Browse by Schools (complete)

2025

Abbas, Haneen Fadhil, Saleh, Basil A., Al-Doghachi, Faris A. J., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. 2025. Crystal structure of bis ((1-((E)-((4-methoxyphenyl)imino)methyl)naphthalen-2-yl)oxy) copper(II), C36H28CuN2O4. Zeitschrift für Kristallographie - New Crystal Structures 10.1515/ncrs-2024-0449

Abdullah, N., Nurazzi, N.M., Silverwood, I.P., Matam, S.K., Demon, S.Z.N., Sa'aya, N.S.N., Halim, N.A. and Baharin, K.W. 2025. Structural and morphological studies of non-covalent functionalization carbon nanotubes wrapped poly(3-hexylthiophene-2,5-diyl) nanocomposites. Next Nanotechnology 7 , 100111. 10.1016/j.nxnano.2024.100111

Aboshouk, Dalia R., Youssef, M. Adel, Panda, Siva S., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Bekheit, Mohamed S., Hamed, Ahmed R., Fayad, Walid, Soliman, Ahmed A. F. and Girgis, Adel S. 2025. Design and synthesis of antiproliferative 2-oxoindolin-3-ylidenes incorporating urea function with potential VEGFR-2 inhibitory properties. Scientific Reports 15 (1) , 618. 10.1038/s41598-024-82005-6

Abylgazina, Leila, Senkovska, Irena, Maliuta, Mariia, Bachetzky, Christopher, Rauche, Marcus, Pöschel, Kathrin, Schmidt, Johannes, Isaacs, Mark, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Otyepka, Michal, Otyepkova, Eva, Mendt, Matthias, More, Yogeshwar D, Buschbeck, Robin, Schneemann, Andreas, Synytska, Alla, Pöppl, Andreas, Eng, Lukas M, Tan, Jin-Chong, Brunner, Eike and Kaskel, Stefan 2025. The role of surface deformation on responsivity of the pillared layer metal-organic framework DUT-8(Ni). Chemical Science 10.1039/d4sc08223k

Aggett, Kieran, García, Tomás, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Peláez-Fernández, Mario, Mayoral, Álvaro, Arenal, Raul, Solsona, Benjamín, Amorós, Pedro and Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874 2025. The simultaneous total oxidation of toluene, propene and CO environmental pollutants using bimetallic AU‐PT/ZrO2/UVM‐7 catalysts. ChemCatChem 10.1002/cctc.202401462

Ahmed, Y., Ward, B. D. ORCID: https://orcid.org/0000-0003-1406-5940, Steer, J. ORCID: https://orcid.org/0000-0002-3003-4768 and Zabek, D. ORCID: https://orcid.org/0000-0001-5856-5301 2025. In situ polymerization of barium hexaferrite ferrofluids for poly(ethylene) succinate magnetic nanoparticle composites. Journal of Applied Polymer Science , e56984. 10.1002/app.56984

Al Zoubi, Wail, Alnaasan, Manar, Assfour, Bassem, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Hussain, Iftikhar, Kim, Sungho and Ko, Young Gun 2025. Totally defined nanocatalysis: Detection of polyelement nanoparticles by deep learning. InfoMat , e70009. 10.1002/inf2.70009

Al Zoubi, Wail, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Assfour, Bassem, Allaf, Abdul Wahab, Kang, Jee‐Hyun and Ko, Young Gun 2025. Continuous synthesis of metal oxide‐supported high‐entropy alloy nanoparticles with remarkable durability and catalytic activity in the hydrogen reduction reaction. InfoMat 7 (2) , e12617. 10.1002/inf2.12617

Aldred, Matthew P., Davies, Thomas E., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Graham, Andrew E. 2025. Studies on the reactions of lactone intermediates derived from levulinic acid: telescoped routes to higher levulinate ester biofuels. ACS Omega 10.1021/acsomega.4c08315

Alghamdi, Taha 2025. New catalysts for advanced biofuels synthesis and cooperative catalysis. PhD Thesis, Cardiff University. Item availability restricted.

Alkhaibari, Ibrahim, Horton, Peter, Coles, Simon, Buurma, Niklaas and Pope, Simon J. ORCID: https://orcid.org/0000-0001-9110-9711 2025. DNA‐binding properties of non‐intercalating water‐soluble organometallic Ir(III) luminophores. Chemistry - A European Journal , e202500290. 10.1002/chem.202500290

Allison, Thomas, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Durance, Isabelle ORCID: https://orcid.org/0000-0002-4138-3349 and Harbottle, Michael ORCID: https://orcid.org/0000-0002-6443-5340 2025. Predicting flushed wet wipe emissions into rivers. Water Research 268 (Part B) , 122733. 10.1016/j.watres.2024.122733

Alotaibi, Nusaybah, Babaahmadi, Rasool, Das, Sampurna, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, Pramanik, Milan and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-7126-5220, 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 ORCID: https://orcid.org/0000-0002-3410-791X and Ward, Simon ORCID: https://orcid.org/0000-0002-8745-8377 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 ORCID: https://orcid.org/0000-0002-6571-5731 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.

Bhattacherjee, Dhananjay, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Piscelli, Bruno A., Cormanich, Rodrigo A. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-0375-0881 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 ORCID: https://orcid.org/0000-0001-5469-814X and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 2025. Machine learning force field for optimization of isolated and supported transition metal particles. Journal of Chemical Theory and Computation 10.1021/acs.jctc.4c01606

Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 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. ORCID: https://orcid.org/0000-0003-4394-766X, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-5470-0278 2025. An argument for abandoning the "allowed" and "forbidden" classification of electrocyclic reactions. Chemical Science 10.1039/d4sc08748h

Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0003-1406-5940 and Cable, J. ORCID: https://orcid.org/0000-0002-8510-7055 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. ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0001-6691-2377 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0003-0132-0818, Hughes, Colan E., Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0003-4640-541X 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0002-4119-0686, 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 ORCID: https://orcid.org/0000-0003-0253-1625 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. ORCID: https://orcid.org/0000-0002-8658-3897, Almetahr, Abrar, Saint-Mart, Jessica, Williams, Andrew, Samperisi, Laura and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0003-4394-766X, 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

Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560, Williams, Jake, Kitching, Ella, Patel, Rhea-Shree, Mauss, Jonathan, Kley, Klara, Khobragade, Rohini, de Bellis, Jacopo, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Schueth, Ferdi, Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874, Dummer, Nicholas ORCID: https://orcid.org/0000-0002-0946-6304 and Bender, Michael 2025. The influence of reaction conditions on selective acetylene hydrogenation over sol immobilisation prepared AgPd/Al2O3 catalysts. ChemCatChem 10.1002/cctc.202401794

Ibarra-Barreno, Carolina M., Chowdhury, Sanchari, Crosta, Martina, Zehra, Tashfeen, Fasano, Francesco, Kundu, Paromita, Verstraelen, Jenthe, Bals, Sara, Subrati, Mohammed, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121, 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. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-6571-5731 2025. XPS insight note: Multiplet splitting in X‐Ray photoelectron spectra. Surface and Interface Analysis 10.1002/sia.7383

Johnson, Luke Alan ORCID: https://orcid.org/0000-0002-6697-6589 and Allemann, Rudolf Konrad ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0001-7855-8598, 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

