pp. 2084-2090. 10.1021/cg050212d

Pan, Zhigang, Cheung, Eugene Y., Harris, Kenneth David Maclean

, Constable, Edwin C. and Housecroft, Catherine E. 2005. Structural properties of methoxy derivatives of benzyl bromide, determined from powder X-ray diffraction data. Powder Diffraction 20 (4) , pp. 345-352. 10.1154/1.2135789

Paul, Alison

, Griffiths, Peter Charles and Rogueda, Philippe G. 2005. Explaining the Phase Behaviour of the Pharmaceutically Relevant Polymers Poly(Ethylene Glycol) and Poly(Vinyl Pyrrolidone) in Semi-Fluorinated Liquids. Journal of Pharmacy and Pharmacology 57 (11) , pp. 1383-1388. 10.1211/jpp.57.11.0002

Pera-Titus, Marc, Llorens, Joan, Cunill, Fidel, Mallada, Reyes and Santamaría, Jesús 2005. Preparation of zeolite NaA membranes on the inner side of tubular supports by means of a controlled seeding technique. Catalysis Today 104 (2-4) , pp. 281-287. 10.1016/j.cattod.2005.03.042

Pope, Simon J. A.

, Coe, Benjamin J., Faulkner, Stephen and Laye, Rebecca H. 2005. Metal-to-ligand charge-transfer sensitisation of near-infrared emitting lanthanides in trimetallic arrays M2Ln (M = Ru, Re or Os; Ln = Nd, Er or Yb). Dalton Transactions 2005 (8) , pp. 1482-1490. 10.1039/b500849b

Richter, Gerald, Weber, Stefan, Römisch, Werner, Bacher, Adelbert, Fischer, Markus and Eisenreich, Wolfgang 2005. Photochemically induced dynamic nuclear polarization in a C450A mutant of the LOV2 domain of the Avena sativa blue-light receptor phototropin. Journal of the American Chemical Society 127 (49) , pp. 17245-17252. 10.1021/ja053785n

Robertazzi, Arturo and Platts, James Alexis

2005. Binding of transition metal complexes to guanine and guanine-cytosine: hydrogen bonding and covalent effects. Journal of Biological Inorganic Chemistry 10 (8) , pp. 854-866. 10.1007/s00775-005-0034-0

Rujas, Javier Marti. 2005. Molecular transport, reactivity and structure in organic crystals. PhD Thesis, Cardiff University.

Sayed, S.A., Rabie, K.A. and Salama, Ibrahim El Moaty 2005. Studies on europium separation from a middle rare earth concentrate by in situ zinc reduction technique. Separation and Purification Technology 46 (3) , pp. 145-154. 10.1016/j.seppur.2005.05.006

Seeber, G., Kariuki, Benson

, Cronin, Lee and Kogerler, P. 2005. Synthesis, structure and magnetism of a linear Cu-Cl-Cu entity found in [(Cu(tachH)(tach))(2)(mu-Cl)](5+). Polyhedron 24 (13) , pp. 1651-1655.

Sharma, R. P., Bala, R., Sharma, R., Kariuki, Benson

, Rychlewska, U. and Warzajtis, B. 2005. Role of second-sphere coordination in anion binding: Synthesis, characterization and X-ray structure of hexaamminecobalt(III) chloride hydrogen phthalate trihydrate and sodium hexaamminecobalt(III) benzoate monohydrate. Journal of Molecular Structure 748 (1-3) , pp. 143-151. 10.1016/j.molstruc.2005.03.028

Shavaleev, N. M., Bell, Z. R., Easun, Timothy

, Tutkaite, R., Swanson, L. and Ward, M. D. 2005. Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties (January, pg 3678, 2004) [Correction]. Dalton Transactions (3) , p. 617. 10.1039/B500459B

Simm, Alan M., Loveridge, Edric Joel, Crosby, John, Avison, Matthew B., Walsh, Timothy Rutland

and Bennett, Peter M. 2005. Bulgecin A: a novel inhibitor of binuclear metallo-beta-lactamases. Biochemical Journal 387 (3) , pp. 585-590. 10.1042/BJ20041542

Smith, Keith, Liu, Shifang and El-Hiti, Gamal A. 2005. Regioselective mononitration of simple aromatic compounds under mild conditions in ionic liquids. Industrial & Engineering Chemistry Research 44 (23) , pp. 8611-8615. 10.1021/ie050047z

Smith, Keith, El-Hiti, Gamal A. and Hegazy, Amany Saber 2005. Addition of alkyllithiums to 3H-quinazoline-4-thione and various substituted quinazoline derivatives; application in synthesis. Journal of Sulfur Chemistry 26 (2) , pp. 121-129. 10.1080/17415990500151472

Smith, Keith, El-Hiti, Gamal A. and Hegazy, Amany Saber 2005. A simple and convenient procedure for lithiation and side-chain substitution of 2-alkyl-4-(methylthio)quinazolines and 2-alkyl-4-methoxyquinazolines. Synthesis (Stuttgart) (17) , pp. 2951-2961. 10.1055/s-2005-916036

Smith, Keith, Liu, Chia-Hui, El-Hiti, Gamal A., Kang, Gurvinder S., Jones, Elfyn, Clement, Simon G., Checquer, Alex D., Howarth, Oliver W., Hursthouse, Michael Barry and Coles, Simon J. 2005. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations. Organic & Biomolecular Chemistry 3 (10) , pp. 1880-1892. 10.1039/B417156J

Smith, Keith, Liu, Chia-Hui, El-Hiti, Gamal A., Kang, Gurvinder S., Jones, Elfyn, Clement, Simon G., Checquer, Alex D., Howarth, Oliver W., Hursthouse, Michael Barry and Coles, Simon J. 2005. An extensive study of bromination of cis,trans,trans-1,5,9-cyclododecatriene: product structures and conformations [Addition and correction]. Organic & Biomolecular Chemistry 3 (22) , p. 4158. 10.1039/B514933A

Song, Chuanjun. 2005. New heteroaromatic chemistry. PhD Thesis, Cardiff University.

Song, Chuanjun, Knight, David William and Whatton, Maria A. 2005. The First Examples of Nazarov Cyclizations Leading to Annulated Pyrroles. Organic Letters 8 (1) , pp. 163-166. 10.1021/ol052683z

Song, N., Rhodes, C., Bartley, Jonathan Keith

, Chadwick, D. and Hutchings, Graham John

2005. Oxidation of isobutene to methacrolein using bismuth molybdate catalysts: Comparison of operation in periodic and continuous feed mode. Journal of Catalysis 236 (2) , pp. 282-291. 10.1016/j.jcat.2005.10.008

Swanwick, Richard S., Daines, Alison M., Flitsch, Sabine L. and Allemann, Rudolf Konrad

2005. Synthesis of homogenous site-selectively glycosylated proteins. Organic & Biomolecular Chemistry 3 (4) , pp. 572-574. 10.1039/b417133k

Swanwick, Richard S., Daines, Alison M., Tey, Lai-Hock, Flitsch, Sabine L. and Allemann, Rudolf Konrad

2005. Increased Thermal Stability of Site-Selectively Glycosylated Dihydrofolate Reductase. ChemBioChem 6 (8) , pp. 1338-1340. 10.1002/cbic.200500103

Tan, Leng Leng. 2005. Catalytic dehydrochlorination of 2-chlorobutane. PhD Thesis, Cardiff University.

Tatchell, Thomas. 2005. Coordination chemistry of pendant aniline aza-macrocycles. PhD Thesis, Cardiff University.

Taylor, Stuart H.

and Rhodes, C. 2005. Ambient temperature oxidation of carbon monoxide using a Cu 2Ag2O3 catalyst. Catalysis Letters 101 (1-2) , pp. 31-33. 10.1007/s10562-004-3745-x

Thrippleton, Michael J., Edden, Richard Anthony Edward and Keeler, James 2005. Suppression of strong coupling artefacts in J-spectra. Journal of Magnetic Resonance 174 (1) , pp. 97-109. 10.1016/j.jmr.2005.01.012

Tredget, Cara S, Lawrence, Sally C., Ward, Benjamin David

, Howe, Robert G., Cowley, Andrew R. and Mountford, Philip 2005. A family of scandium and yttrium tris((trimethylsilyl)methyl) complexes with neutral N-3 donor ligands. Organometallics 24 (13) , pp. 3136-3148. 10.1021/om050209r

Tucker, Richard James 2005. Cw-endor investigation of metal-ligand interactions in solution. PhD Thesis, Cardiff University.

Ward, Benjamin David

, Bellemin-Laponnaz, Stephane and Gade, Lutz H. 2005. C3 Chirality in Polymerization Catalysis: A Highly Active Dicationic Scandium(III) Catalyst for the Isoselective Polymerization of 1-Hexene. Angewandte Chemie International Edition 44 (11) , pp. 1668-1671. 10.1002/anie.200462804

Ward, Benjamin David

, Orde, Gavin, Clot, Eric, Cowley, Andrew R., Gade, Lutz H. and Mountford, Philip 2005. Reactions of Neutral and Cationic Diamide-Supported Imido Complexes with CO2 and Other Heterocumulenes: Issues of Site Selectivity. Organometallics 24 (10) , pp. 2368-2385. 10.1021/om0500265

Williams, Sian Margaret. 2005. New stereoselective approaches to highly substituted pyrrolidines. PhD Thesis, Cardiff University.

Wirth, Thomas

2005. Hypervalent iodine chemistry in synthesis: Scope and new directions. Angewandte Chemie - International Edition 44 (24) , pp. 3656-3665. 10.1002/anie.200500115

Xiong, Xin 2005. Synthetic approaches towards heterocyclic natural products. PhD Thesis, Cardiff University.

Xu, Mingcan and Harris, Kenneth David Maclean

2005. Altering the Polymorphic Product Distribution in a Solid-State Dehydration Process by Rapid Sample Rotation in a Solid-State NMR Probe. Journal of the American Chemical Society 127 (31) , pp. 10832-10833. 10.1021/ja052668p

Yadav, Maneesh K., Redman, James Edward

, Leman, Luke J., Alvarez-Gutiérrez, Julietta M., Zhang, Yanming, Stout, C. David and Ghadiri, M. Reza 2005. Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides. Biochemistry 44 (28) , pp. 9723-9732. 10.1021/bi050742a

Yee, Sook Wah, Jarno, Laetitia, Gomaa, Mohamed Sayed, Elford, Carole, Ooi, Liling, Coogan, Michael Peter, McClelland, Richard Andrew, Nicholson, Robert Ian, Evans, Bronwen Alice James

, Brancale, Andrea

and Simons, Claire

2005. Novel tetralone-derived retinoic acid metabolism blocking agents: synthesis and in vitro evaluation with liver microsomal and MCF-7 CYP26A1 cell assays. Journal of Medicinal Chemistry 48 (23) , pp. 7123-7131. 10.1021/jm0501681

Yusubov, M. S. and Wirth, Thomas

2005. Solvent-free reactions with hypervalent iodine reagents. Organic Letters 7 (3) , pp. 519-521. 10.1021/ol047363e

Zhang, Wenjian 2005. Synthesis of small-ring benzannulated triphosphamacrocycles by template methods. PhD Thesis, Cardiff University.

Zhao, Y., Mpela, A., Enache, Dan Ion, Taylor, Stuart H.

, Hildebrandt, D., Glasser, D., Hutchings, Graham John

and Scurrell, M. S. 2005. Study of carbon monoxide hydrogenation over Au supported on zinc oxide catalysts. American Chemical Society, Division of Petroleum Chemistry, Preprints 50 (2) , pp. 206-207.

2004

Abbate, F, Casini, Angela

, Owa, T, Scozzafava, A and Supuran, C. T. 2004. Carbonic anhydrase inhibitors: E7070, a sulfonamide anticancer agent, potently inhibits cytosolic isozymes I and II, and transmembrane, tumor-associated isozyme IX. Biorganic and Medicinal Chemistry Letters 14 (1) , pp. 217-223. 10.1016/j.bmcl.2003.09.062

Abbate, F, Casini, Angela

, Scozzafava, A and Supuran, CT 2004. Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with a topically acting antiglaucoma sulfonamide. Bioorganic and Medicinal Chemistry Letters 14 (9) , pp. 2357-2361. 10.1016/j.bmcl.2004.01.096

Abbate, F, Coetzee, A, Casini, Angela

, Ciattini, S, Scozzafava, A and Supuran, CT 2004. Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with the antipsychotic drug sulpiride. Bioorganic and Medicinal Chemistry Letters 14 (2) , pp. 337-341. 10.1016/j.bmcl.2003.11.014

Abbate, F, Winum, J. Y., Potter, B. V. L, Casini, Angela

, Montero, J. L., Scozzafava, A and Supuran, C. T. 2004. Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with EMATE, a dual inhibitor of carbonic anhydrases and steroid sulfatase. Biorganic and Medicinal Chemistry Letters 14 (1) , pp. 231-234. 10.1016/j.bmcl.2003.09.064

Adams, Christopher J. and Pope, Simon J. A.

2004. Diimine-Acetylide Compounds of Ruthenium: The Structural and Spectroscopic Effects of Oxidation. Inorganic Chemistry 43 (11) , pp. 3492-3499. 10.1021/ic035181v

Al-Fawaz, Amal, Aldridge, Simon, Coombs, Deborah L.

, Dickinson, Anthony A., Willock, David J., Ooi, Li-ling, Light, Mark E., Coles, Simon J. and Hursthouse, Michael B. 2004. Reactivity of the bis(pentafluorophenyl)boranes ClB(C6F5)2 and [HB(C6F5)2]n towards late transition metal reagents. Dalton Transactions (23) , pp. 4030-4037. 10.1039/b414940h

Al-Fawaz, Amal 2004. Studies of Pl-bonding in late transition metal boryl complexes. PhD Thesis, Cardiff University.

Albesa-Jove, David, Kariuki, Benson

, Kitchin, Simon J., Grice, Leanne, Cheung, Eugene Y. and Harris, Kenneth David Maclean

2004. Challenges in direct-space structure determination from powder diffraction data: a molecular material with four independent molecules in the asymmetric unit. Chemphyschem -Weinheim- 5 (3) , pp. 414-418. 10.1002/cphc.200301078

Aldridge, Simon and Coombs, Deborah L.

2004. Transition metal boryl and borylene complexes: substitution and abstraction chemistry. Coordination Chemistry Reviews 248 (7-8) , pp. 535-559. 10.1016/j.ccr.2003.12.003

Aldridge, Simon, Rossin, Andrea, Coombs, Deborah L.

and Willock, David J.

2004. Carbonyl analogues? Analysis of Fe-E (E = B, Al, Ga) bonding in cationic terminal diyl complexes by density functional theory. Dalton Transactions (17) , pp. 2649-2654. 10.1039/B405027D

Alshahateet, Solhe F., Nakano, Kazunori, Bishop, Roger, Craig, Donald B., Harris, Kenneth David Maclean

and Scudder, Marcia L. 2004. Co-crystalline hydrogen bonded solids based on the alcohol-carboxylic acid-alcohol supramolecular motif. Crystengcomm 6 , pp. 5-10. 10.1039/B313956E

Arany, A., Crowley, P. J., Fawcett, J., Hursthouse, M. B., Kariuki, Benson

, Light, M. E., Moralee, A. C., Percy, J. M. and Salafia, V. 2004. Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile. Organic & Biomolecular Chemistry 2 (4) , pp. 455-465. 10.1039/B314314G

Attwood, Anna Lisa 2004. Characterisation and reactivity of thermal and photo-generated surface defects and radical centres over TiO2 : an EPR investigation. PhD Thesis, Cardiff University.

Baker, Robert James, Jones, Cameron, Junk, Peter C. and Kloth, Marc 2004. Kinetic Control over the Thermal Stability of the InH Bond: Synthesis and Characterization of Amido Indium Hydride Complexes. Angewandte Chemie International Edition 43 (29) , pp. 3852-3855. 10.1002/anie.200460304

Barrie, Claire L. 2004. The rheology of carbon black dispersions. PhD Thesis, Cardiff University.

Bashir-Uddin Surfraz, M., Akhtar, Mahmoud and Allemann, Rudolf Konrad

2004. Bis-benzyl protected 6-amino cyclitols are poisonous to Pd/C catalysed hydrogenolysis of benzyl ethers. Tetrahedron Letters 45 (6) , pp. 1223-1226. 10.1016/j.tetlet.2003.11.130

Beignet, Julien, Tiernan, James, Woo, Chang H., Kariuki, Benson

and Cox, Liam R. 2004. Stereoselective synthesis of allyl-C-mannosyl compounds: Use of a temporary silicon connection in intramolecular allylation strategies with allylsilanes. Journal of Organic Chemistry 69 (19) , pp. 6341-6356. 10.1021/jo049061w

Bonnac, L, Innocenti, A, Winum, JY, Casini, Angela

, Montero, JL, Scozzafava, A, Barragan, V and Supuran, CT 2004. Carbonic anhydrase inhibitors: Aliphatic N-phosphorylated sulfamates - A novel zinc-anchoring group leading to nanomolar inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 19 (3) , pp. 275-278. 10.1080/14756360410001689522

Bonnet, L. G., Douthwaite, R. E., Hodgson, R., Houghton, J., Kariuki, Benson

and Simonovic, S. 2004. Synthesis, structure and reactivity of palladium(II) complexes of chiral N-heterocyclic carbene-imine and -amine hybrid ligands. Dalton Transactions (21) , pp. 3528-3535. 10.1039/B408594A

Brown, Jonathon David. 2004. Gene expression and genetic diversity of the 'Streptococcus milleri' group. PhD Thesis, Cardiff University.

Brym, Markus 2004. New aspects of low co-ordination phosphorus chemistry. PhD Thesis, Cardiff University.

Budd, P. M., Elabas, E. S., Ghanem, B. S., Makhseed, S., McKeown, Neil B., Msayib, Kadhum, Tattershall, C. E. and Wang, D. 2004. Solution-processed, organophilic membrane derived from a polymer of intrinsic microporosity. Advanced Materials 16 (5) , pp. 456-459. 10.1002/adma.200306053

Budd, P.M., Ghanem, B.S., Makhseed, Saad, McKeown, Neil B., Msayib, Kadhum and Tattershall, Carin E. 2004. Polymers of intrinsic microporosity (PIMs): robust, solution-processable, organic nanoporous materials. Chemical Communications (2) , pp. 230-231. 10.1039/b311764b

Budroni, Gerolamo 2004. Preparation and characterization of catalysts. PhD Thesis, Cardiff University.

Bunn, Natalie R., Aldridge, Simon, Coombs, Deborah L.

, Rossin, Andrea, Willock, David J.

, Jones, Cameron and Ooi, Li-ling 2004. Fe-Ga multiple bonding? Synthesis, spectroscopic and structural characterization of a transition metal complex containing a cationic two-coordinate gallium centre. Chemical Communications (15) , pp. 1732-1733. 10.1039/B405943C

Buurma, Niklaas Jan

, Serena, Paola, Blandamer, Michael J. and Engberts, Jan B. F. N. 2004. The Nature of the Micellar Stern Region As Studied by Reaction Kinetics. 2. The Journal of Organic Chemistry 69 (11) , pp. 3899-3906. 10.1021/jo049959l

Caplan, Neil A, Hancock, Frederick E., Bulman Page, Philip C. and Hutchings, Graham John

2004. Heterogeneous Enantioselective Catalysed Carbonyl- and Imino-ene Reactions using Copper bis(oxazoline) Zeolite Y. Angewandte Chemie International Edition 43 (13) , pp. 1685-1688. 10.1002/anie.200352534

Carley, Albert Frederick, Coughlin, Mark, Davies, Philip Rosser

and Roberts, Meirion Wyn 2004. Chemisorption and reaction of phenyl iodide at Cu(110) surfaces: a combined STM and XPS study. Surface Science 555 (1-3) , L138-L142. 10.1016/j.susc.2004.03.005

Carley, Albert Frederick, Davies, Philip Rosser

, Harikumar, K. R., Jones, Rhys Vaughan and Roberts, Meirion Wyn 2004. Reactivity and Structural Aspects of Cesium and Oxygen States at Cu(110) Surfaces: An XPS and STM Investigation. Journal of Physical Chemistry B 108 (38) , pp. 14518-14526. 10.1021/jp049469x

Cavill, Julie Leanne 2004. Novel asymmetric catalysts for the activation of a, beta-unsaturated carbonyl compounds. PhD Thesis, Cardiff University.

Celani, P, Stoll, H, Werner, H.J. and Knowles, Peter

2004. The CIPT2 method: Coupling of multi-reference configuration interaction and multi-reference perturbation theory. Application to the chromium dimer. Molecular Physics 102 (21-22) , pp. 2369-2379. 10.1080/00268970412331317788

Clarke, A.J., Ingleson, M.J., Kociok-Kohn, G., Mahon, M.F., Patmore, N.J., Rourke, J.P.

, Ruggiero, G.D. and Weller, A.S. 2004. Silver-phosphine complexes of the highly methylated carborane monoanion [closo-1-H-CB11M11](-). Journal of the American Chemical Society 126 (5) , pp. 1503-1517. 10.1021/ja038173m

Clement, Nicolas David and Cavell, Kingsley John 2004. Transition-metal-catalyzed reactions involving imidazolium salt/N-heterocyclic carbene couples as substrates. Angewandte Chemie 43 (29) , pp. 3845-3847. 10.1002/anie.200454166

Coleman, Dennis 2004. Novel functionalised phosphines relevant to the methoxycarbonylation of ethylene. PhD Thesis, Cardiff University.

Colston, Nicola Jane 2004. Palladium-catalysed enantioselective hydrogenation of N-acetyl dehydrophenylalanine methyl ester. PhD Thesis, Cardiff University.

Coombs, Deborah L.

, Aldridge, Simon, Rossin, Andrea, Jones, Cameron and Willock, David J.

2004. Fe=B double bonds: Synthetic, structural, and reaction chemistry of cationic terminal borylene complexes. Organometallics 23 (12) , pp. 2911-2926. 10.1021/om049793e

Cox, Matthew 2004. Electrochemical use of chiral non-racemic diselenides. PhD Thesis, Cardiff University.

Davies, Thomas and Taylor, Stuart H.

2004. The oxidative dehydrogenation of propane using gallium-molybdenum based catalysts. Catalysis Letters 93 (3-4) , pp. 151-154. 10.1023/B:CATL.0000017069.52359.6a

Davies, Thomas and Taylor, Stuart H.

2004. The oxidative dehydrogenation of propane using gallium-molybdenum oxide-based catalysts. Journal of Molecular Catalysis A: Chemical 220 (1) , pp. 77-84. 10.1016/j.molcata.2004.01.027

Davies, Aaron James 2004. Aspects of main group metal amido and carbene chemistry. PhD Thesis, Cardiff University.

Davies, Philip Rosser

, Edwards, Dyfan and Richards, Darran 2004. Aromatic interactions in the close packing of phenyl-imides at Cu(110) surfaces. Surface Science 573 (2) , pp. 284-290. 10.1016/j.susc.2004.09.039

Davies, Philip Rosser

, Edwards, Dyfan and Richards, Darran 2004. STM and XPS Studies of the Oxidation of Aniline at Cu(110) Surfaces. Journal of Physical Chemistry B 108 (48) , pp. 18630-18639. 10.1021/jp047697l

de Leval, X, Ilies, M, Casini, Angela

, Dogne, JM, Scozzafava, A, Masini, E, Mincione, F, Starnotti, M and Supuran, CT 2004. Carbonic anhydrase inhibitors: Synthesis and topical intraocular pressure lowering effects of fluorine-containing inhibitors devoid of enhanced reactivity. Journal of Medicinal Chemistry 47 (11) , pp. 2796-2804. 10.1021/jm031116j

Dias, Luiz C. and Gonzaga De Oliveira, Luciana 2004. Short synthesis of the 6,6-spiroketal cores of spirofungins A and B. Organic Letters 6 (15) , pp. 2587-2590. 10.1021/ol0491078

Diehr, Matthieu, Rosmus, Pavel, Carter, Stuart and Knowles, Peter James

2004. Theoretical rovibrational line intensities in the electronic ground state of ozone. Molecular Physics 102 (21-22) , pp. 2181-2189. 10.1080/00268970410001722993

Dogne, JM, de Leval, X, Hanson, J, Frederich, M, Lambermont, B, Ghuysen, A, Casini, Angela

, Masereel, B, Ruan, KH, Pirotte, B and Kolh, P 2004. New developments on thromboxane and prostacyclin modulators - Part I: Thromboxane modulators. Current Medicinal Chemistry 11 (10) , pp. 1223-1241.

Douthwaite, R. E., Houghton, J. and Kariuki, Benson

2004. The synthesis of a di-N-heterocyclic carbene-amido complex of palladium(II). Chemical Communications (6) , pp. 698-699. 10.1039/B314814A

Dummer, Nicholas

2004. Comparison of the heterogeneous enantioselective hydrogenation of 2,3-butanedione over cinchona modified platinum catalysts in three different reactors. PhD Thesis, Cardiff University.

Edden, Richard Anthony Edward and Keeler, James 2004. Development of a method for the measurement of long-range C-13-H-1 coupling constants. Journal of Magnetic Resonance 166 (1) , pp. 53-68. 10.1016/j.jmr.2003.09.011

El-Hiti, Gamal A. 2004. Application of organolithium in organic synthesis: A simple and convenient procedure for the synthesis of more complex 6-substituted 3H-quinazolin-4-ones. Monatshefte für Chemie 135 (3) , pp. 323-331. 10.1007/s00706-003-0110-5

El-Hiti, Gamal A. 2004. A simple procedure for the side-chain lithiation of 2-alkyl-3H-quinazoline-4-thiones: application in synthesis. Synthesis -Stuttgart- (3) , pp. 363-369. 10.1055/s-2004-815923

Elliott, Mark Christopher

, Gist, Matthew J., Binns, Falmai and Jones, Richard G. 2004. A convenient synthesis of 2-methyl-3-oxoheptane-1,7-dicarboxylic esters and amides. Tetrahedron Letters 45 (14) , pp. 2899-2901. 10.1016/j.tetlet.2004.02.067

Elliott, Mark Christopher

and Long, Matthew S. 2004. Studies towards the total synthesis of batzelladine A. Organic & Biomolecular Chemistry 2 (14) , pp. 2003-2011. 10.1039/b404679j

Elliott, Mark Christopher

, Malik, Khalifa M. Abdul and Williams, Eve 2004. Crystal structures and conformations of two new biisoquinoline derivatives. Journal of Chemical Crystallography 34 (6) , pp. 371-381. 10.1023/B:JOCC.0000028669.22883.be

Elliott, Mark Christopher

and Wordingham, Stuart V. 2004. Reversibility in Lewis-acid Promoted Reactions of N-Arylcinnamamides. Synlett 2004 (5) , pp. 898-900. 10.1055/s-2004-820024

Fallis, Ian Andrew

, Tucker, Richard J., Farley, Robert Dexter, Jenkins, Robert Leyshon and Strevens, Robert Ross 2004. Direct Observation of Enantiomer Discrimination of Epoxides by Chiral Salen Complexes Using ENDOR. Journal of the American Chemical Society 126 (48) , pp. 15660-15661. 10.1021/ja045491s

Faulkner, Stephen, Carrié, Marie-Christine, Pope, Simon J. A.

, Squire, Jonathan, Beeby, Andrew and Sammes, Peter G. 2004. Pyrene-sensitised near-IR luminescence from ytterbium and neodymium complexes. Dalton Transactions 2004 (9) , pp. 1405-1409. 10.1039/b401302f

Forcat, Silvia and Allemann, Rudolf Konrad

2004. Dual role for phenylalanine 178 during catalysis by aristolochene synthase. Chemical Communications (18) , pp. 2094-2095. 10.1039/b407932a

French, Andrew N., Cole, Jonathan and Wirth, Thomas

2004. Tetrahydrofuranylation of alcohols using hypervalent iodine reagents. Synlett (13) , pp. 2291-2294. 10.1055/s-2004-832810

Garcia, Tomas, Solsona, Benjamin Espriu, Murphy, Damien Martin

, Antcliff, Karen Louise and Taylor, Stuart H.

2004. Deep oxidation of light alkanes over titania-supported palladium/vanadium catalysts. Journal of Catalysis 229 (1) , pp. 1-11. 10.1016/j.jcat.2004.09.018

Garcia, Tomas, Solsona, Benjamin Espiru and Taylor, Stuart H.

2004. The oxidative destruction of hydrocarbon volatile organic compounds using palladium-vanadia-titania catalysts. Catalysis Letters 97 (1-2) , pp. 99-103. 10.1023/B:CATL.0000034294.35776.db

Godwin, Susan M. 2004. Investigations into aquatic pheromones and the palladised iron transformations of halo-organics. PhD Thesis, Cardiff University.

Green, Melinda J., Cavell, Kingsley J., Edwards, Peter G., Tooze, Robert P., Skelton, Brian W. and White, Allan H. 2004. Palladium(ii) complexes of new OPN phosphine ligands and their application in homogeneously catalysed reactions of CO with alkenes or alkynes. Dalton Transactions (20) , pp. 3251-3260. 10.1039/b405586c

Griffiths, Peter Charles, Cheung, A. Y. F., Farley, C., Paul, Alison

, Heenan, Richard K., King, Stephen M., Pettersson, E., Stilbs, P. and Ranganathan, Radha 2004. Small-Angle Neutron Scattering, Electron Paramagnetic Resonance, Electrophoretic NMR, and Time-Resolved Fluorescence Quenching Studies of Sodium Dodecyl Sulfate and Tetra(ethylene oxide) Dodecyl Ether Mixed Surfactant Micelles. Journal of Physical Chemistry B 108 (4) , pp. 1351-1356. 10.1021/jp035276i

Griffiths, Peter Charles, Fallis, Ian Andrew

, Paul, Alison

, Barrie, C. L., Griffiths, P. M., Williams, Graham Mark, King, S. M., Heenan, Richard K. and Gorgl, R. 2004. The Structure of Metallomicelles. Chemistry - A European Journal 10 (8) , pp. 2022-2028. 10.1002/chem.200305670

Griffiths, Peter Charles, Paul, Alison

, Penfold, J., Heenan, Richard K., Ranganathan, Radha and Bales, Barney L. 2004. Role of Counterion Concentration in Determining Micelle Aggregation: Evaluation of the Combination of Constraints from Small-Angle Neutron Scattering, Electron Paramagnetic Resonance, and Time-Resolved Fluorescence Quenching. Journal of Physical Chemistry B 108 (12) , pp. 3810-3816. 10.1021/jp0371478

Griffiths, Peter Charles, Wellappili, Champa, Hemsley, Alan Richard and Stephens, Rosy 2004. Ultra-porous hollow particles. Colloid & polymer science 282 (10) , pp. 1155-1159. 10.1007/s00396-003-1041-8

Habershon, Scott, Cheung, Eugene Y., Harris, Kenneth David Maclean

and Johnston, Roy L. 2004. An efficient algorithm for calculating whole-profile functions in crystal structure solution from powder diffraction data. Chemical Physics Letters 390 (4-6) , pp. 394-398. 10.1016/j.cplett.2004.04.031

Hall, Matthew Scott 2004. Gold catalysts for oxidation and hydrogenation reactions. PhD Thesis, Cardiff University.

Hammond, Charles Rhodri 2004. Partial oxidation of methane to methanol using modified mixed metal oxides. PhD Thesis, Cardiff University.

Harris, Kenneth David Maclean

and Cheung, Eugene Y. 2004. How to determine structures when single crystals cannot be grown: opportunities for structure determination of molecular materials using powder diffraction data. Chemical Society Reviews 33 (8) , pp. 526-538. 10.1039/b409059b

Harris, Kenneth David Maclean

, Habershon, Scott, Cheung, Eugene Y. and Johnston, Roy L. 2004. Developments in genetic algorithm techniques for structure solution from powder diffraction data. Zeitschrift für Kristallographie 219 (12) , pp. 838-846. 10.1524/zkri.219.12.838.55856

Helmboldt, H., Rehbein, Julia and Hiersemann, M. 2004. Enantioselective synthesis of the C-14 to C-5 cyclopentane segment of jatrophane diterpenes. Tetrahedron Letters 45 (2) , pp. 289-292. 10.1016/j.tetlet.2003.10.171

Innocenti, A., Casini, Angela

, Alcaro, M.C., Papini, A.M., Scozzafava, A and Supuran, C.T. 2004. Carbonic anhydrase inhibitors: The first on-resin screening of a 4-sulfamoylphenylthiourea library. Journal of Medicinal Chemistry 47 (21) , pp. 5224-5229. 10.1021/jm049692i

Jackstell, Ralf, Harkal, Surendra, Jiao, Haijun, Spannenberg, Anke, Borgmann, Cornelia, Röttger, Dirk, Nierlich, Franz, Elliott, Mark Christopher

, Niven, Stuart, Cavell, Kingsley John, Navarro, Oscar, Viciu, Mihai S., Nolan, Steven P. and Beller, Matthias 2004. An industrially viable catalyst system for palladium-catalyzed telomerizations of 1,3-butadiene with alcohols. Chemistry - a European Journal 10 (16) , pp. 3891-3900. 10.1002/chem.200400182

James, J., Meenakshisundaram, Sankar

, Senthil Kumar, S. and Nair, K. V. O. 2004. Preparation and properties of Ba2−xSrxSmTaO6 (x=0–2): a group of new perovskite materials. Materials Chemistry and Physics 83 (2-3) , pp. 328-333. 10.1016/j.matchemphys.2003.10.007

Johnstone, Julia 2004. Synthesis of tripnictide macrocycles based on a benzannulated core. PhD Thesis, Cardiff University.

Khokhar, Shaista S. and Wirth, Thomas

2004. Selenocyclizations: control by coordination and by the counterion. Angewandte Chemie - International Edition 43 (5) , pp. 631-633. 10.1002/anie.200352884

Khokhar, Shaista Sheroze and Wirth, Thomas

2004. Nucleophile-selective selenocyclizations. European Journal of Organic Chemistry (22) , pp. 4567-4581. 10.1002/ejoc.200400526

Kloth, Marc 2004. Studies of low oxidation state group 13 halide, hydride and heterocyclic complexes. PhD Thesis, Cardiff University.

Lamarche, Olivier J., Platts, James Alexis

and Hersey, Anne 2004. Theoretical prediction of partition coefficients via molecular electrostatic and electronic properties. Journal of Chemical Information and Computer Sciences 44 (3) , pp. 848-855. 10.1021/ci034276c

Lehtonen, J. M., Parkkila, S., Vullo, D., Casini, Angela

, Scozzafava, A. and Supuran, C. T. 2004. Carbonic anhydrase inhibitors. Inhibition of cytosolic isozyme XIII with aromatic and heterocyclic sulfonamides: a novel target for the drug design. Bioorganic & Medicinal Chemistry Letters 14 (14) , pp. 3757-3762. 10.1016/j.bmcl.2004.04.106

Lehtonen, J, Shen, BR, Vihinen, M, Casini, Angela

, Scozzafava, A, Supuran, CT, Parkkila, AK, Saarnio, J, Kivela, AJ, Waheed, A, Sly, WS and Parkkila, S 2004. Characterization of CA XIII, a novel member of the carbonic anhydrase isozyme family. Journal of Biological Chemistry 279 (4) , pp. 2719-2727. 10.1074/jbc.M308984200

Li, X., Dummer, Nicholas

, Jenkins, Robert, Wells, R. P. K., Wells, Peter Bernard, Willock, David James

, Johnston, P. and Hutchings, Graham John

2004. Enantioselective hydrogenation using cinchona-modified Pt/γ-Al 2O3 catalysts: Comparison of the reaction of ethyl pyruvate and buta-2,3-dione. Catalysis Letters 96 (3-4) , pp. 147-151. 10.1023/B:CATL.0000030112.70608.a0

Mann, Rajinder Kaur 2004. The adsorption and reaction of ketones on the surface of group 10 metal catalysts, a density functional theory study. PhD Thesis, Cardiff University.