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. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Kordus, David, Dugulan, A. Iulian, Roldan Cuenya, Beatriz and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-6691-2377 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0003-0372-1551 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 ORCID: https://orcid.org/0000-0003-0372-1551, Guillard, Chantal, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0003-4394-766X and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0003-1141-3487, Hind, Jasmine, Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182 and Tredwell, Matthew ORCID: https://orcid.org/0000-0002-4184-5611 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0001-7348-7612, Liborio, Leandro, Austin, Patrick, Devadasan, Subindev, Underwood, Tom, Belozerov, Alexander, Wilding, Martin, Ramanan, Nitya and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-0372-1551, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Oakley, Alice Elizabeth, Vandegehuchte, Bart, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-0946-6304, Zhang, Bin, Ren, Yujing, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Qin, Yong, Junge, Kathrin, Jiao, Haijun, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-4640-541X 2025. High surface area perovskite materials as functional catalyst supports for glycerol oxidation. Molecular Catalysis 572 , 114750. 10.1016/j.mcat.2024.114750

Rani, Sadia, Sbei, Najoua, Rahali, Seyfeddine, Aslam, Samina, Hardwick, Tomas and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0003-2200-9578, Ali, Rojan, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831, Roy, Debdulal and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8893-1090, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 and Freakley, Simon 2025. Hydrogen radical detection in mild catalytic reactions: Background C‐H activation in solvents. ChemCatChem 10.1002/cctc.202401969

Shaddick, Gavin ORCID: https://orcid.org/0000-0002-4117-4264, Topping, David, Hales, Tristram C. ORCID: https://orcid.org/0000-0002-3330-3302, Kadri, Usama ORCID: https://orcid.org/0000-0002-5441-1812, Patterson, Joanne ORCID: https://orcid.org/0000-0002-4440-159X, Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595, Petri, Ioan ORCID: https://orcid.org/0000-0002-1625-8247, Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874, Li, Peiyuan, Sharma, Ashish, Venkatkrishnan, Venkat, Wadhwa, Abhinav, Ding, Jennifer, Bowyer, Ruth and Rana, Omer ORCID: https://orcid.org/0000-0003-3597-2646 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0003-4532-9101 and Serpi, Michaela ORCID: https://orcid.org/0000-0002-6162-7910 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. ORCID: https://orcid.org/0000-0002-9073-1186 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-4173-3430, Crosta, Martina, Kählig, Hanspeter, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 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. ORCID: https://orcid.org/0000-0002-5508-8236 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 ORCID: https://orcid.org/0000-0002-6571-5731, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Besley, Elena, Khlobystov, Andrei and Alves Fernandes, Jesum 2025. A descriptor guiding the selection of catalyst supports for ammonia synthesis. Chemical Science 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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

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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Wang, Yong and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0003-4657-6331, 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 ORCID: https://orcid.org/0000-0001-6691-2377, 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 ORCID: https://orcid.org/0000-0003-4078-1000, 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. ORCID: https://orcid.org/0000-0002-8658-3897 and Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869 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. ORCID: https://orcid.org/0000-0003-4657-6331, 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 ORCID: https://orcid.org/0000-0003-4657-6331, 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. ORCID: https://orcid.org/0000-0002-1933-4874, 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0003-0260-5057, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0002-8658-3897, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 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. ORCID: https://orcid.org/0000-0003-4394-766X, Garwell, Gemma, Guan, Shaoliang, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-7601-5482 and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0001-8913-6606 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. ORCID: https://orcid.org/0000-0003-1406-5940 and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-6453-7531 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 ORCID: https://orcid.org/0000-0002-2744-3122, Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595, Mukisa, Ivan M. and Scofield, Simon ORCID: https://orcid.org/0000-0001-5466-314X 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-2277-415X, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0001-8912-1439, Morgan, D.J. ORCID: https://orcid.org/0000-0002-6571-5731, Papageorgiou, A., Williams, O.A. ORCID: https://orcid.org/0000-0002-7210-3004 and Klemencic, G.M. ORCID: https://orcid.org/0000-0002-2125-9754 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0003-0353-9004, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0001-5075-1089 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 ORCID: https://orcid.org/0000-0001-5075-1089, 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Pickett, John ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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. ORCID: https://orcid.org/0000-0001-6190-9080, Walker, Gavin S. and Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0002-8658-3897, Ward, Simon E. ORCID: https://orcid.org/0000-0002-8745-8377, Lloyd-Evans, Emyr ORCID: https://orcid.org/0000-0002-3626-1611, Waller-Evans, Helen ORCID: https://orcid.org/0000-0003-4133-6064 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-4394-766X, Graf, Arthur, Hewes, Dan, Hill, Katja E. ORCID: https://orcid.org/0000-0002-8590-0117 and Pascoe, Michael ORCID: https://orcid.org/0000-0002-7794-8970 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. ORCID: https://orcid.org/0000-0003-0372-1551 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-6927-4371 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-2200-9578, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Didsbury, Matthew, Jones, Christopher D. and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0003-0132-0818 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. ORCID: https://orcid.org/0000-0003-3142-2831, Pulis, Alexander P. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-0375-0881 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0003-4640-541X 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-3714-2742, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Platts, James ORCID: https://orcid.org/0000-0002-1008-6595, Chiesa, Mario and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0002-4184-5611 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. ORCID: https://orcid.org/0000-0002-1808-1211, 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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 ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-8219-6419, Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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 ORCID: https://orcid.org/0000-0002-8990-0667, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1549-9727 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0001-7495-3355, 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

Heßelmann, Andreas, Giner, Emmanuel, Reinhardt, Peter, Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331, 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. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-2277-415X, 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. ORCID: https://orcid.org/0000-0002-2277-415X, 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 ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-8885-1560 2024. Catalysis using gold containing materials. Journal of Catalysis 432 , 115392. 10.1016/j.jcat.2024.115392

Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Catlow, C. Richard ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-6697-6589, Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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 ORCID: https://orcid.org/0000-0001-8913-6606, Fletcher, Philip J., Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-7864-6261 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. ORCID: https://orcid.org/0000-0003-0372-1551, Dearg, Malcolm, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 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. ORCID: https://orcid.org/0000-0002-0946-6304, Fagan, Samantha, Wielgosz, Oskar, Gow, Isla E., Smith, Louise R., Slater, Thomas J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Davies, Thomas E., Aggett, Kieran J., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-3082-2377, Warren, Anna J., Warren, Mark R. and Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0003-4394-766X, 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. ORCID: https://orcid.org/0000-0003-4394-766X, 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0001-6691-2377 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 ORCID: https://orcid.org/0000-0001-6691-2377 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0002-6571-5731, Gow, Isla E. and Edwards, Jennifer ORCID: https://orcid.org/0000-0003-4089-2827 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-6571-5731 2024. Core-level spectra of metallic lanthanides: Lanthanum (La). Surface Science Spectra 31 (1) , 014010. 10.1116/6.0003602

Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0002-7388-6522, Raithby, Paul R., Saunders, Lucy K., Skelton, Jonathan M., Wang, Qingping, Warren, Mark R., Zhang, Yan and Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727 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. ORCID: https://orcid.org/0000-0002-0946-6304, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0002-1808-1211, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595, Alrashidi, Basheer, Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-0372-1551 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 ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-4184-5611 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 ORCID: https://orcid.org/0000-0002-4184-5611 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 ORCID: https://orcid.org/0000-0002-8893-1090, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-1549-9727 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 ORCID: https://orcid.org/0000-0001-7449-2720, Pattisson, Samuel, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Lu, Li, Kiely, Christopher J., Golunski, Stanislaw E. ORCID: https://orcid.org/0000-0001-7980-8624, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-1008-6595, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0003-4532-9101, Serpi, Michaela ORCID: https://orcid.org/0000-0002-6162-7910, 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. ORCID: https://orcid.org/0000-0002-1008-6595, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 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 ORCID: https://orcid.org/0000-0001-6691-2377, 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 ORCID: https://orcid.org/0000-0002-8990-0667, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0003-1406-5940 and Cable, Jo ORCID: https://orcid.org/0000-0002-8510-7055 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 ORCID: https://orcid.org/0000-0001-6691-2377, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Pridmore, Natalie E., Sparkes, Hazel A., Wingad, Richard L. and Wass, Duncan F. ORCID: https://orcid.org/0000-0002-0356-7067 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 ORCID: https://orcid.org/0000-0001-7980-8624, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-6162-7910, di Ciano, Samule and Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Lopez-Martín, Ángeles, Li, Rong-Jian, Morris, Callum R., Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Dugulan, A. Iulian, Chen, Liwei, Liu, Xi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-4078-1000, 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-0372-1551, da Silva Maia, Ary, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-9615-9002, Kolb, Ute, Gazit, Ehud, Kronik, Leeor and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8219-6419, Johns, Sam T., Voice, Angus, Morley, Katharine, Escorcia, Andrés M., Miller, David J., Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0002-8219-6419, Johnson, Luke A. ORCID: https://orcid.org/0000-0002-6697-6589, Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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.

Stere, Cristina E., Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Dlamini, Mbongiseni W., Chansai, Sarayute, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0003-1406-5940, 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 ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0001-7361-0182 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-4404-9397, Slocombe, Daniel R. ORCID: https://orcid.org/0000-0003-3590-6075 and Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-4119-0686, 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. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0002-8510-7055, Durance, Isabelle ORCID: https://orcid.org/0000-0002-4138-3349, Harbottle, Michael ORCID: https://orcid.org/0000-0002-6443-5340 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 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 ORCID: https://orcid.org/0000-0002-4138-3349, Harbottle, Michael J. ORCID: https://orcid.org/0000-0002-6443-5340, Lucas, Robert, Read, Daniel S. and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 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 ORCID: https://orcid.org/0000-0001-8913-6606, Fischer, Marcus, Hartmann, Martin, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0002-0356-7067, Offiler, Caroline A., Whiston, Keith and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0002-9073-1186, Adei, Evans, Amakali, Theopolina, Botchway, Cecil H., Daniel, Likius S., Darkwa, James, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Mbaiwa, Foster, Mensah, Mary, Nyepetsi, Maipelo, Makhubela, Banothile, Mitchell, Claire E., Olaoye, Oluwasegun Emmanuel, Oyetunji, Olayinka A., Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203, Sejie, Fortunate P., Sheehama, Jacobina, Tia, Richard, Uahengo, Veikko, Živković, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 Y., Charrier-Chardin, Matheo, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 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. ORCID: https://orcid.org/0000-0002-8658-3897, Graber, Ellen R., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0003-1406-5940 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. ORCID: https://orcid.org/0000-0003-4640-541X 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. ORCID: https://orcid.org/0000-0003-4394-766X 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-1710-3914, Taily, Irshad M., Hatton, Lewis, Berezin, Andrey A, Wu, Yi‐Lin ORCID: https://orcid.org/0000-0003-0253-1625, Moliner, Vicent, Świderek, Katarzyna, Tsai, Yu‐Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0001-5293-8883, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0002-0946-6304, Lewis, Richard J., Liu, Xingwu, Luan, Sen, Dong, Minghua, Wang, Tianjiao, Xu, Qingling, Zhao, Zhijuan, Liu, Huizhen, Han, Buxing and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0001-8885-1560, Davidson, Matthew, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Mohamed, Hanan A. and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0003-4394-766X, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, 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 ORCID: https://orcid.org/0000-0002-7653-9964, Hribar Boštjančič, Patricija, Lisjak, Darja, Mertelj, Alenka and Zabek, Daniel ORCID: https://orcid.org/0000-0001-5856-5301 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. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Williams, P.Andrew, Xu, Xiaoyan, Gaisford, Simon, Iuga, Dinu and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0003-4078-1000, 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 ORCID: https://orcid.org/0000-0003-0353-9004, Kaehler, Tanja and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 2023. Alkene reactions with superoxide radical anions in flow electrochemistry. Faraday Discussions 247 , pp. 297-301. 10.1039/D3FD00050H

Alkahtani, Rawiyah and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0003-1406-5940, Harbottle, Michael ORCID: https://orcid.org/0000-0002-6443-5340 and Durance, Isabelle ORCID: https://orcid.org/0000-0002-4138-3349 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 ORCID: https://orcid.org/0000-0001-6691-2377, Ariafard, Alireza, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0001-6675-3126, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0003-3165-4472, Owens, Alun, Tarantino, Giulia, Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0003-3165-4472, Stishenko, Pavel Viktorovich and Logsdail, Andrew James ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0001-7495-3355 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0003-0260-5057 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. ORCID: https://orcid.org/0000-0002-6571-5731, Ni, Fenglou, Sharma, Pankaj ORCID: https://orcid.org/0000-0003-2319-260X, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Li, Xu, Deng, Feng, Xu, Jun and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-0589-5088 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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. ORCID: https://orcid.org/0000-0002-5470-0278 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. ORCID: https://orcid.org/0000-0002-0946-6304, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Liu, Xi, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-1341-1541 2023. Crystal structure prediction: achievements and opportunities. IUCrJ 10 (2) , pp. 143-144. 10.1107/S2052252523001835

Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0003-4394-766X, 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. ORCID: https://orcid.org/0000-0001-7855-8598, 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 ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-6414-552X, 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. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-6571-5731, Bethell, Donald, Kiely, Christopher J., McIntosh, Steven and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0003-0372-1551 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 ORCID: https://orcid.org/0000-0002-6414-552X and Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-6414-552X, Dlamini, Mbongiseni, Pattisson, Samuel, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 and Catlow, Charles ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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 ORCID: https://orcid.org/0000-0002-6162-7910 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-0946-6304, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Howard, Mark J., Lewis, Richard J., Qi, Guodong, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Xu, Jun, Bethell, Don, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-3590-6075, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-5508-8236, Horton, Peter, Coles, Simon, Hallett, Andrew, O'Kell, Sean and Pope, Simon J. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0002-6453-7531 2023. Electrochemical generation and utilization of alkoxy radicals. Chemical Communications 59 (25) , pp. 3655-3664. 10.1039/d3cc00302g