Marcyjaniak, Margorzata, Odintsov, Sergey G., Sabala, Izabela and Bochtler, Matthias

2004. Peptidoglycan amidase MepA is a LAS metallopeptidase. Journal of Biological Chemistry 279 (42) , pp. 43982-43989. 10.1074/jbc.M406735200

Marti-Rujas, Javier, Desmedt, Arnaud, Harris, Kenneth David Maclean

and Guillaume, Francois 2004. Direct Time-Resolved and Spatially Resolved Monitoring of Molecular Transport in a Crystalline Nanochannel System. Journal of the American Chemical Society 126 (36) , pp. 11124-11125. 10.1021/ja040117d

Meenakshisundaram, Sankar

, Tarte, N.H. and Manikandan, P. 2004. Effective catalytic system of zinc-substituted polyoxometalate for cycloaddition of CO2 to epoxides. Applied Catalysis A: General 276 (1-2) , pp. 217-222. 10.1016/j.apcata.2004.08.008

Miller, David James, Bashir-Uddin Surfraz, M., Akhtar, Mahmoud, Gani, David and Allemann, Rudolf Konrad

2004. Removal of the phosphate group in mechanism-based inhibitors of inositol monophosphatase leads to unusual inhibitory activity. Organic & Biomolecular Chemistry 2 (5) , pp. 671-688. 10.1039/b312808c

Miller, Thomas A., Jeffery, John C., Ward, Michael D., Adams, Harry, Pope, Simon J. A.

and Faulkner, Stephen 2004. Photoinduced Ru–Yb energy transfer and sensitised near-IR luminescence in a coordination polymer containing co-crystallised [Ru(bipy)(CN)4]2− and Yb(III) units. Dalton Transactions 2004 (10) , pp. 1524-1526. 10.1039/b404820b

Neville, Jonathan D.A. 2004. The adsorption and dissociation of water and hydrogen fluoride over the surfaces of aluminium oxide polymorphs, a density functional theory study. PhD Thesis, Cardiff University.

Nicoll, Andrew J. and Allemann, Rudolf Konrad

2004. Miniature proteomics: designing alpha-helical miniature proteins. Recent Research Developments in Chemistry 2 , pp. 227-243.

Nicoll, Andrew J. and Allemann, Rudolf Konrad

2004. Nucleophilic and general acid catalysis at physiological pH by a designed miniature esterase. Organic & Biomolecular Chemistry 2 (15) , pp. 2175-2180. 10.1039/b404730c

Pastorekova, S, Casini, Angela

, Scozzafava, A, Vullo, D, Pastorek, J and Supuran, CT 2004. Carbonic anhydrase inhibitors: The first selective, membrane-impermeant inhibitors targeting the tumor-associated isozyme IX. Bioorganic and Medicinal Chemistry Letters 14 (4) , pp. 869-873. 10.1016/j.bmcl.2003.12.029

Pérez González, Maykel, Dias, Luiz Carlos, Helguera, Aliuska Morales, Rodrı́guez, Yanisleidy Morales, Gonzaga De Oliveira, Luciana, Gomez, Luis Torres and Diaz, Humberto Gonzalez 2004. TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds. Bioorganic and Medicinal Chemistry 12 (16) , pp. 4467-4475. 10.1016/j.bmc.2004.05.035

Pollard, Ashleigh J. J. 2004. Silica and boron nitride supported molybdenum and vanadium oxide catalysts for alkane oxidation. PhD Thesis, Cardiff University.

Polly, Robert, Werner, Hans-Joachim, Manby, Frederick R. and Knowles, Peter James

2004. Fast Hartree-Fock theory using local density fitting approximations. Molecular Physics 102 (21-22) , pp. 2311-2321. 10.1080/0026897042000274801

Pope, Simon J. A.

, Coe, Benjamin J. and Faulkner, Stephen 2004. Re(i) sensitised near-infrared lanthanide luminescence from a hetero-trinuclear Re2Ln array. Chemical Communications 2004 (13) , pp. 1550-1551. 10.1039/b402270j

Pope, Simon J. A.

, Coe, Benjamin J., Faulkner, Stephen, Bichenkova, Elena V., Yu, Xuan and Douglas, Kenneth T. 2004. Self-Assembly of Heterobimetallic d-f Hybrid Complexes: Sensitization of Lanthanide Luminescence by d-Block Metal-to-Ligand Charge-Transfer Excited States. Journal of the American Chemical Society 126 (31) , pp. 9490-9491. 10.1021/ja047523h

Rossin, Andrea 2004. Synthetic and computational studies of organometallic complexes containing low-coordinate group 13 ligands. PhD Thesis, Cardiff University.

Saunders, Robert Alun. 2004. Molecular surface area measures of polarity and hydrogen bonding for QSAR. PhD Thesis, Cardiff University.

Saunders, Robert Alun and Platts, James Alexis

2004. Scaled polar surface area descriptors: development and application to three sets of partition coefficients. New Journal of Chemistry 28 (1) , pp. 166-172. 10.1039/B307023A

Seeber, Georg, Kogerler, Paul, Kariuki, Benson

and Cronin, Leroy 2004. Supramolecular assembly of ligand-directed triangular {(Cu3Cl)-Cl-II} clusters with spin frustration and spin-chain behaviour. Chemical Communications 2004 (14) , pp. 1580-1581. 10.1039/B402487G

Shavaleev, N. M., Bell, Z. R., Easun, Timothy

, Rutkaite, R., Swanson, L. and Ward, M. D. 2004. Complexes of substituted derivatives of 2-(2-pyridyl)benzimidazole with Re(I), Ru(II) and Pt(II): structures, redox and luminescence properties. Dalton Transactions 21 , pp. 3678-3688. 10.1039/B411341A

Singkhonrat, Jirada 2004. 5-endo-dig approaches to pyrroles. PhD Thesis, Cardiff University.

Smith, Keith and El-Hiti, Gamal A. 2004. Regioselective control of electrophilic aromatic substitution reactions. Current Organic Synthesis 1 (3) , pp. 253-274. 10.2174/1570179043366747

Smith, Keith, Liu, Shifang and El-Hiti, Gamal A. 2004. Use of ionic liquids as solvents for epoxidation reactions catalysed by a chiral Katsuki-type salen complex: enhanced reactivity and recovery of catalyst. Catalysis Letters 98 (2-3) , pp. 95-101. 10.1007/s10562-004-7921-9

Smith, Keith, El-Hiti, Gamal A. and Abdel-Megeed, Mohamed F. 2004. Regioselective lithiation of chiral 3-acylamino-2-alkylquinazolin-4(3H)ones: application in synthesis. Synthesis (Stuttgart) (13) , pp. 2121-2130. 10.1055/s-2004-829169

Smith, Keith, Ewart, Gordon M., El-Hiti, Gamal A. and Randles, Kenneth R. 2004. Study of regioselective methanesulfonylation of simple aromatics with methanesulfonic anhydride in the presence of zeolite catalysts. Organic & Biomolecular Chemistry 2 (21) , pp. 3150-3154. 10.1039/B409922B

Smith, Keith, Lock, Sandra, El-Hiti, Gamal A., Wada, Makoto and Miyoshi, Norikazu 2004. A convenient procedure for bismuth-mediated Barbier-type allylation of aldehydes in water containing fluoride ions. Organic & Biomolecular Chemistry 2 (6) , pp. 935-938. 10.1039/B400179F

Solsona, Benjamin Espriru, Hutchings, Graham John

, Garcia, Tomas and Taylor, Stuart H.

2004. Improvement of the catalytic performance of CuMnOx catalysts for CO oxidation by the addition of Au. New Journal of Chemistry 28 (6) , pp. 708-711. 10.1039/b315391f

Supuran, C. T., Casini, Angela

, Mastrolorenzo, A. and Scozzafava, A. 2004. COX-2 selective inhibitors, carbonic anhydrase inhibition and anticancer properties of sulfonamides belonging to this class of pharmacological agents. Mini-Reviews in Medicinal Chemistry 4 (6) , pp. 625-632.

Svastova, E., Hulikova, A., Rafajova, M., Zat'ovicova, M., Gibadulinova, A., Casini, Angela

, Cecchi, A., Scozzafava, A., Supuran, C.T., Pastorek, J. and Pastorekova, S. 2004. Hypoxia activates the capacity of tumor-associated carbonic anhydrase IX to acidify extracellular pH. FEBS Letters 577 (3) , pp. 439-445. 10.1016/j.febslet.2004.10.043

Swanwick, Richard S., Shrimpton, Paul J. and Allemann, Rudolf Konrad

2004. Pivotal role of Gly 121 in dihydrofolate reductase from Escherichia coli: the altered structure of a mutant enzyme may form the basis of its diminished datalytic performance. Biochemistry 43 (14) , pp. 4119-4127. 10.1021/bi036164k

Tippmann, Eric Michael, Platz, Matthew S., Svir, Irina B. and Klymenko, Oleksiy V. 2004. Evidence for Specific Solvation of Two Halocarbene Amides. Journal of the American Chemical Society 126 (18) , pp. 5750-5762. 10.1021/ja039693k

Tremayne, Maryjane, Grice, Leanne, Pyatt, James C., Seaton, Colin C., Kariuki, Benson

, Tsui, Helen H. Y., Price, Sarah L. and Cherryman, Julian C. 2004. Characterization of complicated new polymorphs of chlorothalonil by X-ray diffraction and computer crystal structure prediction. Journal of the American Chemical Society 126 (22) , pp. 7071-7081. 10.1021/ja0498235

Turner, Elizebeth C., Cureton, Charlotte H., Weston, Chris J., Smart, Oliver S. and Allemann, Rudolf Konrad

2004. Controlling the DNA Binding Specificity of bHLH Proteins through Intramolecular Interactions. Chemistry & Biology 11 (1) , pp. 69-77. 10.1016/j.chembiol.2003.12.015

Ward, Benjamin David

, Maisse-Francois, Aline, Mountford, Philip and Gade, Lutz H. 2004. Synthesis and structural characterization of an azatitanacyclobutene: the key intermediate in the catalytic anti-Markovnikov addition of primary amines to α-alkynes. Chemical Communications- Royal Society of Chemistry (6) , pp. 704-705. 10.1039/b316383k

Ward, Benjamin David

, Orde, G., Clot, E., Cowley, A. R., Gade, L. H. and Mountford, P. 2004. Synthesis, reactivity, and computational studies of the cationic tungsten methyl complex [W(NPh)(N2Npy)Me](+) and related compounds (N2Npy = MeC(2-C5H4N)(CH2NSiMe3)(2)). Organometallics 23 (19) , pp. 4444-4461. 10.1021/om049701l

Weber, A, Casini, A, Heine, A, Kuhn, D, Supuran, CT, Scozzafava, A and Klebe, G 2004. Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: New pharmacological opportunities due to related binding site recognition. Journal of Medicinal Chemistry 47 (3) , pp. 550-557. 10.1021/jm030912m

Weston, Chris J., Cureton, Charly H., Calvert, Melanie J., Smart, Oliver S. and Allemann, Rudolf Konrad

2004. A Stable Miniature Protein with Oxaloacetate Decarboxylase Activity. ChemBioChem 5 (8) , pp. 1075-1080. 10.1002/cbic.200300805

Winum, J. Y., Casini, Angela

, Mincione, F, Starnotti, M, Montero, J. L., Scozzafava, A and Supuran, C. T. 2004. Carbonic anhydrase inhibitors: N-(p-sulfamoylphenyl)-alpha-D-glycopyranosylamines as topically acting antiglaucoma agents in hypertensive rabbits. Biorganic and Medicinal Chemistry Letters 14 (1) , pp. 225-229. 10.1016/j.bmcl.2003.09.063

Xu, Qing 2004. Intramolecular benzyne trapping in synthesis of a Vitamin E precursor. PhD Thesis, Cardiff University.

Yeo, Lily and Harris, Kenneth David Maclean

2004. Host–guest chiral discrimination in incommensurate 2-hydroxyalkane/urea inclusion compounds: a computational study. Mendeleev Communications 14 (6) , pp. 263-266. 10.1070/MC2004v014n06ABEH002028

Zhang, B, Taylor, Stuart H.

2004. Catalytic synthesis of methanethiol from CO/H2/H2S mixtures using α-Al2O3. New Journal of Chemistry 28 (4) , pp. 471-476. 10.1039/b312340p

Zimmerman, S., Innocenti, A., Casini, Angela

, Ferry, J.G., Scozzafava, A. and Supuran, C.T. 2004. Carbonic anhydrase inhibitors. Inhibition of the prokariotic beta and gamma-class enzymes from Archaea with sulfonamides. Bioorganic & Medicinal Chemistry Letters 14 (24) , pp. 6001-6006. 10.1016/j.bmcl.2004.09.085

2003

Abbate, F., Casini, Angela

, Scozzafava, A. and Supuran, C. T. 2003. Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with the perfluorobenzoyl analogue of methazolamide. Implications for the drug design of fluorinated inhibitors. Journal of Enzyme Inhibition and Medicinal Chemistry 18 (4) , pp. 303-308. 10.1080/1475636031000119337

Albrow, V., Biswas, K., Crane, A., Chaplin, N., Easun, Timothy

, Gladiali, S., Lygo, B. and Woodward, S. 2003. Synthesis of an octahydro-1,1 '-binaphthyl thioether ligand and comparison with unhydrogenated binaphthyl analogues. Tetrahedron: Asymmetry 14 (18) , pp. 2813-2819. 10.1016/S0957-4166(03)00583-4

Aldridge, Simon, Coombs, Deborah

and Jones, Cameron 2003. trans-Bromohydridobis(triphenylphosphine)platinum toluene hemisolvate. Acta Crystallographica Section E - Structure Reports Online 59 (8) , m584-m585. 10.1107/S1600536803014995

Aldridge, Simon, Bresner, Christopher, Fallis, Ian Andrew

, Coles, Simon John and Hursthouse, Michael Barry 2003. Multidentate Lewis acids: synthesis, structure and mode of action of a redox-based fluoride ion sensor. Chemical Communications (7) , pp. 740-741. 10.1039/b200828a

Allemann, Rudolf Konrad

and Maglia, Giovanni 2003. Evidence for Environmentally Coupled Hydrogen Tunneling during Dihydrofolate Reductase Catalysis. Journal of the American Chemical Society 125 (44) , pp. 13372-13373. 10.1021/ja035692g

Amjad, Muhammad and Knight, David William 2003. A simple, two-step synthesis of 3-iodoindoles. Tetrahedron Letters 45 (3) , pp. 539-541. 10.1016/j.tetlet.2003.10.207

Attard, Gary Anthony, Ahmadi, Ahmad, Hazzazi, Omar A., Wells, Peter Bernard, Griffin, Ken G., Johnston, Peter and Gilles, Jennifer E. 2003. The Characterisation of Supported Platinum Nanoparticles on Carbon Used for Enantioselective Hydrogenation: A Combined Electrochemical-STM Approach. ChemPhysChem 4 (2) , pp. 123-130. 10.1002/cphc.200390021

Bagley, Mark Christopher, Dale, James W., Ohnesorge, Maren, Xiong, Xin and Bower, Justin 2003. A Facile Solution Phase Combinatorial Synthesis of Tetrasubstituted Pyridines Using the Bohlmann-Rahtz Heteroannulation Reaction. Journal of Combinatorial Chemistry 5 (1) , pp. 41-44. 10.1021/cc020067d

Baker, Robert James, Edwards, Peter

, Farley, Robert D., Murphy, Damien Martin

and Voss, Karen E. 2003. Low valent carbonylvanadium complexes of the triphosphorus macrocycle 12[ane]P3Et3. Dalton Transactions (5) , pp. 944-948. 10.1039/B211105P

Baker, Robert James, Jones, Cameron James and Platts, James Alexis

2003. Synthesis, structural and theoretical studies of an iron-gallium(I) heterocycle complex: analogies with N-heterocyclic carbene chemistry. Dalton Transactions (19) , pp. 3673-3674. 10.1039/B308616J

Baker, Robert James, Jones, Cameron and Platts, James Alexis

2003. Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes. Journal of the American Chemical Society 125 (35) , pp. 10534-10535. 10.1021/ja036933n

Bashir-Uddin Surfraz, M., Miller, David James., Gani, David and Allemann, Rudolf Konrad

2003. Product-like inhibitors of inositol monophosphatase. Tetrahedron Letters 44 (41) , pp. 7677-7679. 10.1016/S0040-4039(03)01878-1

Bonnet, Ludovic G., Douthwaite, Richard E. and Kariuki, Benson

2003. Synthesis of new chiral N-heterocyclic carbene-imine ligands and their application to an asymmetric allylic alkylation reaction. Organometallics 22 (21) , pp. 4187-4189. 10.1021/om034050z

Buurma, Niklaas Jan

, Blandamer, Michael J. and Engberts, Jan B. F. N. 2003. General-base catalysed hydrolysis and nucleophilic substitution of activated amides in aqueous solutions. Journal of Physical Organic Chemistry 16 (8) , pp. 438-449. 10.1002/poc.607

Carley, Albert Frederick, Davies, Philip Rosser

, Harikumar, K. R., Jones, Rhys Vaughan and Roberts, Meirion Wyn 2003. Oxygen states at magnesium and copper surfaces revealed by scanning tunneling microscopy and surface reactivity. Topics in Catalysis 24 (1-4) , pp. 51-59. 10.1023/B:TOCA.0000003076.82649.c4

Carley, Albert Frederick, Davies, Philip Rosser

, Jones, Rhys Vaughan, Harikumar, K. R., Roberts, Meirion Wyn and Welsby, Christopher J. 2003. A combined XPS/STM and TPD study of the chemisorption and reactions of methyl mercaptan at a Cu(110) surface. Topics in Catalysis 22 (3-4) , pp. 161-172. 10.1023/A:1023559516485

Casalegno, Mose, Mella, Massimo and Rappe, Andrew M. 2003. Computing accurate forces in quantum Monte Carlo using Pulay's corrections and energy minimization. The Journal of Chemical Physics 118 (16) , pp. 7193-7201. 10.1063/1.1562605

Casini, Angela

, Abbate, F., Scozzafava, A. and Supuran, C. T. 2003. Carbonic anhydrase inhibitors: X-ray crystallographic structure of the adduct of human isozyme II with a bis-sulfonamide - Two heads are better than one? Biorganic and Medicinal Chemistry Letters 13 (16) , pp. 2759-2763. 10.1016/S0960-894X(03)00508-0

Casini, Angela

, Antel, J, Abbate, F, Scozzafava, A, David, S, Waldeck, H, Schafer, S and Supuran, C. T. 2003. Carbonic anhydrase inhibitors: SAR and x-ray crystallographic study for the interaction of sugar sulfamates/sulfamides with Isozymes I, II and IV. Biorganic and Medicinal Chemistry Letters 13 (5) , pp. 841-845. 10.1016/S0960-894X(03)00029-5

Casini, Angela

, Caccia, S, Scozzafava, A and Supuran, C. T. 2003. Carbonic anhydrase activators. The selective serotonin reuptake inhibitors fluoxetine, sertraline and citalopram are strong activators of Isozymes I and II. Biorganic and Medicinal Chemistry Letters 13 (16) , pp. 2765-2768. 10.1016/S0960-894X(03)00507-9

Casini, Angela

, Scozzafava, A, Mincione, F, Menabuoni, L, Starnotti, M and Supuran, C. T. 2003. Carbonic anhydrase inhibitors: Topically acting antiglaucoma sulfonamides incorporating esters and amides of 3-and 4-carboxybenzolamide. Biorganic and Medicinal Chemistry Letters 13 (17) , pp. 2867-2873. 10.1016/S0960-894X(03)00580-8

Casini, Angela

, Winum, JY, Montero, JL, Scozzafava, A and Supuran, CT 2003. Carbonic anhydrase inhibitors: Inhibition of cytosolic isozymes I and II with sulfamide derivatives. Bioorganic & Medicinal Chemistry Letters 13 (5) , pp. 837-840. 10.1016/S0960-894X(03)00028-3

Chao, Mao-Hsun, Kariuki, Benson

, Collins, Steven P. and Laundy, David 2003. Design of a Solid Inclusion Compound with Optimal Properties as a Linear Dichroic Filter for X-ray Polarization Analysis. Angewandte Chemie International Edition 42 (26) , pp. 2982-2985. 10.1002/anie.200350891

Constable, E. C., Housecroft, C. E., Kariuki, Benson

, Neuburger, M. and Smith, C. B. 2003. Structural diversity in silver(I) complexes of 3,6-di(2-pyridyl)pyridazines. Australian Journal of Chemistry 56 (7) , pp. 653-655.