Elliott, Mark ORCID: https://orcid.org/0000-0003-0132-0818 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0003-4640-541X, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-6571-5731, Arbab, Adrees, Yang, Jiajie, Jo, Jeong-Wan, Kim, Yoonwoo, Jung, Sung-Min, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, Rao, Akshay, Hou, Bo ORCID: https://orcid.org/0000-0001-9918-8223 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 ORCID: https://orcid.org/0000-0001-7335-1424 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 ORCID: https://orcid.org/0000-0001-9110-9711, Lloyd-Evans, Emyr ORCID: https://orcid.org/0000-0002-3626-1611 and Waller-Evans, Helen ORCID: https://orcid.org/0000-0003-4133-6064 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-3714-2742 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. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0001-6190-9080, Kays, Deborah L. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0003-4394-766X, Hall, Jeremy ORCID: https://orcid.org/0000-0003-2737-9009, Galiotis, Costas and Eaton, Mark J. ORCID: https://orcid.org/0000-0002-7388-6522 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0002-8893-1090 and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 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. ORCID: https://orcid.org/0000-0002-2277-415X, Dutta, Gargi, Beale, Andrew M., Strange, Richard W., Yong, Chin, Sherwood, Paul, Senn, Hans M., Catlow, C. richard A. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-0356-7067, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0001-6691-2377 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0001-5075-1089 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-8885-1560, Davidson, Matthew, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0001-8885-1560, Davidson, Matthew, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew J ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., López-Martín, Ángeles, Qin, Tian, Allen, Christopher S., Edwards, Jennifer. K. ORCID: https://orcid.org/0000-0003-4089-2827, Chen, Liwei, Skjøth-Rasmussen, Martin Skov, Liu, Xi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0002-6927-4371 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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. ORCID: https://orcid.org/0000-0002-0946-6304, Smit, Joost J., Johnston, Peter and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-6571-5731, Stenner, Alex, Singleton, James, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Freakley, Simon J., Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Chen, Liwei, Yamamoto, Yasushi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-7348-1755, Stewart, James J. P., Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0001-6691-2377 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 ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-2277-415X, Woodley, Scott M., Senn, Hans M., Sherwood, Paul, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-7864-6261 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. ORCID: https://orcid.org/0000-0003-1406-5940 and Cable, Jo ORCID: https://orcid.org/0000-0002-8510-7055 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 ORCID: https://orcid.org/0000-0002-4404-9397, Fletcher-Charles, Jack, Choi, Heungjae ORCID: https://orcid.org/0000-0003-1108-293X, Slocombe, Daniel ORCID: https://orcid.org/0000-0003-3590-6075, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0001-8913-6606 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 ORCID: https://orcid.org/0000-0001-8912-1439, Arts, Karsten, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Chen, Zhuohui and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 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. ORCID: https://orcid.org/0000-0002-8961-1021 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0003-3165-4472, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-6571-5731 2023. XPS insights: Asymmetric peak shapes in XPS. Surface and Interface Analysis 10.1002/sia.7215

Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-6571-5731 2023. Core-level spectra of metallic lanthanides: Dysprosium (Dy). Surface Science Spectra 30 (2) , 024017. 10.1116/6.0002917

Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-0713-2642 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-4616-6001, 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas, Lewis, Richard J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0003-4394-766X, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-1480-7799 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-5135-4744, Powell, Lydia C. ORCID: https://orcid.org/0000-0002-8641-0160, Adams, Jennifer Y.M., Menzies, Georgina ORCID: https://orcid.org/0000-0002-6600-6507, Khan, Saira, Tondervik, Anne, Sletta, Havard, Olav, Aarstad, Skjåk-Bræk, Gudmund, McKenna, Stephen, Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057, Farnell, Damian J.J. ORCID: https://orcid.org/0000-0003-0662-1927, Rye, Philip D., Hill, Katja E. ORCID: https://orcid.org/0000-0002-8590-0117 and Thomas, David W. ORCID: https://orcid.org/0000-0001-7319-5820 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. ORCID: https://orcid.org/0000-0002-6453-7531, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831, 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-0375-0881, 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. ORCID: https://orcid.org/0000-0002-0713-2642, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Algara Siller, Gerardo, Gianolio, Diego, Aramini, Matteo, Lahn, Leopold, Kasian, Olga, Kondrat, Simon A., Schlögl, Robert, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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. ORCID: https://orcid.org/0000-0001-6675-3126, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-6162-7910, Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101, Morozzi, Chiara, Novelli, Giulia, Giannantonio, Daniele, Duggan, Katrina, Vittorio, Serena, Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182, De Luca, Laura and Williams, David ORCID: https://orcid.org/0000-0002-7351-5131 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0003-2319-260X, Sharma, Monika, Dearg, Malcolm, Wilding, Martin, Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0003-2319-260X, Sharma, Monika, Dearg, Malcolm, Wilding, Martin, Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0002-9807-1231, Miners, Kelly L., Llewellyn-Lacey, Sian, Kollnberger, Simon, Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869, Grant, Melissa M., Ladell, Kristin ORCID: https://orcid.org/0000-0002-9856-2938, Price, David A. ORCID: https://orcid.org/0000-0001-9416-2737 and McLaren, James E. ORCID: https://orcid.org/0000-0002-7021-5934 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0003-3145-3160, Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869, Fraser, Donald J. ORCID: https://orcid.org/0000-0003-0102-9342 and Bowen, Timothy ORCID: https://orcid.org/0000-0001-6050-0435 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 ORCID: https://orcid.org/0000-0003-0353-9004, Walkowiak, Jędrzej and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-8961-1021 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-8219-6419, Johns, Sam T., Walters, Rebecca, Miller, David J., Van der Kamp, Marc W. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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 ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Chen, Liwei, Liu, Xi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0001-8913-6606, Knippen, Katharina, Volkmer, Dirk, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0001-8913-6606, Ziese, Michael, Hausdorf, Steffen, Kaskel, Stefan, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0001-8913-6606, Bon, Volodymyr, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, 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. ORCID: https://orcid.org/0000-0002-1341-1541, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, 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 ORCID: https://orcid.org/0000-0001-6983-3156, Engel, Rebecca, Conway, Matthew B., Guo, Wanjun, Wu, Xin-Ping, Gong, Xue-Qing, Wang, Yanqin, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Chen, Liwei ORCID: https://orcid.org/0000-0001-6983-3156, Liu, Xi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-9073-1186 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-6691-2377, Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0001-8913-6606, Lewis, Richard J., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0002-5508-8236 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-6453-7531 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2023. Nickel‐catalyzed intramolecular alkene difunctionalization by ball‐milling. Advanced Synthesis & Catalysis 365 (9) , pp. 1477-1484. 10.1002/adsc.202300188

Willock, D.J. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-0356-7067 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 ORCID: https://orcid.org/0000-0002-8990-0667 2023. Hypervalent halogen compounds in electrochemical reactions: advantages and prospects. Advanced Synthesis & Catalysis 365 (16) , pp. 2676-2689. 10.1002/adsc.202300412

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2023. Hypervalent iodine in electrochemical reactions: advantages and prospects. SIS Letters (24)