Constable, E. C., Kariuki, Benson

and Mahmood, A. 2003. New approaches to sugar-functionalised 2,2 ': 6 ',2 ''-terpyridines based upon tetrafluorophenoxy spacers; crystal and molecular structures of 4 '-(tetrafluoro-4-hydroxyphenyl)-2,2 ': 6 ',2 ''-terpyridine and 4 '-(4-methoxytetrafluorophenyl)-2,2 ': 6 ',2 ''-terpyridine. Polyhedron 22 (5) , pp. 687-698. 10.1016/S0277-5387(02)01400-6

Coombs, Deborah

, Aldridge, Simon, Coles, Simon J. and Hursthouse, Michael B. 2003. Influence of ligand steric bulk in the synthesis of transition-metal borylene complexes. Organometallics 22 (21) , pp. 4213-4217. 10.1021/om030489f

Coombs, Deborah L.

, Aldridge, Simon and Jones, Cameron 2003. Substitution chemistry of sterically demanding boryl ligands. Applied Organometallic Chemistry 17 (6-7) , pp. 356-360. 10.1002/aoc.426

Coombs, Deborah L.

, Aldridge, Simon, Jones, Cameron and Willock, David J.

2003. Cationic terminal borylenes by halide abstraction: Synthesis and spectroscopic and structural characterization of an FeB double bond. Journal of the American Chemical Society 125 (21) , pp. 6356-6357. 10.1021/ja0346936

Davies, Philip Rosser

and Newton, N. G. 2003. The chemisorption and decomposition of pyridine and ammonia at clean and oxidised Al(111) surfaces. Surface Science 546 (2-3) , pp. 149-158. 10.1016/j.susc.2003.09.032

Deligeorgopoulou, Athina, Taylor, Susan E., Forcat, Silvia and Allemann, Rudolf Konrad

2003. Stabilisation of eudesmane cation by tryptophan 334 during aristolochene synthase catalysis. Chemical Communications (17) , pp. 2162-2163. 10.1039/b306867f

Dias, Luiz C., Gonzaga De Oliveira, Luciana and de Sousa, Márcio A. 2003. Total synthesis of (−)-pironetin. Organic Letters 5 (3) , pp. 265-268. 10.1021/ol027211o

Dimitratos, Nikolaos

and Vedrine, J. C. 2003. Selective oxidation of propane on Cs2.5H1.5PV1WxMo11-xO40 heteropolyoxometallate compounds. Lennon, D., Hargreaves, J. and Jackson, S. D., eds. Catalysis in Application [proceedings of the International Symposium on Applied Catalysis to be held at the University of Glasgow on 16-18 July 2003], Special Publication - Royal Society of Chemistry, vol. 289. Cambridge: Royal Society of Chemistry, pp. 145-152. (10.1039/9781847550347-00145)

Dimitratos, Nikolaos

and Vedrine, J. C. 2003. Role of acid and redox properties on propane oxidative dehydrogenation over polyoxometallates. Catalysis Today 81 (4) , pp. 561-571. 10.1016/S0920-5861(03)00154-8

Dimitratos, Nikolaos

and Vedrine, J. C. 2003. Properties of Cs-2.5 salts of transition metal M substituted Keggin-type M1-xPV1MxMo11-xO40 heteropolyoxometallates in propane oxidation. Applied Catalysis A: General 256 (1-2) , pp. 251-263. 10.1016/S0926-860X(03)00405-8

El-Hiti, Gamal A. 2003. A convenient one step procedure for the formation of 2-substituted thiazolopyridines. Monatshefte für Chemie 134 (6) , pp. 837-841. 10.1007/s00706-002-0557-9

El-Hiti, Gamal A. 2003. A convenient procedure for the synthesis of novel modified 3 substituted 1H-quinoxaline-2-thiones via side-chain lithiation of 3-alkyl-1H-quinoxaline-2-thiones. Synthesis (Stuttgart) (18) , pp. 2799-2804. 10.1055/s-2003-42486

Elliott, Mark Christopher

and Williams, Eve 2003. Synthesis and reactions of partially reduced biisoquinolines. Organic & Biomolecular Chemistry 1 (17) , pp. 3038-3047. 10.1039/b306159k

Faulkner, Stephen and Pope, Simon J. A.

2003. Lanthanide-Sensitized Lanthanide Luminescence: Terbium-Sensitized Ytterbium Luminescence in a Trinuclear Complex. Journal of the American Chemical Society 125 (35) , pp. 10526-10527. 10.1021/ja035634v

Hammond, Charles R., Hutchings, Graham John

2003. A study of methane activation by modified gallium- and zinc-based catalysts. Research on Chemical Intermediates 29 (7-9) , pp. 911-920. 10.1163/156856703322601906

Harris, Lisa Dawn, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2003. Enhanced ππ interactions in α,β-unsaturated carbonyls. Organic and Biomolecular Chemistry 1 (3) , pp. 457-459. 10.1039/B210497K

Huque, Farah T. T. and Platts, James Alexis

2003. The effect of intramolecular interactions on hydrogen bond acidity. Organic and Biomolecular Chemistry 1 (8) , pp. 1419-1424. 10.1039/B300598D

Ingleson, M.J., Clarke, A., Mahon, M.F., Rourke, J.P.

and Weller, A.S. 2003. [Cp2ZrMe(12-mu-Me-1-closo-CB11HMe10)]: a transition metal complex of a highly-methylated carborane anion. Chemical Communications (15) , pp. 1930-1931. 10.1039/b304568d

Lamarche, Olivier J. and Platts, James Alexis

2003. Complementary nature of hydrogen bond basicity and acidity scales from electrostatic and atoms in molecules properties. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 5 (4) , pp. 677-684. 10.1039/B210210B

Lamarche, Olivier J. and Platts, James Alexis

2003. Atoms in molecules investigation of the pK(HB) basicity scale: electrostatic and covalent effects in hydrogen bonding. Chemical Physics Letters 367 (1-2) , pp. 123-128. 10.1016/S0009-2614(02)01581-6

Lawrence, S. C., Ward, Benjamin David

, Dubberley, S. R., Kozak, C. M. and Mountford, P. 2003. Highly efficient ethylene polymerisation by scandium alkyls supported by neutral fac-kappa(3) coordinated N-3 donor ligands. Chemical Communications (23) , pp. 2880-2881. 10.1039/B310867H

MacLean, Elizabeth J., Harris, Kenneth David Maclean

, Kitchin, Simon J., Tykwinski, Rik R., Swainson, Ian P. and Dunitz, Jack D. 2003. Ammonium cyanate shows N-H center dot center dot center dot N hydrogen bonding, not N-H center dot center dot center dot O. Journal of the American Chemical Society 125 (47) , pp. 14449-14451. 10.1021/ja021156x

Maglia, Giovanni, Javed, Masood H. and Allemann, Rudolf Konrad

2003. Hydride transfer during catalysis by dihydrofolate reductase from Thermotoga maritima. Biochemical Journal 374 (2) , pp. 529-535. 10.1042/BJ20030412

Mastrolorenzo, A., Zuccati, G., Massi, D., Gabrielli, M. G., Casini, Angela

, Scozzafava, A. and Supuran, C. T. 2003. Immunohistochemical study of carbonic anhydrase isozymes in human skin. European Journal of Dermatology 13 (5) , pp. 440-444.

Meejoo, S., Kariuki, Benson

2003. The interplay of aryl-perfluoroaryl stacking interactions and interstack hydrogen bonding in controlling the structure of a molecular cocrystal. Chemphyschem 4 (7) , pp. 766-769. 10.1002/cphc.200300762

Meejoo, S., Kariuki, Benson

, Kitchin, S. J., Cheung, E. Y., Albesa-Jove, D. and Harris, Kenneth David Maclean

2003. Structural aspects of the beta-polymorph of (E)-4-formylcinnamic acid: Structure determination directly from powder diffraction data and elucidation of structural disorder from solid-state NMR. Helvetica Chimica Acta 86 (5) , pp. 1467-1477. 10.1002/hlca.200390130

Mella, Massimo and Anderson, James B. 2003. Intermolecular forces and fixed-node diffusion Monte Carlo: A brute force test of accuracies for He2 and He-LiH. The Journal of Chemical Physics 119 (16) , pp. 8225-8228. 10.1063/1.1612479

Mella, Massimo and Clary, David C. 2003. Zero temperature quantum properties of small protonated water clusters (H2O)nH+ (n = 1–5). The Journal of Chemical Physics 119 (19) , pp. 10048-10062. 10.1063/1.1618222

Mirzaei, A. A,, Shaterian, H. R., Habibi, M., Hutchings, Graham John

2003. Characterisation of copper-manganese oxide catalysts: Effect of precipitate ageing upon the structure and morphology of precursors and catalysts. Applied Catalysis A: General 253 (2) , pp. 499-508. 10.1016/S0926-860X(03)00563-5

Mirzaei, A. A., Shaterian, H. R., Joyner, R. W., Stockenhuber, M., Taylor, Stuart H.

2003. Ambient temperature carbon monoxide oxidation using copper manganese oxide catalysts: Effect of residual Na+ acting as catalyst poison. Catalysis Communications 4 (1) , pp. 17-20. 10.1016/S1566-7367(02)00231-5

Mirzaei, Ali A., Shaterian, Hamid R., Taylor, Stuart H.

2003. Co-precipitated copper zinc oxide catalysts for ambient temperature carbon monoxide oxidation: Effect of precipitate aging atmosphere on catalyst activity. Catalysis Letters 87 (3-4) , pp. 103-108. 10.1023/A:1023416819195

Mountford, P. and Ward, Benjamin David

2003. Recent developments in the non-cyclopentadienyl organometallic and related chemistry of scandium. Chemical Communications (15) , pp. 1797-1803. 10.1039/B212813F

Mühlberger, René, Robelek, Rudolf, Eisenreich, Wolfgang, Ettenhuber, Christian, Sinner, Eva Kathrin, Kessler, Horst, Bacher, Adelbert and Richter, Gerald 2003. RNA DNA discrimination by the antitermination protein NusB. Journal of molecular biology 327 (5) , pp. 973-983. 10.1016/S0022-2836(03)00213-4

Polyansky, Oleg L., Csaszar, Attila G., Shirin, Sergei V., Zobov, Nikolai F., Barletta, Paolo, Tennyson, Jonathan, Schwenke, David W. and Knowles, Peter James

2003. High-Accuracy ab Initio Rotation-Vibration Transitions for Water. Science 299 (5606) , pp. 539-542. 10.1126/science.1079558

Pope, Simon J. A.

, Kenwright, Alan M., Heath, Sarah L. and Faulkner, Stephen 2003. Synthesis and luminescence properties of a kinetically stable dinuclear ytterbium complex with differentiated binding sites. Chemical Communications 2003 (13) , pp. 1550-1551. 10.1039/b303012a

Pope, Simon J. A.

, Kenwright, Alan M., Boote, Valerie A. and Faulkner, Stephen 2003. Synthesis and luminescence properties of dinuclear lanthanide complexes derived from covalently linked macrocyclic ligands. Dalton Transactions 2003 (19) , pp. 3780-3784. 10.1039/b309115e

Roy, Alexander B., Hewlins, Michael John Edward, Ellis, Andrew J., Harwood, John L.

and White, Graham Francis 2003. Glycolytic breakdown of sulfoquinovose in bacteria: a missing link in the sulfur cycle. Applied and Environmental Microbiology 69 (11) , pp. 6434-6441. 10.1128/AEM.69.11.6434-6441.2003

Russell, A. G., Spencer, N. S., Philp, D., Kariuki, Benson

and Snaith, J. S. 2003. The first spirobifluorenes containing two binaphthyl moieties. Organometallics 22 (26) , pp. 5589-5592. 10.1021/om030422s

Seeber, Georg, Long, De-Liang, Kariuki, Benson

and Cronin, Leroy 2003. Palladium(II)-based cis,trans-1,3,5-triaminocyclohexane complexes demonstrating a variety of coordination modes and architectures. Dalton Transactions (23) , pp. 4498-4504. 10.1039/B307616D

Shavaleev, Nail M., Moorcraft, Lucy P., Pope, Simon J. A.

, Bell, Zöe R., Faulkner, Stephen and Ward, Michael D. 2003. Sensitised near-infrared emission from lanthanides using a covalently-attached Pt(ii) fragment as an antenna group. Chemical Communications 2003 (10) , pp. 1134-1135. 10.1039/b301878d

Shavaleev, Nail M., Moorcraft, Lucy P., Pope, Simon J. A.

, Bell, Zöe R., Faulkner, Stephen and Ward, Michael D. 2003. Sensitized Near-Infrared Emission from Complexes of YbIII, NdIII and ErIII by Energy-Transfer from Covalently Attached PtII-Based Antenna Units. Chemistry - a European Journal 9 (21) , pp. 5283-5291. 10.1002/chem.200305132

Shavaleev, Nail M., Pope, Simon J. A.

, Bell, Zöe R., Faulkner, Stephen and Ward, Michael D. 2003. Visible-light sensitisation of near-infrared luminescence from Yb(iii), Nd(iii) and Er(iii) complexes of 3,6-bis(2-pyridyl)tetrazine. Dalton Transactions 2003 (5) , pp. 808-814. 10.1039/b300294b

Shrimpton, Paul, Mullaney, Alex and Allemann, Rudolf Konrad

2003. Functional role for Tyr 31 in the catalytic cycle of chicken dihydrofolate reductase. Proteins: Structure, Function and Bioinformatics 51 (2) , pp. 216-223. 10.1002/prot.10370

Simpkins, Simon M. E., Kariuki, Benson

, Arico, Caterina S. and Cox, Liam R. 2003. Stereoselective synthesis of beta-(Chloro)vinylsilanes using a regio- and (E)-stereoselective bis-stannylation of unsymmetrically substituted butadiynes: Application to the synthesis of a masked triyne. Organic Letters 5 (21) , pp. 3971-3974. 10.1021/ol035536e

Slater, J.W. and Rourke, J.P.

2003. Cyclometallated nitrogen heterocycles. Journal of Organometallic Chemistry 688 (1-2) , pp. 112-120. 10.1016/j.jorganchem.2003.08.038

Smith, Keith, El-Hiti, Gamal and Abdel-Megeed, M. F. 2003. Unexpected products from carbonylation of lithiated quinazolin-4(3H)-one derivatives. Russian Journal of Organic Chemistry = Zhurnal Organicheskoi Khimii 39 (3) , pp. 430-435. 10.1023/A:1025558201900

Smith, Keith, El-Hiti, Gamal A. and Hawes, Anthony C. 2003. Carbonylation of doubly lithiated N'-Aryl-N,N-dimethylureas: a novel approach to isatins via intramolecular trapping of acyllithiums. Synthesis (Stuttgart) (13) , pp. 2047-2052. 10.1055/s-2003-41019

Smith, Keith, El-Hiti, Gamal A., Jayne, Anthony J. and Butters, Michael 2003. Acetylation of aromatic ethers using acetic anhydride over solid acid catalysts in a solvent-free system. Scope of the reaction for substituted ethers. Organic & Biomolecular Chemistry 1 (9) , pp. 1560-1564. 10.1039/B301260C

Smith, Keith, El-Hiti, Gamal A. and Mahgoub, Safaa A. 2003. Lithiation and side-chain substitution of 3-alkyl-1H-quinoxalin-2-ones. Synthesis (Stuttgart) (15) , pp. 2345-2348. 10.1055/s-2003-41064

Smith, Keith, El-Hiti, Gamal, Jayne, Anthony J. and Butters, Michael 2003. Acylation of aromatic ethers over solid acid catalysts: scope of the reaction with more complex acylating agents. Organic & Biomolecular Chemistry 1 (13) , pp. 2321-2325. 10.1039/B303906D

Smith, Keith, Roberts, Simon D. and El-Hiti, Gamal A. 2003. Study of regioselective dialkylation of naphthalene in the presence of reusable zeolite catalysts. Organic & Biomolecular Chemistry 1 (9) , pp. 1552-1559. 10.1039/b212775j

Supuran, C. T., Casini, Angela

and Scozzafava, A 2003. Protease inhibitors of the sulfonamide type: Anticancer, antiinflammatory, and antiviral agents. Medicinal Research Reviews 23 (5) , pp. 535-558. 10.1002/med.10047

Supuran, CT, Scozzafava, A and Casini, Angela

2003. Carbonic anhydrase inhibitors. Medicinal Research Reviews 23 (2) , pp. 146-189. DOI: 10.1002/med.10025

Taylor, Stuart H.

and Mirzaei, A. A. 2003. The preparation and activity of copper zinc oxide catalysts for ambient temperature carbon monoxide oxidation. Catalysis Today 84 (3-4) , pp. 113-119. 10.1016/S0920-5861(03)00264-5

Taylor, Stuart H.