Wright, Anna I., Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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 ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0001-6691-2377 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. ORCID: https://orcid.org/0000-0002-8658-3897, Paul, Alison ORCID: https://orcid.org/0000-0002-7653-9964, Eaton, Mark ORCID: https://orcid.org/0000-0002-7388-6522, Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-6571-5731, Shaw, Greg, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Bethell, Donald, McIntosh, Steven, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-5638-8265, 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 ORCID: https://orcid.org/0000-0003-0353-9004, Kishore, Nanda and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0003-0353-9004, Kishore, Nanda and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-9943-548X, Horrocks, Paul D., Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 and Amoroso, Angelo J. ORCID: https://orcid.org/0000-0002-7601-5482 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. ORCID: https://orcid.org/0000-0002-7601-5482 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-0590-5496, Fallis, Ian ORCID: https://orcid.org/0000-0001-7361-0182, 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-1323-8830, Samperio, Raquel, Mart, Robert ORCID: https://orcid.org/0000-0003-2196-5840, Luk, Louis ORCID: https://orcid.org/0000-0002-7864-6261, Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088, Jones, Arwyn ORCID: https://orcid.org/0000-0003-2781-8905 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-1347-6203, Warwick, Michael E. A., Jones, Daniel R., Dunnill, Charles W., Daniel, Likius S., Uahengo, Veikko, Mitchell, Claire E., Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0002-6571-5731, Rowlands, Jeff, Brousseau, Emmanuel ORCID: https://orcid.org/0000-0003-2728-3189, Kulik, Tetiana, Palianytsia, Borys, Mansell, Jason Peter, Birchall, James ORCID: https://orcid.org/0000-0001-8521-6924, Wilkinson, Thomas ORCID: https://orcid.org/0000-0003-0397-6079, Sloan, Alastair ORCID: https://orcid.org/0000-0002-1791-0903 and Nishio Ayre, Wayne ORCID: https://orcid.org/0000-0003-2405-1876 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-4404-9397, Magri, Giuseppina, Harari, Jaafar, Choi, Heungjae ORCID: https://orcid.org/0000-0003-1108-293X, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Slocombe, Daniel R. ORCID: https://orcid.org/0000-0003-3590-6075, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 and Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883 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. ORCID: https://orcid.org/0000-0003-0372-1551 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. ORCID: https://orcid.org/0000-0002-0375-0881, Shah, Anamik and Radadiya, Ashish ORCID: https://orcid.org/0000-0001-7348-1755 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 ORCID: https://orcid.org/0000-0001-8913-6606, Hill, Stephen, Krewald, Vera, Mahon, Mary F., Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, 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. ORCID: https://orcid.org/0000-0001-7361-0182 and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0001-5075-1089, Lawes, Naomi, Gow, Isla, Hayward, James, Esquius, Jonathan Ruiz, Richards, Nia, Smith, Louise R., Slater, Thomas J.A. ORCID: https://orcid.org/0000-0003-0372-1551, Davies, Thomas E., Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Kabalan, Lara, Logsdail, Andrew ORCID: https://orcid.org/0000-0002-2277-415X, Catlow, Richard C. ORCID: https://orcid.org/0000-0002-1341-1541, Taylor, Stuart ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-5075-1089, DeBeer, Serena, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Scheffler, Matthias, Schüth, Ferdi, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0001-5075-1089, 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 ORCID: https://orcid.org/0000-0001-5075-1089, 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. ORCID: https://orcid.org/0000-0002-0356-7067 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Chen, Liwei, Liu, Xi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0002-6571-5731, Liu, Xi, Bansmann, Joachim, Chen, Shilong, Behm, R. Jürgen and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-0713-2642 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. ORCID: https://orcid.org/0000-0002-2277-415X, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-0713-2642 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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 ORCID: https://orcid.org/0000-0001-7980-8624 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0002-6414-552X, 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. ORCID: https://orcid.org/0000-0002-1549-9727 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 ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0002-1341-1541, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, McIntosh, Steven and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-6691-2377, Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0001-6691-2377, Ariafard, Alireza and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-0946-6304 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. ORCID: https://orcid.org/0000-0002-3003-4768, Marsh, Richard ORCID: https://orcid.org/0000-0003-2110-5744 and Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0003-4394-766X 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. ORCID: https://orcid.org/0000-0002-8604-229X and Mauduit, Marc 2022. Challenges arising from continuous-flow olefin metathesis. Angewandte Chemie International Edition 61 (47) , e202209564. 10.1002/anie.202209564

Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, Carneiro, José Walkimar de M., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-6414-552X 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-4173-3430, Oubaha, Hamid, Fasano, Francesco, Melinte, Sorin, Gohy, Jean-François, Hughes, Colan E., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Demitri, Nicola, Abrami, Michela, Grassi, Mario and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0003-4640-541X, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-0946-6304, Sodiq-Ajala, Zeenat, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0003-1141-3487 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. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0003-1885-9297, Csontos, Judit ORCID: https://orcid.org/0000-0003-4597-3052, Pascoe, Michael ORCID: https://orcid.org/0000-0002-7794-8970, Westwell, Andrew ORCID: https://orcid.org/0000-0002-5166-9236, Gillen, Elizabeth ORCID: https://orcid.org/0000-0002-3700-3913, Bennett, Clare ORCID: https://orcid.org/0000-0002-5144-3894, Hannigan, Mark ORCID: https://orcid.org/0000-0002-2512-6721, Carrier, Judith ORCID: https://orcid.org/0000-0002-2657-2280 and Harden, Jane ORCID: https://orcid.org/0000-0001-8158-6450 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-7225-2878, 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-1347-6203, Uahengo, Veikko, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-7653-9964, 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. ORCID: https://orcid.org/0000-0003-1406-5940 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-1008-6595, Harwood, John L. ORCID: https://orcid.org/0000-0003-2377-2612 and Scofield, Simon ORCID: https://orcid.org/0000-0001-5466-314X 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. ORCID: https://orcid.org/0000-0002-7864-6261, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0002-3410-791X, Watkins, Andrew, Marshall, Christopher ORCID: https://orcid.org/0000-0002-2228-883X, Hueting, Rebekka, Warnier, Corentin, Gouverneur, Veronique and Tredwell, Matthew ORCID: https://orcid.org/0000-0002-4184-5611 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0002-8990-0667, Browne, Duncan L. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0002-6571-5731, Althahban, Sultan M., Davies, Thomas E., He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Wang, Fei, Fu, Jile, Bethell, Donald, McIntosh, Steven, Kiely, Christopher J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 2022. Au-Pd separation enhances bimetallic catalysis of alcohol oxidation. Nature 603 , pp. 271-275. 10.1038/s41586-022-04397-7

Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Davies, Philip R., Pattisson, Samuel, Davies, Thomas E., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Harder, Sjoerd 2022. Main Group Catalysis. European Journal of Inorganic Chemistry 2022 (26) , e202200414. 10.1002/ejic.202200414

Islam, Mazharul M. ORCID: https://orcid.org/0000-0002-5638-8265 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. ORCID: https://orcid.org/0000-0002-6453-7531 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Abdel-Wahab, Bakr F., Mohamed, Hanan A., Bekheit, Mohamed S. and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897, Abdel-Wahab, Bakr F., Mohamed, Hanan A. and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897, Abdel-Wahab, Bakr F., Mohamed, Hanan A. and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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 ORCID: https://orcid.org/0000-0003-4078-1000, 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 ORCID: https://orcid.org/0000-0002-2277-415X, 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-8990-0667 2022. Chiral iodotriptycenes: Synthesis and catalytic applications. ChemistryOpen 11 (7) , e202200145. 10.1002/open.202200145

Khan, Nasim, Itaya, Katsunori and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2022. Chiral iodotriptycenes: synthesis and catalytic applications. ChemistryOpen 11 (8) , e202200158. 10.1002/open.202200158

Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 2022. Perturbation-adapted perturbation theory. The Journal of Chemical Physics 156 , 011101. 10.1063/5.0079853

Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0003-3142-2831, Grayson, Matthew N. and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-6927-4371 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0002-2277-415X, Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551, Dearg, Malcolm, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Paris, Charlie, Singleton, James, Edwards, Jennifer. K. ORCID: https://orcid.org/0000-0003-4089-2827, Freakley, Simon J., Yamamoto, Yasushi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Chen, Liwei, Qi, Jizhen, Singleton, James, Edwards, Jennifer. K. ORCID: https://orcid.org/0000-0003-4089-2827, Freakley, Simon J., Kiely, Christopher J., Yamamoto, Yasushi and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Ernst, Johannes B., Freakley, Simon J., Glorius, Frank and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0001-8913-6606 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0002-8961-1021, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0001-8912-1439, Shaw, Greg and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 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. ORCID: https://orcid.org/0000-0002-5525-4329, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0002-0224-1647 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0003-4089-2827, Tarbit, Brian, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0003-3165-4472, Padovan, Daniele, Botti, Luca, Gibson, Emma K., Wells, Peter Philip, Owens, Alun, Kondrat, Simon, Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0001-7348-7612, Decarolis, Donato, Xu, Shaojun, Matam, Santhosh, Enciso, Willinton Yesid Hernández, Goodall, Josephine, Matthews, Brian and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-7348-7612, Goodall, Josephine, Anyika, Corinne, Matthews, Brian and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-7348-7612, Goodall, Josephine, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0001-7348-7612, Rosin, Paul ORCID: https://orcid.org/0000-0002-4965-3884, Sun, Xianfang ORCID: https://orcid.org/0000-0002-6114-0766, Livermore, Laurence, Durran, James, Turner, James, Dillen, Mathias, Musson, Alicia, Phillips, Sarah, Groom, Quentin and Hardisty, Alex ORCID: https://orcid.org/0000-0002-0767-4310 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-7105-0203 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0003-4078-1000, Smowton, Peter ORCID: https://orcid.org/0000-0002-9105-4842, Hou, Bo ORCID: https://orcid.org/0000-0001-9918-8223, 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. ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian and Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827 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. ORCID: https://orcid.org/0000-0002-7794-8970, Mandal, S. ORCID: https://orcid.org/0000-0001-8912-1439, Williams, O. A. ORCID: https://orcid.org/0000-0002-7210-3004 and Maillard, J. -Y. ORCID: https://orcid.org/0000-0002-8617-9288 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 ORCID: https://orcid.org/0000-0002-7794-8970, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-0946-6304, Smith, Louise R., Lazaridou, Anna, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Freakley, Simon J., Kondrat, Simon A., Smit, Joost J., Johnston, Peter and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0002-7954-5251 2022. C-H bond functionalization under electrochemical flow conditions. Chemical Record 22 (6) , e202100338. 10.1002/tcr.202100338

Pradhan, Tapas R. ORCID: https://orcid.org/0000-0003-1480-7799 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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. ORCID: https://orcid.org/0000-0001-8885-1560, Kondrat, Simon A., Morrison, Kate, Perkins, Eleanor F., Rushby, Alice V. and Bartley, Jonathan K. ORCID: https://orcid.org/0000-0003-4640-541X 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. ORCID: https://orcid.org/0000-0002-8893-1090, 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-6571-5731, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Golunski, Stanislaw E. ORCID: https://orcid.org/0000-0001-7980-8624 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0001-6675-3126, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Hampton, Euan, Gaskin, Paul and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Langbein, Wolfgang ORCID: https://orcid.org/0000-0001-9786-1023, Borri, Paola ORCID: https://orcid.org/0000-0002-7873-3314 and Masia, Francesco ORCID: https://orcid.org/0000-0003-4958-410X 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. ORCID: https://orcid.org/0000-0001-7102-055X, Paisey, Stephen J., Mollner, Tim A., Hell, Sandrine M., Trabanco, Andrés A., Genicot, Christophe, am Ende, Christopher W., Paton, Robert S., Tredwell, Matthew ORCID: https://orcid.org/0000-0002-4184-5611 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-6619-2098, White, Daniel A., Dos Santos Rodrigues, Patricia, Murphy, Robert C., Köfeler, Harald, Griffiths, William J., Alvarez-Jarreta, Jorge, Brown, Richard William, Newcombe, Robert G. ORCID: https://orcid.org/0000-0003-4400-8867, Heyman, James, Pritchard, Manon ORCID: https://orcid.org/0000-0002-5135-4744, Mcleod, Robert W. J., Arya, Arvind, Lynch, Ceri-Ann, Owens, David, Jenkins, P. Vince, Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057, O'Donnell, Valerie B. ORCID: https://orcid.org/0000-0003-4089-8460, Thomas, David W. ORCID: https://orcid.org/0000-0001-7319-5820 and Stanton, Richard J. ORCID: https://orcid.org/0000-0002-6799-1182 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0002-2621-1119, Barlow, Victoria L., Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 and Jones, Arwyn T. ORCID: https://orcid.org/0000-0003-2781-8905 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. ORCID: https://orcid.org/0000-0002-6453-7531 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 ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0002-6162-7910, Ferrari, Valentina ORCID: https://orcid.org/0000-0003-1895-8906, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X, 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 ORCID: https://orcid.org/0000-0003-2319-260X, Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551, Sharma, Monika, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0003-1406-5940 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 ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1341-1541 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-2277-415X, Hughes, Colan E., Iuga, Dinu, Young, Mark T. ORCID: https://orcid.org/0000-0002-9615-9002 and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-9615-9002, Pickard, Chris J., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Midgley, Paul and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-0946-6304, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8990-0667, 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 ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0003-1406-5940, 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. ORCID: https://orcid.org/0000-0002-0946-6304, Bere, Takudzwa, Barnes, Alexandra J., Shaw, Greg, Douthwaite, Mark, Pattisson, Samuel, Lewis, Richard J., Richards, Nia, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-4404-9397, Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883, Whiston, Keith, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0002-1933-4874, Carter, James, Dummer, Nicholas ORCID: https://orcid.org/0000-0002-0946-6304, Nasrallah, Ali, Willock, David ORCID: https://orcid.org/0000-0002-8893-1090 and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Li, Jiao Jiao, Fischer, Roland A., Huang, Jun, Dimitratos, Nikolaos and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-0946-6304, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Bethell, Donald, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-9073-1186 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0003-0718-6971, Malpass-Evans, Richard, McKeown, Neil B., Fletcher, Philip J., Estrela, Pedro, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0003-1406-5940, 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. ORCID: https://orcid.org/0000-0002-6453-7531 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2022. Mechanochemical organocatalysis: do high enantioselectivities contradict what we might expect? ChemSusChem 15 (2) , e202102157. 10.1002/cssc.202102157