, Palacios-Alcolado, Maria-Luisa and Lee., D. F. 2003. The partial oxidation of propane to formaldehyde using uranium mixed oxide catalysts. Catalysis Today 81 (2) , pp. 171-178. 10.1016/S0920-5861(03)00110-X

Tippmann, Eric Michael, Holinga, George and Platz, Matthew S. 2003. Carbomethoxyfluorocarbene. Organic letters 5 (26) , pp. 4919-4922. 10.1021/ol035812p

Tippmann, Eric Michael and Platz, Matthew S. 2003. Laser Flash Photolysis Study of Chlorofluorocarbene. Journal of Physical Chemistry A 107 (41) , pp. 8547-8551. 10.1021/jp0345598

Tucker, Richard J., Fallis, Ian Andrew

, Farley, Robert Dexter, Murphy, Damien Martin

2003. An ENDOR and DFT analysis of 'solvatochromic' effects in an oxovanadium (IV) complex. Chemical Physics Letters 380 (5-6) , pp. 758-766. 10.1016/j.cplett.2003.09.077

Ward, Benjamin David

, Dubberley, S. R., Gade, L. H. and Mountford, P. 2003. Group 6 imido complexes supported by diamido-donor ligands. Inorganic Chemistry -American Chemical Society- 42 (16) , pp. 4961-4969. 10.1021/ic034377s

Werner, Hans-Joachim, Manby, Frederick R. and Knowles, Peter James

2003. Fast linear scaling second-order Møller-Plesset perturbation theory (MP2) using local and density fitting approximations. The Journal of Chemical Physics 118 (18) , pp. 8149-8160. 10.1063/1.1564816

Wilson, R. A., Rai, S., Maughan, W. N., Kremer, L., Kariuki, Benson

, Wagner, T., Besra, G. S. and Futterer, K. 2003. Crystallization and preliminary X-ray diffraction data of Mycobacterium tuberculosis FbpC1 (Rv3803c). Acta Crystallographica Section D - Biological Crystallography 59 , pp. 2303-2305. 10.1107/S0907444903020456

Winum, J. Y., Vullo, D, Casini, Angela

, Montero, J. L., Scozzafava, A and Supuran, C. T. 2003. Carbonic anhydrase inhibitors. Inhibition of cytosolic isozymes I and II and transmembrane, tumor-associated isozyme IX with sulfamates including EMATE also acting as steroid sulfatase inhibitors. Journal of Medicinal Chemistry 46 (11) , pp. 2197-2204. 10.1021/jm021124k

Winum, J. Y., Vullo, D, Casini, Angela

, Montero, J. L., Scozzafava, A and Supuran, C. T. 2003. Carbonic anhydrase inhibitors: Inhibition of transmembrane, tumor-associated isozyme IX, and cytosolic Isozymes I and II with aliphatic sulfamates. Journal of Medicinal Chemistry 46 (25) , pp. 5471-5477. 10.1021/jm030911u

Zeng, Yi-Bo, Yang, Nan, Liu, Wei-Sheng and Tang, Ning 2003. Synthesis, characterization and DNA-binding properties of La(III) complex of chrysin. Journal of Inorganic Biochemistry 97 (3) , pp. 258-264. 10.1016/S0162-0134(03)00313-1

Zhang, B., Taylor, Stuart H.

2003. Synthesis of methyl mercaptan and thiophene from CO/H2/H 2S using Î±-Al2O3. Catalysis Letters 91 (3-4) , pp. 181-183. 10.1023/B:CATL.0000007152.91400.95

2002

Aldridge, Simon, Calder, Richard J., Coombs, Deborah L.

, Jones, Cameron, Steed, Jonathan W., Coles, Simon and Hursthouse, Michael B. 2002. Intramolecular base-stabilised adducts of main group halides. New Journal of Chemistry 26 (6) , pp. 677-686. 10.1039/b110692a

Aldridge, Simon, Coombs, Deborah L.

and Jones, Cameron 2002. [(n5-C5H5)Fe(CO)2]2B(2,4,6-Me3C6H2): synthesis, spectroscopic and structural characterization of a transition metal complex containing an unsupported bridging borylene ligand. Chemical Communications (8) , pp. 856-857. 10.1039/b201415g

Attard, Gary Anthony, Harris, Catherine, Herrero, Enrique and Feliu, Juan 2002. The influence of anions and kink structure on the enantioselective electro-oxidation of glucose. Faraday Discussions 121 , pp. 253-266. 10.1039/b110764j

Battle, Andrew R., Platts, James Alexis

, Hambley, Trevor W. and Deacon, Glen B. 2002. Synthesis, spectroscopy, and theoretical studies of platinum(II) phosphate complexes. Journal of the Chemical Society, Dalton Transactions (9) , pp. 1898-1902. 10.1039/B111460N

Bender, M., Seiferth, O., Carley, Albert Frederick, Chambers, A., Freund, H. and Roberts, Meirion Wyn 2002. Electron, photon and thermally induced chemistry in alkali-NO coadsorbates on oxide surfaces. Surface Science 513 (1) , pp. 221-232. 10.1016/S0039-6028(02)01782-X

Butt, Afshan H., Kariuki, Benson

, Percy, Jonathan M. and Spencer, Neil S. 2002. Towards stable analogues of inositol phosphates: stereoselective syntheses of (α,α-difluoromethyl)phosphonic acid (DFMPA)-containing cyclohexanes. Chemical Communications (7) , pp. 682-683. 10.1039/b200560n

Calvert, Melanie J., Ashton, Peter R. and Allemann, Rudolf Konrad

2002. Germacrene A Is a Product of the Aristolochene Synthase-Mediated Conversion of Farnesylpyrophosphate to Aristolochene. Journal of the American Chemical Society 124 (39) , pp. 11636-11641. 10.1021/ja020762p

Calvert, Melanie J., Taylor, Susan E. and Allemann, Rudolf Konrad

2002. Tyrosine 92 of aristolochene synthase directs cyclisation of farnesyl pyrophosphate. Chemical Communications (20) , pp. 2384-2385. 10.1039/b206517g

Carley, Albert Frederick, Davies, Philip Rosser

, Jones, Rhys Vaughan, Harikumar, K. R. and Roberts, Meirion Wyn 2002. Atom resolved evidence for a defective chemisorbed oxygen state at a Mg(0001) surface. Chemical Communications- Royal Society of Chemistry (18) , pp. 2020-2021. 10.1039/b205212a

Casini, Angela

, Mincione, F, Vullo, D, Menabuoni, L, Scozzafava, A and Supuran, CT 2002. Carbonic anhydrase inhibitors with strong topical antiglaucoma properties incorporating a 4-(2-aminopyrimidin-4-yl-amino)-benzenesulfonamide scaffold. Journal of Enzyme Inhibition and Medicinal Chemistry 17 (1) , pp. 9-18. 10.1080/14756360290018602

Casini, Angela

, Scozzafava, A, Mincione, F, Menabuoni, L and Supuran, CT 2002. Carbonic anhydrase inhibitors: Synthesis of water soluble sulfonamides incorporating a 4-sulfamoylphenylmethylthiourea scaffold, with potent intraocular pressure lowering properties. Journal of Enzyme Inhibition and Medicinal Chemistry 17 (5) , pp. 333-343. 10.1080/1475636021000010950

Casini, Angela

, Scozzafava, A and Supuran, CT 2002. Sulfonamide derivatives with protease inhibitory action as anticancer, anti-inflammatory and antiviral agents. Expert Opinion on Therapeutic Patents 12 (9) , pp. 1307-1327. 10.1517/13543776.12.9.1307

Casini, Angela

, Scozzafava, A and Supuran, CT 2002. Cysteine-modifying agents: A possible approach for effective anticancer and antiviral drugs. Environmental Health Perspectives 110 , pp. 801-806.

Casini, Angela

, Scozzafava, Andrea, Mastrolorenzo, Antonio and Supuran, Claudiu T. 2002. Sulfonamides and sulfonylated derivatives as anticancer agents. Current Cancer Drug Targets 2 (1) , pp. 55-75. 10.2174/1568009023334060

Chao, Mao-Hsun, Harris, Kenneth D. M., Kariuki, Benson

, Bauer, Clare L. and Foxman, Bruce M. 2002. Characterization of intermolecular interactions in a disordered solid via a one-dimensional Patterson synthesis. Journal of Physical Chemistry B 106 (16) , pp. 4032-4035. 10.1021/jp014329y

Chiesa, M., Paganini, M. C., Giamello, E. and Murphy, Damien Martin

2002. O- radical ions on MgO: a tool for a structural description of the surface. Research on Chemical Intermediates 28 (2-3) , pp. 205-214. 10.1163/156856702320267118

Chiesa, Mario, Giamello, Elio, Paganini, Maria Cristina, Sojka, Zbigniew and Murphy, Damien Martin

2002. Continuous wave electron paramagnetic resonance investigation of the hyperfine structure of O-17(2)- adsorbed on the MgO surface. Journal of Chemical Physics 116 (10) , pp. 4266-4274. 10.1063/1.1447907

Collins, S. P., Laundy, D., Harris, K. D. M., Kariuki, Benson

, Bauer, C. L., Brown, S. D. and Thompson, P. 2002. X-ray linear dichroism in an α,ω-dibromoalkane/urea inclusion compound and its application to polarization analysis of magnetic diffraction. Journal of Physics: Condensed Matter 14 (1) , 123. 10.1088/0953-8984/14/1/311

Constable, Edwin C., Housecroft, Catherine E., Kariuki, Benson

, Kelly, Natalie and Smith, Christopher B. 2002. A near planar disilver complex of 3,6-bis(2-pyridyl)-1,2,4,5-tetrazine. Inorganic Chemistry Communications 5 (3) , pp. 199-202. 10.1016/S1387-7003(02)00329-5

Constable, Edwin C., Housecroft, Catherine E., Kariuki, Benson

, Kelly, Natalie and Smith, Christopher B. 2002. How well do we understand self-assembly algorithms? From prototype grid to polymers. Comptes Rendus Chimie 5 (5) , pp. 425-430. 10.1016/S1631-0748(02)01401-7

Coombs, Deborah

, Aldridge, Simon and Jones, Cameron 2002. Synthetic, structural and reaction chemistry of transition metal complexes containing the mesitylborylene ligand. Journal of the Chemical Society, Dalton Transactions (20) , pp. 3851-3858. 10.1039/b206348b

Crowley, Patrick J., Fawcett, John, Kariuki, Benson

, Moralee, Andrew C., Percy, Jonathan M. and Salafia, Vittoria 2002. Basic and reductive sulfone-directed ring-opening reactions of difluorinated oxa[2.2.1]bicycloheptanes. Organic Letters 4 (23) , pp. 4125-4128. 10.1021/ol0268743

Dickinson, Anthony A., Willock, David James

, Calder, Richard J. and Aldridge, Simon 2002. Analysis of Bonding in Cyclopentadienyl Transition-Metal Boryl Complexes. Organometallics 21 (6) , pp. 1146-1157. 10.1021/om0105122

El-Hiti, Gamal A., Abdel-Megeed, Mohamed F. and Zied, Tarek M. M. 2002. Synthesis and reactions of some 3 aryl-2-thioxoquinazolin-4(3H)-ones. Indian Journal of Chemistry Section B 41B , pp. 1519-1522. 10.1002/chin.200243189

Elliott, Mark Christopher

2002. Saturated oxygen heterocycles. Journal of the Chemical Society, Perkin Transactions 1 2002 (21) , pp. 2301-2323. 10.1039/b201515n

Elliott, Mark Christopher

and Long, Matthew S. 2002. Studies towards the total synthesis of Batzelladine A: synthesis of a model pyrrolo[1,2-c]pyrimidine. Tetrahedron Letters 43 (50) , pp. 9191-9194. 10.1016/S0040-4039(02)02261-X

Elliott, Mark Christopher

, Williams, Eve and Howard, Siân T. 2002. Synthesis and properties of a chiral bis-tetrahydroisoquinoline proton sponge. Journal of the Chemical Society, Perkin Transactions 2 2002 (2) , pp. 201-203. 10.1039/b110499n

Farley, Robert D., Hoefer, Peter, Maher, John P., McCleverty, JA, Murphy, Damien Martin

, Rowlands, Christopher C., Ung, Van A. and Ward, Michael D. 2002. An ENDOR study of oxomolybdenum(V) tris(pyrazolyl)borate complexes; identification of couplings to boron and other. Magnetic Resonance in Chemistry 40 (11) , pp. 683-686. 10.1002/mrc.1090

Greig, Lyndsey M., Kariuki, Benson

, Habershon, Scott, Spencer, Neil, Johnston, Roy L., Harris, Kenneth D. M. and Philp, Douglas 2002. Solid-state and solution phase reactivity of 10-hydroxy-10,9-boroxophenanthrene: a model building block for self-assembly processes. New Journal of Chemistry 26 (6) , pp. 701-710. 10.1039/b110285k

Hargreaves, J. S. J., Hutchings, Graham John

, Joyner, R. W. and Taylor, Stuart H.

2002. A study of the methane-deuterium exchange reaction over a range of metal oxides. Applied Catalysis A: General 227 (1-2) , pp. 191-200. 10.1016/S0926-860X(01)00935-8

Harris, Kenneth D. M., Johnston, Roy L., Cheung, Eugene Y., Turner, Giles W., Habershon, Scott, Albesa-Jové, David, Tedesco, Emilio and Kariuki, Benson

2002. Recent advances in opportunities for solving molecular crystal structures directly from powder diffraction data: new insights in crystal engineering contexts. Crystengcomm 4 (63) , pp. 356-367. 10.1039/B202832H

Harris, Kenneth David Maclean

, Johnston, R. L., Turner, G. W., Tedesco, E., Cheung, E. Y. and Kariuki, Benson

2002. Recent advances in the opportunities for solving molecular crystal structures directly from powder diffraction data. Molecular Crystals and Liquid Crystals 389 (1) , pp. 123-129. 10.1080/713738904

Harris, Richard Huw, Boyd, Vicki J., Hutchings, Graham John

2002. Water as a promoter of the complete oxidation of volatile organic compounds over uranium oxide catalysts. Catalysis Letters 78 (1-4) , pp. 369-372. 10.1023/A:1014916920128

Harrisson, S., Rourke, J.P.

and Haddleton, D.M. 2002. C-13 kinetic isotope effects in the copper(I)-mediated living radical polymerization of methyl methacrylate. Chemical Communications (14) , pp. 1470-1471. 10.1039/b203675d

Hix, Gary B., Turner, Adele, Kariuki, Benson

, Tremayne, Maryjane and MacLean, Elizabeth J. 2002. Strategies for the synthesis of porous metal phosphonate materials. J. Mater. Chem. 12 (11) , pp. 3220-3227. 10.1039/B204131F

Howard, Sian T., Platts, James Alexis

and Coogan, Michael Peter 2002. Relationships between basicity, structure, chemical shift and the charge distribution in resonance-stabilized iminoamines. Journal of the Chemical Society - Perkins Transactions 2 (5) , pp. 899-905. 10.1039/B200899H

Ingvarsdóttir, Anna, Birkett, Michael A, Duce, Ian, Genna, Richard L, Mordue, William, Pickett, John A

, Wadhams, Lester J and Mordue Luntz, A Jennifer 2002. Semiochemical strategies for sea louse control: host location cues. Pest Management Science 58 (6) , pp. 537-545. 10.1002/ps.510

Jauslin, Matthias L., Wirth, Thomas

, Meier, Thomas and Schoumacher, Fabrice 2002. A cellular model for Friedreich Ataxia reveals small-molecule glutathione peroxidase mimetics as novel treatment strategy. Human Molecular Genetics 11 (24) , pp. 3055-3063. 10.1093/hmg/11.24.3055

Jiang, Q., Womersley, M.N., Thomas, P.A., Rourke, J.P.

, Hutton, K.B. and Ward, R.C.C. 2002. Ferroelectric, conductive, and dielectric properties of KTiOPO4 at low temperature. Physical Review B 66 (9) , p. 8. 10.1103/PhysRevB.66.094102

Kariuki, Benson

, Lee, Sang-Ok, Harris, Kenneth D. M., Kim, Hong-Seok, Do, Kyung-Soon and Kim, Kyung-Il 2002. Structural Rationalization of a Highly Selective Ammonium Ionophore. Crystal Growth & Design 2 (4) , pp. 309-311. 10.1021/cg020008f

Kariuki, Benson

, Owton, W. Martin, Percy, Jonathan M., Pintat, Stéphane, Smith, Clive A., Spencer, Neil S., Thomas, Andrew C. and Watson, Martin 2002. Rapid assembly of highly-functionalised difluorinated cyclooctenones via ring-closing metathesis. Chemical Communications (3) , pp. 228-229. 10.1039/b109651f

Kohler, Ursina and Allemann, Rudolf Konrad

2002. Transcription factors. Creighton, T. E., ed. Encyclopedia of Molecular Biology, Oxford: Wiley, (10.1002/047120918X.emb1569)

Lamarche, Olivier J. and Platts, James Alexis

2002. Theoretical prediction of the hydrogen-bond basicity pKHB. Chemistry-a European Journal 8 (2) , pp. 457-466. 10.1002/1521-3765(20020118)8:2<457::AID-CHEM457>3.0.CO;2-5

Maestrelli, F., Mura, P., Casini, Angela

, Mincione, F., Scozzafava, A. and Supuran, C.T. 2002. Cyclodextrin complexes of sulfonamide carbonic anhydrase inhibitors as long-lasting topically acting antiglaucoma agents. Journal of Pharmaceutical Sciences 91 (10) , pp. 2211-2219. 10.1002/jps.10215

Menaa, Bouzid, Kariuki, Benson

and Shannon, Ian J. 2002. Preparation using metal oxide precursors and crystal structures of the copper and zinc vinylphosphonate materials M(O3PC2H3)·H2O (M?=?Cu, Zn)Electronic supplementary information (ESI) available: rotatable 3-D crystal structure diagrams in CHIME format. See http://www.rsc.org/suppdata/nj/b2/b200438k/. New Journal of Chemistry 26 (7) , pp. 906-909. 10.1039/b200438k

Morales, Angeles Farrán, Accorsi, Gianluca, Armaroli, Nicola, Barigelletti, Francesco, Pope, Simon J. A.

and Ward, Michael D. 2002. Interplay of Light Antenna and Excitation “Energy Reservoir” Effects in a Bichromophoric System Based on Ruthenium−Polypyridine and Pyrene Units Linked by a Long and Flexible Poly(ethylene glycol) Chain. Inorganic Chemistry 41 (25) , pp. 6711-6719. 10.1021/ic025811d

Murphy, Damien Martin

, Farley, Robert Dexter, Tucker, Richard J., Avery, Karen L. and Willock, David James

2002. Conformational changes of an oxovanadium complex probed by ENDOR spectroscopy and DFT calculations. Physical Chemistry Chemical Physics 4 (20) , pp. 4937-4943. 10.1039/b204564h

Nummela, Jeremiah A. and Carpenter, Barry K.

2002. Nonstatistical Dynamics in Deep Potential Wells: A Quasiclassical Trajectory Study of Methyl Loss from the Acetone Radical Cation. Journal of the American Chemical Society 124 (29) , pp. 8512-8513. 10.1021/ja026230q

Purnell, Ian J., Chiesa, Mario, Farley, Robert D., Murphy, Damien Martin

, Rowlands, Christopher C., Paganini, Maria Cristina and Giamello, Elio 2002. Heterogeneity of surface colour centres on alkaline earth metal oxides as revealed through EPR/ENDOR spectroscopy. Magnetic Resonance in Chemistry 40 (6) , pp. 381-386. 10.1002/mrc.1028

Redman, James Edward

, Wilcoxen, Keith M. and Ghadiri, M. Reza 2002. Automated mass spectrometric sequence determination of cyclic peptide library members. Journal of Combinatorial Chemistry 5 (1) , pp. 33-40. 10.1021/cc0200639

Reyes, Mayra B., Lobkovsky, Emil B. and Carpenter, Barry K.

2002. Interplay of Orbital Symmetry and Nonstatistical Dynamics in the Thermal Rearrangements of Bicyclo[n.1.0]polyenes. Journal of the American Chemical Society 124 (4) , pp. 641-651. 10.1021/ja017083j

Rodriguez, Gema, Albrecht, Martin, Schoenmaker, Jeroen, Ford, Alan, Lutz, Martin, Spek, Anthony L. and Van Koten, Gerard 2002. Bifunctional Pincer-type Organometallics as Substrates for Organic Transformations and as Novel Building Blocks for Polymetallic Materials. Journal of the American Chemical Society 124 (18) , pp. 5127-5138. 10.1021/ja0177657

Rourke, J.P.

, Stringer, G., Chow, P., Deeth, R.J., Yufit, D.S., Howard, J.A.K. and Marder, T.B. 2002. Mechanism of formation of [(PMe3)(3)Rh(-C equivalent to C-R)(2)(H)] via C-H oxidative addition: Isomerization, alkyne exchange, and hydride replacement. Organometallics 21 (2) , pp. 429-437. 10.1021/om010685r

Schoumacher, Fabrice, Jauslin, Matthias L., Wirth, Thomas

and Meier, Thomas 2002. A cellular model for Friedrich ataxia and its application in drug discovery. Neuromuscular Disorders 12 (7-8) , p. 774.

Scozzafava, A, Casini, Angela

and Supuran, CT 2002. Targeting cysteine residues of biomolecules: New approaches for the design of antiviral and anticancer drugs. Current Medicinal Chemistry 9 (12) , pp. 1167-1185. 10.2174/0929867023370077#sthash.8XxGycVL.dpuf

Seeber, Georg, Kariuki, Benson

and Cronin, Leroy 2002. Self-assembly of a twelve-component hexanuclear metallomacrocycle constructed with a novel tri-amino ligand. Chemical Communications (23) , pp. 2912-2913. 10.1039/b209493m

Shrimpton, Paul and Allemann, Rudolf Konrad

2002. Role of water in the catalytic cycle of E. coli dihydrofolate reductase. Protein Science 11 (6) , pp. 1442-1451. 10.1110/ps.5060102

Skinner, Michael E. G., Tyrrell, Ben R., Ward, Benjamin David

and Mountford, Philip 2002. New N- and O-donor ligand environments in organoscandium chemistry. Journal of Organometallic Chemistry 647 (1-2) , pp. 145-150. 10.1016/S0022-328X(01)01359-6

Slater, J.W., Lydon, D.P. and Rourke, J.P.

2002. Doubly cyclopalladated pyridazines: chiral liquid crystals. Journal of Organometallic Chemistry 645 (1-2) , pp. 246-255. 10.1016/S0022-328X(01)01330-4

Smith, Keith 2002. Organoboron chemistry. Schlosser, M., ed. Organometallics in Synthesis: A Manual, 2nd edition, Chichester: Wiley, pp. 465-533.

Smith, Keith and El-Hiti, Gamal 2002. Aiming for greener chemical processes: the Centre for Clean Chemistry in Swansea has been recognised for its work on selective aromatic substitution reactions. Green Chemistry Research Network NewsLett. (GCRN) 2 , pp. 5-6.

Smith, Christopher B., Constable, Edwin C., Housecroft, Catherine E. and Kariuki, Benson

2002. Formation of a [1?+?1] metallomacrocycle from a heterotritopic ligand containing two terpy and one bipy metal-binding domains. Chem. Commun. (18) , pp. 2068-2069. 10.1039/B205233D

Smith, Keith, Almeer, Saeed, Black, Steven J. and Peters, Christelle 2002. Development of a system for clean and regioselective mononitration of aromatic compounds involving a microporous solid, dinitrogen tetroxide and air. Journal of Materials Chemistry 12 (11) , pp. 3285-3289. 10.1039/b204088c

Smith, Keith and Liu, Chia-Hui 2002. Asymmetric epoxidation using a singly-bound supported Katsuki-type (salen)Mn complex. Chemical Communications (8) , pp. 886-887. 10.1039/b200246a

Smith, R. D., Bennett, R. A. and Bowker, Michael

2002. Measurement of the surface-growth kinetics of reduced TiO2(110) during reoxidation using time-resolved scanning tunneling microscopy. Physical Review B: Condensed Matter and Materials Physics 66 , 035409. 10.1103/PhysRevB.66.035409

Taylor, Susan E., Rutherford, Trevor J. and Allemann, Rudolf Konrad

2002. Design of a folded, conformationally stable oxaloacetate decarboxylase. Journal of the Chemical Society, Perkin Transactions 2 2 (4) , pp. 751-755. 10.1039/b200057c

Uehlin, Lars, Fragale, Gianfranco and Wirth, Thomas

2002. New and Efficient Chiral Selenium Electrophiles. Chemistry - A European Journal 8 (5) , pp. 1125-1133. 10.1002/1521-3765(20020301)8:5<1125::AID-CHEM1125>3.0.CO;2-I

Ward, Benjamin David

, Clot, E., Dubberley, S. R., Gade, L. H. and Mountford, P. 2002. Synthesis and reactivity of the imidotungsten methyl cation [W(N(2)Npy)(NPh)Me](+): CO2 adds to the W=NPh bond and does not insert into the W-Me bond. Chemical Communications (22) , pp. 2618-2619. 10.1039/B208327B

Ward, Benjamin David

, Dubberley, S. R., Maisse-Francois, A., Gade, L. H. and Mountford, P. 2002. Scandium chloride, alkyl and phenyl complexes of diamido-donor ligands. Journal of the Chemical Society, Dalton Transactions (24) , pp. 4649-4657. 10.1039/B209382K

Whittle, D. M., Mirzaei, A. A., Hargreaves, J. S. J., Joyner, R. M., Kiely, Christopher John

2002. Co-precipitated copper zinc oxide catalysts for ambient temperature carbon monoxide oxidation: Effect of precipitate ageing on catalyst activity. Physical Chemistry Chemical Physics 4 (23) , pp. 5915-5920. 10.1039/b207691h

2001

Abdel-Megeed, Mohamed F., El-Hiti, Gamal A. and Zied, Tarek M. 2001. Synthesis of Some Hydrazones and Osazones Containing Bromoquinazolines As Biologically Active Compounds. Delta Journal of Science 25 (1) , pp. 32-38.

Abraham, Michael H. and Platts, James Alexis

2001. Hydrogen bond structural group constants. Journal of Organic Chemistry 66 (10) , pp. 3484-3491. 10.1021/jo001765s

Arnold, P. L., Blake, A. J., Hall, S. N., Ward, Benjamin David

and Wilson, C. 2001. A functional model for lanthanide doped silicate materials: synthesis of an apically substituted samarium silsesquioxane complex. Dalton Transactions (4) , pp. 488-491. 10.1039/B009123P

Attard, Gary Anthony 2001. Electrochemical Studies of Enantioselectivity at Chiral Metal Surfaces. Journal of Physical Chemistry B 105 (16) , pp. 3158-3167. 10.1021/jp0041508

Burpee, S. J., French, A. N., Haas, J. and Wirth, Thomas

2001. Progress in a computational investigation of conformers of chiral hypervalent iodine compounds. Abstracts of Papers of the American Chemical Society 221 , U170-U171.

Buurma, Niklaas Jan

, Pastorello, Laura, Blandamer, Michael J. and Engberts, Jan B. F. N. 2001. Kinetic Evidence for Hydrophobically Stabilized Encounter Complexes Formed by Hydrophobic Esters in Aqueous Solutions Containing Monohydric Alcohols. Journal of the American Chemical Society 123 (48) , pp. 11848-11853. 10.1021/ja010617w

Casini, Angela

, Messori, Luigi, Orioli, Pierluigi, Gielen, Marcel, Kemmer, Martine and Willem, Rudolph 2001. Interactions of two cytotoxic organotin(IV) compounds with calf thymus DNA. Journal of Inorganic Biochemistry 85 (4) , pp. 297-300. 10.1016/S0162-0134(01)00215-X

Chiesa, Mario, Paganini, Maria Cristina, Giamello, Elio and Murphy, Damien Martin

2001. Partial ionization of cesium atoms at point defects over polycrystalline magnesium oxide. Journal of Physical Chemistry B 105 (43) , pp. 10457-10460. 10.1021/jp0118470

Cooper, Christopher Anthony, Hammond, Charles R., Hutchings, Graham John

and Tabata, Kenji 2001. The role of gallium oxide in methane partial oxidation catalysts: an experimental and theoretical study. Studies in Surface Science and Catalysis 136 , pp. 319-324.

Cooper, Christopher Anthony, Hammond, Charles R., Hutchings, Graham John

and Tabata, Kenji 2001. A combined experimental and theoretical approach to the study of methane activation over oxide catalysts. Catalysis Today 71 (1-2) , pp. 3-10. 10.1016/S0920-5861(01)00446-1

Cousins, Graham R. L., Furlan, Ricardo L. E., Ng, Yiu-Fai, Redman, James Edward

and Sanders, Jeremy K. M. 2001. Identification and Isolation of a Receptor for N-Methyl Alkylammonium Salts: Molecular Amplification in a Pseudo-peptide Dynamic Combinatorial Library. Angewandte Chemie International Edition 40 (2) , pp. 423-428. 10.1002/1521-3773(20010119)40:2<423::AID-ANIE423>3.0.CO;2-6

Dias, Luiz C. and Gonzaga De Oliveira, Luciana 2001. Total synthesis of (+)-crocacin C. Organic Letters 3 (24) , pp. 3951-3954. 10.1021/ol016845c

Eastoe, Julian, Paul, Alison

, Nave, Sandrina, Steytler, David C., Robinson, Brian H., Rumsey, Emily, Thorpe, Matthew and Heenan, Richard K. 2001. Micellization of Hydrocarbon Surfactants in Supercritical Carbon Dioxide. Journal of the American Chemical Society 123 (5) , pp. 988-989. 10.1021/ja005795o

El-Hiti, Gamal A. 2001. Recent advances in the synthesis of sulfonic acids. Sulfur Reports 22 , pp. 217-250. 10.1080/01961770108047962

Elliott, Mark Christopher

, Galea, Natasha, Long, Matthew S. and Willock, David James

2001. Highly diastereoselective dimerisation of alkenylthiazolines. Tetrahedron Letters 42 (29) , pp. 4937-4939. 10.1016/S0040-4039(01)00886-3

Elliott, Mark Christopher

, Kruiswijk, Elbertus and Long, Matthew S. 2001. Annulation reactions of azoles and azolines with heterocumulenes. Tetrahedron 57 (31) , pp. 6651-6677. 10.1016/S0040-4020(01)00442-2

Elliott, Mark Christopher

, Kruiswijk, Elbertus and Willock, David James

2001. Asymmetric hetero-Diels-Alder reactions. Reactions of oxazolo[3,2-c]pyrimidines. Tetrahedron 57 (51) , pp. 10139-10146. 10.1016/S0040-4020(01)01032-8

Elliott, Mark Christopher

and Williams, Eve 2001. Saturated oxygen heterocycles. Journal of the Chemical Society, Perkin Transactions 1 2001 (19) , pp. 2303-2340. 10.1039/b007290g

Errington, R. J., Wingad, Richard L., Clegg, Wiliam and Elsegood, Mark R. J. 2001. Direct bromination of Keggin fragments to give [PW9O28Br6]3-: A polyoxotungstate with a hexabrominated face. ChemInform 32 (5) 10.1002/chin.200105019

Kelly, Mark J. S., Ball, Linda J., Krieger, Cornelia, Yu, Yihua, Fischer, Markus, Schiffmann, Susanne, Schmieder, Peter, Kuhne, Ronald, Bermel, Wolfgang, Bacher, Adelbert, Richter, Gerald and Oschkinat, Hartmut 2001. The NMR structure of the 47-kDa dimeric enzyme 3,4-dihydroxy-2-butanone-4-phosphate synthase and ligand binding studies reveal the location of the active site. Proceedings of the National Academy of Sciences 98 (23) , pp. 13025-13030. 10.1073/pnas.231323598

Lamarche, Olivier J., Platts, James Alexis

and Hersey, Anne 2001. Theoretical prediction of the polarity/polarizability parameter pi(H)(2). Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 3 (14) , pp. 2747-2753. 10.1039/B102708P

Manby, F. R. and Knowles, Peter James

2001. Poisson equation in the Kohn-Sham Coulomb problem. Physical Review Letters 87 (16) , 163001. 10.1103/PhysRevLett.87.163001

Manby, F. R., Knowles, Peter James

and Lloyd, A. W. 2001. The Poisson equation in density fitting for the Kohn-Sham Coulomb problem. Journal of chemical physics 115 (20) , pp. 9144-9148. 10.1063/1.1414370

McGuinness, David S., Cavell, Kingsley John, Yates, Brian F., Skelton, Brian W. and White, Allan H. 2001. Oxidative addition of the imidazolium cation to zerovalent Ni, Pd, and Pt: a combined density functional and experimental study. Journal of the American Chemical Society 123 (34) , pp. 8317-8328. 10.1021/ja010628p

McGuinness, David S., Saendig, Nadja, Yates, Brian F. and Cavell, Kingsley John 2001. Kinetic and Density Functional Studies on Alkyl-Carbene Elimination from PdII Heterocylic Carbene Complexes: A New Type of Reductive Elimination with Clear Implications for Catalysis. Journal of the American Chemical Society 123 (17) , pp. 4029-4040. 10.1021/ja003861g

Mincione, Francesco, Starnotti, Michele, Menabuoni, Luca, Scozzafava, Andrea, Casini, Angela

and Supuran, Claudiu. T 2001. Carbonic anhydrase inhibitors: 4-sulfamoyl-benzenecarboxamides and 4-chloro-3-sulfamoyl-benzenecarboxamides with strong topical antiglaucoma properties. Biorganic and Medicinal Chemistry Letters 11 (13) , pp. 1787-1791. 10.1016/S0960-894X(01)00303-1

Moulijn, Jacob, Diepen, A. E. van and Kapteijn, Freek 2001. Catalyst deactivation: Is it predictable? What to do? Applied Catalysis A General 212 (1-2) , pp. 3-16. 10.1016/S0926-860X(00)00842-5

Murphy, Damien Martin

and Rowlands, Christopher C. 2001. Recent applications of electron magnetic resonance (EMR) techniques in heterogeneous catalysis. Current Opinion in Solid State and Materials Science 5 (1) , pp. 97-104.

Newman, C.P., Cave, G.W.V., Wong, M., Errington, W., Alcock, N.W. and Rourke, J.P.

2001. Di-metallated platinum carbonyl complexes: platinum-platinum interactions in the solid state. JOURNAL OF THE CHEMICAL SOCIETY-DALTON TRANSACTIONS (18) , pp. 2678-2682. 10.1039/b105073g

Platts, James Alexis

2001. Theoretical electron densities in transition metal dihydrides. Journal of Molecular Structure - THEOCHEM 545 (1) , pp. 111-118. 10.1016/S0166-1280(01)00392-X

Platts, James Alexis

, Abraham, M. H., Zhao, Yuan H., Hersey, Anne, Ijaz, Luke and Butina, Darko 2001. Correlation and prediction of a large blood-brain distribution data set - an LFER study. European Journal of Medicinal Chemistry 36 (9) , pp. 719-730. 10.1016/S0223-5234(01)01269-7

Pope, Simon J. A.

, Rice, Craig R., Ward, Michael D., Morales, Angeles Farran, Accorsi, Gianluca, Armaroli, Nicola and Barigelletti, Francesco 2001. Folding of a poly(oxyethylene) chain as probed by photoinduced energy transfer between Ru– and Os–polypyridine termini. Journal of the Chemical Society, Dalton Transactions 2001 (15) , pp. 2228-2231. 10.1039/b104637n

Rourke, J.P.