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, 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 ORCID: https://orcid.org/0000-0003-0253-1625 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-6691-2377, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-7864-6261 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0003-4089-2827, Catlow, C. Richard A., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-6571-5731, Hewes, Dan and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0003-2319-260X 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0003-4394-766X, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8658-3897, Kidwell, Luke and Easun, Timothy ORCID: https://orcid.org/0000-0002-0713-2642 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0003-4640-541X, Dimitratos, Nikolaos, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Kiely, Christopher J. and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0003-3142-2831, Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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 ORCID: https://orcid.org/0000-0002-8270-388X, Ghara, Tina, Penchev, Pavel, Paul, Soumitra, Pruncu, Catalin I., Dimov, Stefan and Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0002-8219-6419, 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-8206-0730, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Sainna, Mala A. and Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-0356-7067 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. ORCID: https://orcid.org/0000-0002-0713-2642, 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0001-5412-0970, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0001-6361-5457, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Edwards, Jennifer. K. ORCID: https://orcid.org/0000-0003-4089-2827, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Slater, Thomas J. A. ORCID: https://orcid.org/0000-0003-0372-1551, Davies, Thomas E., Edwards, Jennifer. K. ORCID: https://orcid.org/0000-0003-4089-2827, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Qi, Jizhen, Jiang, Haoyu, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Liu, Xi, Skjøth-Rasmussen, Martin Skov and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-0260-5057, Ariafard, Alireza, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-1808-1211, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-0946-6304, Smith, Louise R., Lazaridou, Anna, Allen, Christopher S., Davies, Thomas E., Freakley, Simon J., Kondrat, Simon A, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Johnston, Peter and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-6414-552X, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-8658-3897, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Floreano, Luca, Goldoni, Andrea, Puschnig, Peter, Petaccia, Luca and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0001-9110-9711, 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 ORCID: https://orcid.org/0000-0002-6414-552X 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-2200-9578 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0002-6414-552X, 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. ORCID: https://orcid.org/0000-0003-0111-1709, 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. ORCID: https://orcid.org/0000-0003-0111-1709, 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. ORCID: https://orcid.org/0000-0002-2274-3708, Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869 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 ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-4173-3430, Bezzu, C. Grazia, Carta, Mariolino ORCID: https://orcid.org/0000-0003-0718-6971, Kerff, François, Demitri, Nicola, Su, Bao-Lian and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0002-5508-8236 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0001-8913-6606, Ritterskamp, Nadine, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0002-6620-4335, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7864-6261, 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. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-6927-4371 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0001-5412-0970, Macphee, Donald E. and Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606 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. ORCID: https://orcid.org/0000-0002-8271-0545, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Wang, Aiqin, Zhang, Tao, Roldan, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-4394-766X, Guan, Shaoliang, Lee, Roxy, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-8658-3897 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-7653-9964, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 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. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-1406-5940 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. ORCID: https://orcid.org/0000-0003-1806-9623, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X and Westwell, Andrew D. ORCID: https://orcid.org/0000-0002-5166-9236 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-4482-6392, Hayward, James, Davies, Philip ORCID: https://orcid.org/0000-0003-4394-766X and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0002-0356-7067 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-1141-3487, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Carley, Albert F., Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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 ORCID: https://orcid.org/0000-0003-0353-9004, 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0001-6190-9080 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. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0001-9103-1686, Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869, Cross, Deborah L., Cole, David K. ORCID: https://orcid.org/0000-0003-0028-9396, Can, Ilona, Davies, Bethan, Hashimdeen, Shaikh Shimaz, Reid, Reiss, Llewellyn-Lacey, Sian, Miners, Kelly L., Ladell, Kristin ORCID: https://orcid.org/0000-0002-9856-2938, Lissina, Anya, Brown, Paul E., Wooldridge, Linda, Price, David A. ORCID: https://orcid.org/0000-0001-9416-2737 and Rizkallah, Pierre J. ORCID: https://orcid.org/0000-0002-9290-0369 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0003-2781-8905 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-6571-5731, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-6571-5731, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 and De Leeuw, Nora Henriette ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0002-1235-4784, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-6453-7531, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0001-6361-5457, Castillo, Raquel, Lipka-Lloyd, Magdalena, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, Morrill, Louis Christian ORCID: https://orcid.org/0000-0002-6453-7531, Swiderek, Katarzyna, Moliner, Vicent and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0002-7105-0203, Jenkins, Robert, Knight, David W., Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Francisco, Manuel and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0001-7733-9473 and De Leeuw, N.H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-2277-415X, 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. ORCID: https://orcid.org/0000-0002-5508-8236 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0001-7980-8624, Hutchings, Graham J ORCID: https://orcid.org/0000-0001-8885-1560 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0001-7733-9473, Zhang, Yue, Hofmann, Jan P., De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-8913-6606, Matuszewska, Oliwia, Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879, Davidson, Robert W. M. and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-4078-1000, Soveral, Graça and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-9110-9711, Elgar, Christopher E., Otaif, Haleema Y., Zhang, Xue, Zhao, Jianzhang, Beames, Joseph M. ORCID: https://orcid.org/0000-0002-5508-8236, 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. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-6453-7531 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 ORCID: https://orcid.org/0000-0001-8913-6606, Davies, Thomas, Loveridge, Joel, Crole, David, Edwards, Jennifer ORCID: https://orcid.org/0000-0003-4089-2827, Kiely, Christopher John ORCID: https://orcid.org/0000-0001-5412-0970, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879, Maillard, Jean-Yves ORCID: https://orcid.org/0000-0002-8617-9288, Freakley, Simon, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 and Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0001-5075-1089 and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-5525-4329, Black, Constance, Smith, Louise, Mugford, Karl, Jenkins, Harry, Douthwaite, Mark, Dummer, Nicholas ORCID: https://orcid.org/0000-0002-0946-6304, Catlow, Richard ORCID: https://orcid.org/0000-0002-1341-1541, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Logsdail, Andrew ORCID: https://orcid.org/0000-0002-2277-415X and Willock, David ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0003-0132-0818 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. ORCID: https://orcid.org/0000-0002-1933-4874, 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 ORCID: https://orcid.org/0000-0001-6361-5457, Morrill, Louis Christian ORCID: https://orcid.org/0000-0002-6453-7531, Swiderek, Katarzyna, Moliner, Vicent and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Hampton, Euan, Gaskin, Paul and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-3199-9588, Roldan, Alberto and De Leeuw, Nora Henriette ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-2277-415X, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7322-3163, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Agouram, Said, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, 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 ORCID: https://orcid.org/0000-0003-1895-8906, Um, In Hwa, Chettle, James, Kazmi, Farasat, Campo, Leticia, Easton, Alistair, Nijman, Sebastian, Serpi, Michaela ORCID: https://orcid.org/0000-0002-6162-7910, 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 ORCID: https://orcid.org/0000-0002-8990-0667 2021. Electrochemical bromofunctionalization of alkenes in a flow reactor. Organic and Biomolecular Chemistry 19 (31) , pp. 6892-6896. 10.1039/D1OB01302E

Serpi, Michaela ORCID: https://orcid.org/0000-0002-6162-7910 and Pertusati, Fabrizio ORCID: https://orcid.org/0000-0003-4532-9101 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. ORCID: https://orcid.org/0000-0002-1808-1211 and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-4707-7190, Serpi, Michaela ORCID: https://orcid.org/0000-0002-6162-7910, Ghazaly, Essam, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897, McGuigan, Christopher ORCID: https://orcid.org/0000-0001-8409-710X 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. ORCID: https://orcid.org/0000-0003-3145-3160, Simpson, Kate, Lo Cicero, Matteo, Newbury, Lucy J., Nicholas, Philip, Fraser, Donald J. ORCID: https://orcid.org/0000-0003-0102-9342, Caiger, Nigel, Redman, James E. ORCID: https://orcid.org/0000-0001-5492-2869 and Bowen, Timothy ORCID: https://orcid.org/0000-0001-6050-0435 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. ORCID: https://orcid.org/0000-0002-0946-6304, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Knight, David W., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0001-6675-3126 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 ORCID: https://orcid.org/0000-0003-0132-0818 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0001-8913-6606, Ren, Hong and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0002-8219-6419, Escorcia, Andrés M., Huynh, Florence, Miller, David J., Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-0946-6304, Bere, Takudzwa, Shaw, Greg, Richards, Nia, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0001-5075-1089, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-0713-2642, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Freakley, Simon J., Davies, Thomas, Folli, Andrea ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Akdim, Ouardia, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-9073-1186, Santos Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-9073-1186, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-6571-5731, Golunski, Stan ORCID: https://orcid.org/0000-0001-7980-8624, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0003-4640-541X 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. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0002-6571-5731, Opperman, Diederik J., Smit, Martha Sophia, Alcalde, Miguel, Kotsiopoulos, Athanasios, Harrison, Susan T. L., Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-7361-0182, Wilson, Melanie ORCID: https://orcid.org/0000-0002-8834-8268, 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. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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 ORCID: https://orcid.org/0000-0002-8990-0667 2021. Flow electrochemistry: a safe tool for fluorine chemistry. Chemical Science 12 (26) , pp. 9053-9059. 10.1039/D1SC02123K

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2021. Iodine(III) mediators in electrochemical batch and flow reactions. Current Opinion in Electrochemistry 28 , 100701. 10.1016/j.coelec.2021.100701