, Batsanov, A.S., Howard, J.A.K. and Marder, T.B. 2001. Regiospecific high yield reductive coupling of diynes to give a luminescent rhodium complex. Chemical Communications (24) , pp. 2626-2627. 10.1039/b108625a

Rourke, J.P.

, Slater, J.W. and Lydon, D.P. 2001. Cyclometallation of pyridazines. Abstracts of Papers of the American Chemical Society 222 , U606-U606.

Salomon, Michael, Eisenreich, Wolfgang, Dürr, Harald, Schleicher, Erik, Knieb, Elke, Massey, Vincent, Rüdiger, Wolfhart, Müller, Franz, Bacher, Adelbert and Richter, Gerald 2001. An optomechanical transducer in the blue light receptor phototropin from Avena sativa. Proceedings of the National Academy of Sciences 98 (22) , pp. 12357-12361. 10.1073/pnas.221455298

Saunders, Robert Alun and Platts, James Alexis

2001. Linear free energy relationship analysis of the solubility of solids in supercritical CO2. Journal of Physical Organic Chemistry 14 (9) , pp. 612-617. 10.1002/poc.408

Slater, J.W., Lydon, D.P., Alcock, N.W. and Rourke, J.P.

2001. Doubly cyclometalated pyridazines: Contrasting behavior with palladium and platinum. Organometallics 20 (21) , pp. 4418-4423. 10.1021/om010449g

Smith, Keith 2001. Introduction. Sulfur Reports 22 (3) , p. 215. 10.1080/01961770108047961

Smith, Keith, Almeer, Saeed and Peters, Christelle 2001. Regioselective mononitration of aromatic compounds by zeolite/dinitrogen tetroxide/air in a solvent-free system. Chemical Communications (24) , pp. 2748-2749. 10.1039/b108952h

Taylor, Susan E., Rutherford, Trevor J. and Allemann, Rudolf Konrad

2001. Design, synthesis and characterisation of a peptide with oxaloacetate decarboxylase activity. Biorganic and Medicinal Chemistry Letters 11 (19) , pp. 2631-2635. 10.1016/S0960-894X(01)00519-4

Taylor, Stuart H.

, Harris, Richard Huw, Hutchings, Graham John

and Boyd, Vicki J. 2001. Water as a promoter of VOC destruction over uranium oxide catalysts. Abstracts of papers of the American Chemical Society 222 , U378-U379.

Traa, Yvonne, Murphy, Damien Martin

, Farley, Robert D. and Hutchings, Graham John

2001. An EPR study on the enantioselective aziridination properties of a CuNaY zeolite. Physical Chemistry Chemical Physics 3 (6) , pp. 1073-1080. 10.1039/B010083H

Uehlin, Lars and Wirth, Thomas

2001. Mixed acetals as new precursors for selenium electrophiles. Phosphorus, Sulfur and Silicon and the Related Elements 171 (1) , pp. 189-194. 10.1080/10426500108046650

Uehlin, Lars and Wirth, Thomas

2001. Chiral selenium electrophiles on solid-support. Chimia 55 (1-2) , pp. 65-67.

Uehlin, Lars and Wirth, Thomas

2001. Novel polymer-bound chiral selenium electrophiles. Organic Letters 3 (18) , pp. 2931-2933. 10.1021/ol0164435

Wirth, Thomas

2001. IBX - New reactions with an old reagent. Angewandte Chemie - International Edition 40 (15) , pp. 2812-2814. 10.1002/1521-3773(20010803)40:15<2812::AID-ANIE2812>3.0.CO;2-X

Zeng, Yi-Bo, Xu, Hong-Ping, Liu, Hui-Tao, Wang, Ke-Tai, Chen, Xing-Guo, Hu, Zhi-De and Fan, Bo-tao 2001. Application of artificial neural networks in multifactor optimization of an on-line microwave FIA system for catalytic kinetic determination of ruthenium (III). Talanta 54 (4) , pp. 603-609. 10.1016/S0039-9140(00)00673-1

Zhao, Yuan H., Le, Joelle, Abraham, Michael H., Hersey, Anne, Eddershaw, Peter J., Luscombe, Chris N., Boutina, Darko, Beck, Gordon, Sherborne, Brad, Cooper, Ian and Platts, James Alexis

2001. Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. Journal of Pharmaceutical Sciences 90 (6) , pp. 749-784. 10.1002/jps.1031

2000

Abdel-Megeed, Mohamed F., El-Hiti, Gamal A., Abdo, Mohamed A. and Saleh, Mohamed A. 2000. A convenient synthesis of novel N-glycosides of 3-(aminophenyl)-4(3H)-quinazolinone derivatives. Revue Roumaine de Chimie 45 (6) , pp. 545-553.

Abraham, Michael H., Du, Chau My and Platts, James Alexis

2000. Lipophilicity of the nitrophenols. Journal of Organic Chemistry 65 (21) , pp. 7114-7118. 10.1021/jo000840w

Brown, A. S. C., Hargreaves, J. S. C. and Taylor, Stuart H.

2000. Application of 'superacidic' metal oxides and their platinum doped counterparts to methane combustion. Catalysis Today 59 (3) , pp. 403-409. 10.1016/S0920-5861(00)00305-9

Cakmak, Osman, Kahveci, Ismail, Demirtas, Ibrahim, Hokelek, Tuncer and Smith, Keith 2000. Bromination of tetralin. Short and efficient synthesis of 1,4-dibromonaphthalene. Collection of Czechoslovak chemical communications 65 (11) , pp. 1791-1804. 10.1135/cccc20001791

Cave, G.W.V., Fanizzi, F.P., Deeth, R.J., Errington, W. and Rourke, J.P.

2000. C-H activation induced by water. Monocyclometalated to dicyclometalated: C boolean AND N boolean AND C tridentate platinum complexes. Organometallics 19 (7) , pp. 1355-1364. 10.1021/om9910423

Dervisi, Athanasia

, Edwards, Peter Gerald

and Tooze, Robert P. 2000. Synthesis and chemistry of diphenyl-2-pyridylphosphine complexes of palladium(0). X-Ray characterisation of Pd(Ph2Ppy)2(?2-DMAD) and trans-Pd(Ph2Ppy)2(PhC?CH2)(CF3CO2). Journal of the Chemical Society, Dalton Transactions 2000 (4) , pp. 523-528. 10.1039/a908050c

El-Hiti, Gamal A. 2000. Novel sugar (quinazolin-4-yl)hydrazones and dihydrazones (osazones) as potential antimicrobial agents. Alexandria Journal of Pharmaceutical Sciences 14 (2) , pp. 37-40.

El-Hiti, Gamal A. 2000. Synthesis of substituted quinazolin-4(3h)-ones and quinazolines via directed lithiation. Heterocyles 53 (8) , pp. 1839-1868. 10.3987/REV-00-535

El-Hiti, Gamal A., Abdel-Megeed, Mohamed F. and Mahmoud, Yehia A.-G. 2000. Synthesis and antimicrobial activities of novel sugar (2-phenylquinazolin-4-yl)hydrazones and their osazones. Indian Journal of Chemistry Section B 39B (5) , pp. 368-376. 10.1002/chin.200103194

Elliott, Mark Christopher

2000. Saturated oxygen heterocycles. Journal of the Chemical Society, Perkin Transactions 1 2000 (9) , pp. 1291-1318. 10.1039/a903885j

Errington, John, Wingad, Richard, Clegg, William and Elsegood, Mark 2000. Direct bromination of keggin fragments to give [PW9O28Br6]3−: a polyoxotungstate with a hexabrominated face. Angewandte Chemie International Edition 39 (21) , pp. 3884-3886. 10.1002/1521-3773(20001103)39:21<3884::AID-ANIE3884>3.0.CO;2-M

Fallis, Ian Andrew

, Farley, Richard D., Malik, K. M. Abdul, Murphy, Damien Martin

and Smith, Hayley J. 2000. Divalent first-row transition metal complexes of the rigid pendant-arm ligand 1,4,7-tris(2-aminophenyl)-1,4,7-triazacyclononane. Journal of the Chemical Society, Dalton Transactions 20 , pp. 3632-3639. 10.1039/b005402j

Fanizzi, F.P., Alicino, V., Cardellicchio, C., Tortorella, P. and Rourke, J.P.

2000. Trans-Dichloro(stilbazole)(methyl n-alkyl sulfoxide)platinum(II) complexes: the first examples of metallomesogens containing chiral centres directly bonded to the metal. Chemical Communications (8) , pp. 673-674. 10.1039/b000594k

Gallori, Enzo, Vettori, Cristina, Alessio, Enzo, Vilchez, Francisco Gonzalez, Vilaplana, Rosario, Orioli, Pierluigi, Casini, Angela

and Messori, Luigi 2000. DNA as a possible target for antitumor ruthenium(111) complexes - A spectroscopic and molecular biology study of the interactions of two representative antineoplastic ruthenium(111) complexes with DNA. Archives of biochemistry and biophysics 376 (1) , pp. 156-162. 10.1006/abbi.1999.1654

Giamello, Elio, Paganini, Maria Cristina, Chiesa, Mario, Murphy, Damien Martin

, Pacchioni, Gianfranco, Soave, Raffaella and Rockenbauer, Antal 2000. N-2(-) radical anion reversibly formed at the surface of "electron-rich" alkaline-earth oxides. Journal of Physical Chemistry B 104 (9) , pp. 1887-1890. 10.1021/jp994126y

Heuer, Bjorn, Pope, Simon J. A.

and Reid, Gillian 2000. Synthesis, spectroscopic and structural characterisation of copper, silver and gold complexes of the mixed P/O-donor ligand Ph2P(CH2)2O(CH2)2O(CH2)2PPh2. Polyhedron 19 (7) , pp. 743-749. 10.1016/S0277-5387(00)00291-6

Loiseleur, Olivier, Elliott, Mark Christopher

, Von Matt, Peter and Pfaltz, Andreas 2000. Pd-Catalyzed allylic substitution with enantiomerically pure catalysts and chiral non-racemic substrates: A new approach to catalyst-based regiocontrol, preliminary communication. Helvetica Chimica Acta 83 (9) , pp. 2287-2294. 10.1002/1522-2675(20000906)83:9<2287::AID-HLCA2287>3.0.CO;2-J

Messori, L, Casini, Angela

, Vullo, D, Haroutiunian, S.G, Dalian, E.B and Orioli, P 2000. Effects of two representative antitumor ruthenium(III) complexes on thermal denaturation profiles of DNA. Inorganica Chimica Acta 303 (2) , pp. 283-286. 10.1016/S0020-1693(99)00528-9

Palacios-Alcolado, Maria-Luisa and Taylor, Stuart H.

2000. Characterization of uranium oxides using in situ micro-raman spectroscopy. Applied Spectroscopy 54 (9) , pp. 1372-1378. 10.1366/0003702001951057

Piaggio, Paola, McMorn, Paul, Murphy, Damien

, Bethell, D., Page, P. C. B., Hancock, F. E., Sly, C., Kerton, Owain J. and Hutchings, Graham John

2000. Enantioselective epoxidation of (Z)-stilbene using a chiral Mn(III)-salen complex: effect of immobilisation on MCM-41 on product selectivity. Journal of the Chemical Society - Perkins Transactions 2 2000 (10) , pp. 2008-2015. 10.1039/B005752P

Platts, James Alexis

2000. Theoretical prediction of hydrogen bond basicity. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 2 (14) , pp. 3115-3120. 10.1039/B003026K

Platts, James Alexis

2000. Theoretical prediction of hydrogen bond donor capacity. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 2 (5) , pp. 973-980. 10.1039/A908853I

Platts, James Alexis

and Coogan, Michael Peter 2000. Rotational barriers in tetraformylhydrazine. Journal of the Chemical Society - Perkins Transactions 2 5 , pp. 1075-1079. 10.1039/A910230M

Saccomando, D.J., Black, C., Cave, G.W.V., Lydon, D.P. and Rourke, J.P.

2000. Chiral cyclopalladated liquid crystals from amino acids. Journal of Organometallic Chemistry 601 (2) , pp. 305-310. 10.1016/S0022-328X(00)00087-5

Smith, Keith, Li, Zhaoqiang, Yang, Jing-Jing, Weeks, Ian

and Woodhead, J. Stuart 2000. Synthesis and properties of novel chemiluminescent biological probes: substituted 4-(2-succinimidyloxycarbonylethyl)phenyl 10-methylacridinium-9-carboxylate trifluoromethanesulphonate. Journal of Photochemistry and Photobiology A: Chemistry 132 (3) , pp. 181-191. 10.1016/S1010-6030(00)00209-4

Smith, Keith, Almeer, Saeed and Black, Steven J. 2000. para-Selective nitration of halogenobenzenes using a nitrogen dioxide-oxygen-zeolite system. Chemical Communications (17) , pp. 1571-1572. 10.1039/b003731l

Smith, Keith, El-Hiti, Gamal A., Hammond, Mark E. W., Bahzad, Dawoud, Li, Zhaoqiang and Siquet, Christophe 2000. Highly efficient and selective electrophilic and free radical catalytic bromination reactions of simple aromatic compounds in the presence of reusable zeolites. Perkin 1 (16) , pp. 2745-2752. 10.1039/B002157L

Smith, Keith and Hou, Duanjie 2000. New Syntheses of Two Different Types of Polystyrenesulfonic Acids. Sulfur Letters 23 , pp. 193-207.

Smith, Keith and Roberts, Simon D. 2000. Regioselective dialkylation of naphthalene. Catalysis Today 60 (3-4) , pp. 227-233. 10.1016/S0920-5861(00)00339-4

Smith, Keith, Almeer, Saeed and Black, Steven J. 2000. para-Selective nitration of halogenobenzenes using a nitrogen dioxide–oxygen–zeolite system. Chemical Communications- Royal Society of Chemistry 17 , pp. 1571-1572. 10.1039/B003731L

Smith, Keith, Gibbins, Tracy, Millar, Ross W. and Claridge, Robert P. 2000. A novel method for the nitration of deactivated aromatic compounds. Perkin 1 1 (16) , pp. 2753-2758. 10.1039/b002158j

Spichty, Martin, Fragale, Gianfranco and Wirth, Thomas

2000. Theoretical investigations on the stereoselective selenenylation reaction of alkenes. Journal of the American Chemical Society 122 (44) , pp. 10914-10916. 10.1021/ja001602l

Taylor, Stuart H.

, Heneghan, Catherine S., Hutchings, Graham John

and Hudson, Ian D. 2000. Activity and mechanism of uranium oxide catalysts for the oxidative destruction of volatile organic compounds. Catalysis Today 59 (3) , pp. 249-259. 10.1016/S0920-5861(00)00291-1

Taylor, Stuart H.

, Mirzaei, A. A., Kiely, Christopher John

and Whittle, D. 2000. Structure and activity relationships for copper manganese and copper zinc oxide catalysts for ambient temperature carbon monoxide oxidation [Abstract]. Abstracts of papers of the American Chemical Society 219 , U534-U534.

Taylor, Stuart H.

and O'Leary, S. R. 2000. A study of uranium oxide based catalysts for the oxidative destruction of short chain alkanes. Applied Catalysis B: Environmental 25 (2-3) , pp. 137-149. 10.1016/S0926-3373(99)00128-9

Wirth, Thomas

2000. Organoselenium chemistry in stereoselective reactions. Angewandte Chemie - International Edition 39 (21) , pp. 3740-3749. 10.1002/1521-3773(20001103)39:21<3740::AID-ANIE3740>3.0.CO;2-N

1999

Abdel-Megeed, Mohamed F., El-Hiti, Gamal A., Ibrahim, H. A. and Issa, Rafat M. 1999. Mass spectral fragmentation patterns of benzilic and mandelic acid hydrazides and their arylidene derivatives. Delta Journal of Science 23 (1) , pp. 104-116.

Abdel-Megeed, Mohamed F., El-Hiti, Gamal A., Saleh, Mohamed A., Abdo, Mohamed A. and Awadalla, Sahar E. 1999. A convenient synthesis of novel hydrazones and osazones of 2-hydrazino-3-phenyl-4(3H)-quinazolinone. Revue Roumaine de Chimie 44 (1) , pp. 67-76.

Abdel-Megeed, Mohamed F., El-Hiti, Gamal A. and Teniou, Abdel-Rahman 1999. The Action of Methylmagnesioum Iodide on 6-Bromo-2-Phenyl-4H-3,l-Benzoxazinone and its 4(3H)-Quinazolinones. Delta Journal of Science 23 (1) , pp. 131-137.

Abdo, Mohamed A., Zeid, Ibrahim F., El-Hiti, Gamal A. and Mahmoud, Olfat 1999. Some reactions of 2-phenyl-4(3H)-quinazolinones. Indian Journal of Chemistry Section B 38B (7) , pp. 850-853. 10.1002/chin.200003152

Allemann, Rudolf Konrad

1999. DNA-protein binding specificity. Creighton, Thomas E., ed. Encyclopedia of Molecular Biology, Vol. 2. New York: Wiley, pp. 743-745.

Allemann, Rudolf Konrad

1999. DNA-protein interaction thermodynamics. Creighton, Thomas E., ed. Encyclopedia of Molecular Biology, Vol. 2. New York: Wiley, pp. 745-755.

Allemann, Rudolf Konrad

1999. MADS-Box proteins. Creighton, Thomas E., ed. Encyclopedia of Molecular Biology, Vol. 3. New York: Wiley, pp. 1430-1431.

Allemann, Rudolf Konrad

1999. Transcription factors. Creighton, Thomas E., ed. Encyclopedia of Molecular Biology, Vol. 4. New York: Wiley, pp. 2586-2593.

Brown, A. S. C., Hargreaves, Justin S. J. and Taylor, Stuart H.

1999. A study of "superacidic" MoO3/ZrO2 catalysts for methane oxidation. Catalysis Letters 57 (3) , pp. 109-113. 10.1023/A:1019047632335

Campbell, Tom, Gibson, Alexander M., Hart, Richard, Orchard, Simon D., Pope, Simon J. A.

and Reid, Gillian 1999. Synthesis, spectroscopic and structural characterisation of chromium(0), molybdenum(0) and tungsten(0) complexes involving primary and secondary phosphines. Journal of Organometallic Chemistry 592 (2) , pp. 296-305. 10.1016/S0022-328X(99)00570-7

Cave, G.W.V., Alcock, N.W. and Rourke, J.P.

1999. High-yield synthesis of a C boolean AND N boolean AND C tridentate platinum complex. Organometallics 18 (9) , pp. 1801-1803. 10.1021/om981006o

Cave, G.W.V., Errington, W. and Rourke, J.P.

1999. Trans-diiodobis(triphenylphosphine)-palladium(II). Acta Crystallographica Section C: Structural Chemistry 55 (3) , pp. 320-322. 10.1107/S0108270198015868

Cave, G.W.V., Errington, W. and Rourke, J.P.

1999. (6-chloropyridin-2-yl)iodobis(triphenylphosphine)palladium(II). Acta Crystallographica, Section C, Crystal Structure Communications 55 , pp. 1461-1463. 10.1107/S0108270199007866

Connolly, Julie, Forder, Robin J., Goodban, Geoffrey W., Pope, Simon J. A.

, Predel, Martin and Reid, Gillian 1999. Co(III) and Cr(III) complexes of diphosphadithia ligands and the crystal structure of [CoCl2(L3)]PF6·CH2Cl2 (L3=Ph2P(CH2)2S(o-C6H4)S(CH2)2PPh2). Polyhedron 18 (26) , pp. 3553-3558. 10.1016/S0277-5387(99)00285-5

Connolly, Julie, Genge, Anthony R. J., Levason, William, Orchard, Simon D., Pope, Simon J. A.

and Reid, Gillian 1999. Cationic manganese(I) tricarbonyl complexes with group 15 and 16 donor ligands: synthesis, multinuclear NMR spectroscopy and crystal structures. Journal of the Chemical Society. Dalton Transactions 1999 (14) , pp. 2343-2352. 10.1039/a902820j

Dervisi, Athanasia

, Edwards, Peter Gerald

, Tooze, Robert P., Coles, Simon J. and Hursthouse, Michael B. 1999. Comments on the catalytic alkoxycarbonylation of alkynes. Journal of the Chemical Society. Dalton Transactions 1999 (7) , pp. 1113-1120. 10.1039/a809624d

Dezan, C., Meierhans, D., Künne, A. G. E. and Allemann, Rudolf Konrad

1999. Acquisition of myogenic specificity through replacement of one amino acid of MASH-1 and introduction of an additional α-helical turn. Biological Chemistry 380 (6) , pp. 705-710. 10.1515/BC.1999.088

El-Hiti, Gamal A. 1999. Proton nuclear magnetic resonance spectroscopy: significant barriers to rotation about N-N bonds in 3-acylaminoquinazolin-4(3H)-one derivatives. Spectroscopy Letters 32 (4) , pp. 671-677. 10.1080/00387019909350016

El-Hiti, Gamal A., Mahgoub, Safa, Abdel-Megeed, Mohamed F. and Mahmoud, Yehia A.-G. 1999. Synthesis and Biological Activities of Novel (3-Methylquinoxalin-2-YL)Hydrazones and Osazones of Aldoses. Delta Journal of Science 23 (1) , pp. 117-130.

Elliott, Mark Christopher

and Kruiswijk, Elbertus 1999. Asymmetric hetero-Diels-Alder reactions of alkenyldihydrooxazoles. Synthesis of oxazolo[3,2-c]pyrimidines and related compounds. Journal of the Chemical Society, Perkin Transactions 1 1999 (21) , pp. 3157-3166. 10.1039/a905700e

Elliott, Mark Christopher

, Monk, Alexandra E., Kruiswijk, Elbertus, Hibbs, David E., Jenkins, Robert Leyshon and Jones, David V. 1999. Asymmetric Hetero-Diels-Alder Reactions with Heterocumulenes. Synlett 1999 (9) , pp. 1379-1382. 10.1055/s-1999-2853

Heneghan, Catherine S., Hutchings, Graham John

, O'Leary, Shane R., Taylor, Stuart H.

, Boyd, Vicki J. and Hudson, Ian D. 1999. A temporal analysis of products study of the mechanism of VOC catalytic oxidation using uranium oxide catalysts. Catalysis Today 54 (1) , pp. 3-12. 10.1016/S0920-5861(99)00162-5

Hutchings, Graham John

1999. Designing oxidation catalysts. Catalysis Today 49 (1-3) , pp. 105-113.

Hutchings, Graham John

and Hudson, Ian D. 1999. Designing heterogeneous oxidation catalysts. Studies in Surface Science and Catalysis 121 , pp. 85-92. 10.1016/S0167-2991(99)80049-4

Jenkins, Charles A. and Murphy, Damien Martin

1999. Thermal and photoreactivity of TiO2 at the gas-solid interface with aliphatic and aromatic aldehydes. Journal of Physical Chemistry B 103 (6) , pp. 1019-1026. 10.1021/jp982690n

Pope, Simon J. A.

and Reid, Gillian 1999. Phosphine, arsine and stibine complexes of manganese(I) carbonyl halides: synthesis, multinuclear NMR spectroscopic studies, redox properties and crystal structures. Journal of the Chemical Society. Dalton Transactions 1999 (10) , pp. 1615-1622. 10.1039/a900875f

Rourke, J.P.

1999. Platinum carbenes and carbonyls. Abstracts of Papers of the American Chemical Society 218 , U719-U719.

Smith, Keith, Butters, Michael, Paget, Walter E., Goubet, Dominique, Fromentin, Emmanuelle and Nay, Barry 1999. Selective mono-chlorination of aromatic compounds under mild conditions by tert-butyl hypochlorite in the presence of zeolites. Green Chemistry 1 (2) , pp. 83-90. 10.1039/A901395D

Smith, Keith, El-Hiti, Gamal A., Abdel-Megeed, Mohamed F. and Abdo, Mohamed A. 1999. Convenient synthesis of more complex 2-substituted 4(3H)-quinazolinones via lithiation of 2-alkyl-4(3H)-quinazolinones. Collection of Czechoslovak chemical communications 64 (3) , pp. 515-526. 10.1135/cccc19990515

Smith, Keith, El-Hiti, Gamal A. and Hawes, Anthony C. 1999. A novel procedure for the formation of isatins via carbonylation of lithiated N'-aryl-N,N-dimethylureas. Synlett (Supp.1) , pp. 945-947. 10.1055/s-1999-3085

Smith, Keith, El-Hiti, Gamal A., Hou, Duanjie and DeBoos, Gareth A. 1999. Preparation and use of sterically hindered organobis(2,4,6-triisopropylphenyl)hydroborates and their polystyrene derivatives for the diastereoselective reduction of ketones. Journal of the Chemical Society, Perkin Transactions 1 (19) , pp. 2807-2812. 10.1039/A904260A

Smith, Keith, El-Hiti, Gamal A., Pritchard, Gareth J. and Hamilton, Anna 1999. Carbonylation of various organolithium reagents. A novel approach to heterocycles via intramolecular trapping of aromatic acyllithiums. Journal of the Chemical Society, Perkin Transactions 1 (16) , pp. 2299-2303. 10.1039/A903467F

Smith, Keith, El-Hiti, Gamal A. and Shukla, Amba P. 1999. Variation in site of lithiation with ring substituent of N′-aryl-N,N-dimethylureas: application in synthesis. Journal of the Chemical Society, Perkin Transactions 1 (16) , pp. 2305-2313. 10.1039/A903464A

Smith, Keith, El-Hiti, Gamal A., Takahashi, T. and Hou, D. J. 1999. Selective polymeric organoborohydride agents: Synthesis and applications. Abstracts of Papers of the American Chemical Society 218 , U729-U730.

Smith, Keith, He, Ping and Taylor, Ashley 1999. Selective para-bromination of phenyl acetate under the control of zeolites, bases, acetic anhydride or metal acetates in the liquid phase. Green Chemistry 1 (1) , pp. 35-38. 10.1039/A808242A

Smith, Keith, Pollaud, Guy M. and Matthews, Ian 1999. Selective production of 1-arylalkenes : Synthesis of 1-aryl-2-alkenes and 1-arylalkanes via Friedel-Crafts alkylation of aromatic substrates with allylic alcohols over solid acid catalysts. Green Chemistry 1 (2) , pp. 75-81. 10.1039/A901394F

Smith, Keith, Tzimas, Michael, Brown, Christopher M. and Payne, Keith 1999. Dialkyl sulfides as selective catalysts for the chlorination of phenols. Sulfur Letters 22 , pp. 89-101.

Smith, Keith, Tzimas, Michael, Brown, Christopher M. and Payne, Keith 1999. Dithia-alkanes and modified Merrifield resins as selective catalysts for the chlorination of phenols. Sulfur Letters 22 , pp. 103-123.

Taylor, Stuart H.

and Mirzaei, Ali A. 1999. Copper zinc oxide catalysts for ambient temperature carbon monoxide oxidation. Chemical Communications (15) , pp. 1373-1374. 10.1039/A903426I

1998

Andersen, Jo-Ann M., Karodia, Nazira, Miller, David James, Stones, Duane and Gani, David 1998. Preparation and catalytic properties of resin bound binuclear rhodium tetracarboxylate complexes. Tetrahedron Letters 39 (42) , pp. 7815-7818. 10.1016/S0040-4039(98)01709-2

Cave, Gareth W. V., Hallett, Andrew Jon, Errington, William and Rourke, Jonathan P. 1998. Inter- versus intramolecular C-H activation: Synthesis and characterization of a novel platinum-carbene complex. Angewandte Chemie -International Edition 37 (23) , pp. 3270-3272. 10.1002/(SICI)1521-3773(19981217)37:23<3270::AID-ANIE3270>3.0.CO;2-2

Cave, G.W.V., Hallett, A.J., Errington, W. and Rourke, J.P.

1998. Inter- versus intramolecular C-H activation: Synthesis and characterization of a novel platinum-carbene complex. Angewandte Chemie-International Edition 37 (23) , pp. 3270-3272. 10.1002/(SICI)1521-3773(19981217)37:23<3270::AID-ANIE3270>3.0.CO;2-2

Cave, G.W.V., Lydon, D.P. and Rourke, J.P.

1998. Cyclopalladated Schiff's base liquid crystals: the effect of the acac group on the thermal behaviour. Journal of Organometallic Chemistry 555 (1) , pp. 81-88. 10.1016/S0022-328X(97)00751-1

Connolly, Julie, Genge, Anthony R. J., Pope, Simon J. A.

and Reid, Gillian 1998. Pd(II) and Pt(II) complexes with chalcogenide derivatized phosphathia ligands. Polyhedron 17 (13-14) , pp. 2331-2336. 10.1016/S0277-5387(97)00508-1

Davies, Sian C., Durrant, Marcus C., Hughes, David L., Le Floc?h, Christine, Pope, Simon J. A.

, Reid, Gillian, Richards, Raymond L. and Sanders, J. Roger 1998. Synthesis, spectroscopic and EXAFS studies of vanadium complexes of trithioether ligands and crystal structures of [VCl3([9]aneS3)] and [VI2(thf )([9]aneS3)] ([9]aneS3 = 1,4,7-trithiacyclononane). Journal of the Chemical Society. Dalton Transactions 1998 (13) , pp. 2191-2198. 10.1039/a802404i

EL-Shora, Abdel-Fatah I. and El-Hiti, Gamal A. 1998. Crystal and Molecular Structure of 2-Hydrazino-3-methylquinoxaline. Egyptian Journal of Solids 20 (1) , pp. 111-117.

El-Shora, Abdel-Fatah I. and El-Hiti, Gamal A. 1998. Crystal and Molecular Structure of 3-Amino-2-(4-methylphenylamino)quinazolin-4(3H)-one. Egyptian Journal of Solids 21 (1) , pp. 163-170.

Elliott, Mark Christopher

1998. Saturated oxygen heterocycles. Journal of the Chemical Society, Perkin Transactions 1 1998 (24) , pp. 4175-4200. 10.1039/a805170d

Elliott, Mark Christopher

, Hibbs, David E., Hughes, D. S., Hursthouse, M. B., Kruiswijk, Elbertus and Malik, Khalifa M. Abdul 1998. Asymmetric hetero-Diels-Alder reactions: X-ray structures of three novel chiral dihydropyrimidines. Journal of Chemical Crystallography 28 (9) , pp. 663-671. 10.1023/A:1021791832534

Elliott, Mark Christopher

, Kruiswijk, Elbertus and Willock, David James

1998. Asymmetric hetero-Diels-Alder reactions. Mechanism of the reaction of alkenyloxazolines with isocyanates. Tetrahedron Letters 39 (48) , pp. 8911-8914. 10.1016/S0040-4039(98)01949-2

Hutchings, Graham John

, Mirzaei, Ali A., Joyner, R. W., Siddiqui, M. R. H. and Taylor, Stuart H.

1998. Effect of preparation conditions on the catalytic performance of copper manganese oxide catalysts for CO oxidation. Applied Catalysis A: General 166 (1) , pp. 143-152. 10.1016/S0926-860X(97)00248-2

Künne, Andreas G. E., Sieber, Martin, Meierhans, Daniel and Allemann, Rudolf Konrad

1998. Thermodynamics of the DNA binding reaction of transcription factor MASH-1. Biochemistry 37 (12) , pp. 4217-4223. 10.1021/bi9725374

Meierhans, D. and Allemann, Rudolf Konrad

1998. The N-terminal methionine is a major determinant of the DNA binding specificity of MEF-2C. Journal of Biological Chemistry 273 (40) , pp. 26052-26060. 10.1074/jbc.273.40.26052

Miller, David James, Hammond, Stephen M., Anderluzzi, Daniela and Bugg, Timothy D. H. 1998. Aminoalkylphosphinate inhibitors of D-Ala-D-Ala adding enzyme. Journal of the Chemical Society, Perkin Transactions 1 (1) , pp. 131-132. 10.1039/a704097k

Ineos Acrylics UK Ltd. 1998. Process for the preparation of bisphosphines. GB/9805348. [Patent].

Patel, Bhavesh, Pope, Simon J. A.

and Reid, Gillian 1998. Rhodium complexes with secondary phosphine and phosphinite ligands and the crystal structures of [(PPh2OH)2(PPh2O)Rh(μ-Cl)3Rh(PPh2OH)(PPh2O)2] and [(PPh2OH)(PPh2O)Cl(NCMe)Rh(μ-Cl)2Rh(PPh2OH)(PPh2O)Cl(NCMe)] · 2thf. Polyhedron 17 (13-14) , pp. 2345-2351. 10.1016/S0277-5387(97)00460-9

Rourke, J.P.

and Lydon, D.P. 1998. Homo- and hetero-bimetallic liquid crystals. Abstracts of Papers of the American Chemical Society 215 , U836-U836.

Sieber, M. and Allemann, Rudolf Konrad

1998. Arginine (348) is a major determinant of the DNA binding specificity of transcription factor E12. Biological Chemistry 379 (6) , pp. 731-735.

Sieber, M. and Allemann, Rudolf Konrad

1998. Single chain dimers of MASH-1 bind DNA with enhanced affinity. Nucleic Acids Research 26 (6) , pp. 1408-1413. 10.1093/nar/26.6.1408

Smith, Keith, El-Hiti, Gamal A, and Hamilton, Anna 1998. Unexpected formation of substituted anilides via reactions of trifluoroacetanilides with lithium reagents. Journal of the Chemical Society, Perkin Transactions 1 (24) , pp. 4041-4042. 10.1039/A808004F

Smith, Keith, Musson, Adam and DeBoos, Gareth A. 1998. A novel method for the nitration of simple aromatic compounds. Journal of Organic Chemistry 63 (23) , pp. 8448-8454. 10.1021/jo981557o

Smith, Keith, Zhenhua, Zhao and Hodgson, Philip K. G. 1998. Synthesis of aromatic ketones by acylation of aryl ethers with carboxylic anhydrides in the presence of zeolite H-β (H-BEA) in the absence of solvent. Journal of Molecular Catalysis. A: Chemical 134 (1-3) , pp. 121-128. 10.1016/S1381-1169(98)00028-4

Stones, Duane, Miller, David James, Beaton, Martin W., Rutherford, Trevor J. and Gani, David 1998. A method for the quantification of resin loading using 19F gel phase NMR spectroscopy and a new method for benzyl ether linker cleavage in solid phase chemistry. Tetrahedron Letters 39 (27) , pp. 4875-4878. 10.1016/S0040-4039(98)00883-1

Taylor, Stuart H.

, Hargreaves, Justin S. J., Hutchings, Graham John

, Joyner, Richard W. and Lembacher, Chris W. 1998. The partial oxidation of methane to methanol: an approach to catalyst design. Catalysis Today 42 (3) , pp. 217-224. 10.1016/S0920-5861(98)00095-9

1997

Allemann, Rudolf Konrad

and Egli, M. 1997. DNA recognition and bending. Chemistry & Biology 4 (9) , pp. 643-650. 10.1016/S1074-5521(97)90218-0

El-Hiti, Gamal A. 1997. A convenient synthesis of 1,2-dihydro-1,2,4-triazolo[3,2-b]quinazolin-9(1H)-ones and their 1,2,4-triazolo derivatives. Bulletin of the Chemical Society of Japan 70 (9) , pp. 2209-2213. 10.1246/bcsj.70.2209

El-Segaii, Azza A., El-Hiti, Gamal A., El Assal, Ahmed M. and Sayyah, S. M. 1997. Two organometallic compounds for improving the properties of acrylic resin. Cairo Dental Journal 13 , pp. 43-49.

Elliott, Mark Christopher

1997. Saturated oxygen heterocycles. Contemporary Organic Synthesis 4 (3) , pp. 238-259. 10.1039/co9970400238

Elliott, Mark Christopher

and Kruiswijk, Elbertus 1997. Highly diastereoselective hetero-Diels-Alder reactions of alkenyldihydrooxazoles as an approach to novel pyrimidine derivatives. Chemical Communications 1997 (23) , pp. 2311-2312. 10.1039/a705571d

Hudson, Ian D., Henneghan, Catherine S., Hutchings, Graham John