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0001-6691-2377 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0002-8658-3897 and Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625 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 ORCID: https://orcid.org/0000-0001-6691-2377, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-6571-5731, Gao, Mingyu, Li, Dianqing, Feng, Junting and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0001-7855-8598, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-8658-3897, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121, Crespo-Otero, Rachel, Wasielewski, Michael R. and Wu, Yi-Lin ORCID: https://orcid.org/0000-0003-0253-1625 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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 ORCID: https://orcid.org/0000-0003-1347-6203, Sheehama, Jacobina, Warwick, Michael E. A., Jones, Daniel R., Mitchel, Claire, Likius, Daniel, Uahengo, Veikko, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Dunnill, Charles W. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7105-0203, Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-6620-4335, Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203, Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-7864-6261, Moliner, Vicent and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0002-8479-4164, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Freakley, Simon J., Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Moulijn, Jacob A. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-0718-6971 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Carley, Albert F., Humphreys, Mandy, Clarke, Michael J., Wormald, Patricia, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-1964-6832, Celorrio, Veronica, Davies-Jones, Josh A., Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Guan, Shaoliang, O'Reilly, Padraic and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-8219-6419, 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. ORCID: https://orcid.org/0000-0003-3719-7241 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-2277-415X, 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. ORCID: https://orcid.org/0000-0002-8961-1021 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. ORCID: https://orcid.org/0000-0002-8658-3897, Kidwell, Luke and Easun, Timothy L. ORCID: https://orcid.org/0000-0002-0713-2642 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-0589-5088, Wu, Shih-Hsiung and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0003-3142-2831, Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0001-5075-1089, Carter, James H., Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Edwards, Lee E. ORCID: https://orcid.org/0000-0003-2200-9578, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598, Hughes, Colan E., Robinson, Fiona, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0003-0111-1709, 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. ORCID: https://orcid.org/0000-0002-4616-6001 2020. A transition metal-gallium cluster formed: via insertion of "gaI". Chemical Communications 56 (58) , pp. 8139-8142. 10.1039/D0CC03559A

Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384, Thomas, Sophie, Klooster, Wim, Coles, Simon, Bourissou, Didier, Jenkins, Robert, Barone, Giampaolo and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-7733-9473, Hernandez-Tamargo, Carlos and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0003-4394-766X 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. ORCID: https://orcid.org/0000-0001-5075-1089 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 ORCID: https://orcid.org/0000-0001-5075-1089, 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 ORCID: https://orcid.org/0000-0001-5075-1089, 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 ORCID: https://orcid.org/0000-0001-5075-1089, Ruiz Esquius, Jonathan, Bahruji, Hasliza, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-3714-2742, Guidetti, Andrea, Liao, Yu-Kai, Podvorica, Leonora, Rezayi, Seyedeh Fardokht, Serra, IIenia, Thangavel, Kavipriya and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0002-9168-7674 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. ORCID: https://orcid.org/0000-0002-1341-1541, Chan-Thaw, Carine e., Manzoli, Maela, Dimitratos, Nikolaos, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, 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. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-4394-766X, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-1341-1541, Davidson, Matthew, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541 2020. Computational modelling as a tool in structural science. IUCrJ 7 (5) , pp. 778-779. 10.1107/S2052252520011793

Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0001-5412-0970, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-6571-5731, Golunski, Stan ORCID: https://orcid.org/0000-0001-7980-8624 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 2020. Mott and pseudogap localization in pressurized NbO2. Physical Review B 102 (4) , 045142. 10.1103/PhysRevB.102.045142

Craco, Luis and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 2020. All-t2g electronic orbital reconstruction of monoclinic MoO2 battery material. Applied Sciences 10 (17) , 5730. 10.3390/app10175730

Cresser-Brown, Joel, Rizkallah, Pierre ORCID: https://orcid.org/0000-0002-9290-0369, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, Roth, Christian, Miller, David J. and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0003-4089-2827, Shaw, Greg, Freakley, Simon J., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0003-1370-1167, Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Snowball, Malcolm, Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883 and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-4394-766X and Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0002-3626-1611, Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840, Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182, Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830, Al-Wattar, Eman A. H., Keymer, Nathaniel I., Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0001-7361-0182, Archibald, Stephen J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-8961-1021 and Vincent, Kylie A. 2020. Inorganic reaction mechanisms. Dalton Transactions 49 (15) , pp. 4597-4598. 10.1039/D0DT90059A

Delarmelina, Maicon ORCID: https://orcid.org/0000-0002-6414-552X, 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 ORCID: https://orcid.org/0000-0002-6414-552X, Quesne, Matthew G. and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1933-4874, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 and Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304 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 ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879, Mañas-Valero, Samuel, Coronado, Eugenio and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-4173-3430, Battisti, Tommaso, Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Demitri, Nicola, Hughes, Colan E., Williams, P. Andrew, Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-4173-3430 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 ORCID: https://orcid.org/0000-0002-1933-4874, Ford, Grayson, López, José Manuel, Solsona, Benjamin, Yang, Nating, Sanahuja-Parejo, Olga, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Garcia, Tomas and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0001-7348-1755, Heil, Jochen, Benner, Steven A., Clark, Timothy, Kast, Stefan M. and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0001-9110-9711, 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. ORCID: https://orcid.org/0000-0002-2621-1119, Birch, D., Patel, S.G., Tsai, Y.-H. ORCID: https://orcid.org/0000-0003-0589-5088, Nielsen, H. Mørck and Jones, Arwyn ORCID: https://orcid.org/0000-0003-2781-8905 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. ORCID: https://orcid.org/0000-0002-5990-1001, Kamoun, Elbadawy A., James, Craig ORCID: https://orcid.org/0000-0002-0569-182X, Jangher, Abdulhakim, Aljayyoussi, Ghaith, Griffiths, Peter, McKeown, Neil B. and Gumbleton, Mark ORCID: https://orcid.org/0000-0002-7386-311X 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. ORCID: https://orcid.org/0000-0003-0132-0818 2020. How to succeed in organic chemistry. Oxford: Oxford University Press.

Elliott, Mark ORCID: https://orcid.org/0000-0003-0132-0818 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 ORCID: https://orcid.org/0000-0002-1323-8830 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-1235-4784, Schwartz, Elise, Catlow, Richard Charles Arthur ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-0111-1709 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 2020. Binding modes of carboxylic acids on cobalt nanoparticles. Physical Chemistry Chemical Physics 22 (3) 10.1039/C9CP04485J

Faulkner, Christopher, Santos-Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Plant, David F. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-8913-6606, Choi, Heungjae ORCID: https://orcid.org/0000-0003-1108-293X, Barter, Michael ORCID: https://orcid.org/0000-0002-4404-9397, Harari, Jaafar, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Slocombe, Daniel ORCID: https://orcid.org/0000-0003-3590-6075, Porch, Adrian ORCID: https://orcid.org/0000-0001-5293-8883 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-6571-5731, Dimitratos, Nikolaos, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-4173-3430, Cabanillas-Gonzalez, Juan, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-4173-3430, Cabanillas-González, Juan, Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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 ORCID: https://orcid.org/0000-0001-7348-1755, Li, Wenbo, Liu, Huanting, Zhu, Wen, de Crécy-Lagard, Valérie, Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Liu, Xi, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Zong, Baoning and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-8913-6606 and Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 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. ORCID: https://orcid.org/0000-0001-8885-1560 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-9110-9711, 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 ORCID: https://orcid.org/0000-0002-0767-4310, Saarenmaa, Hannu, Casino, Ana, Dillen, Mathias, Gördderz, Karsten, Groom, Quentin, Hardy, Helen, Koureas, Dimitris, Nieva De La Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-8990-0667 and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0001-7855-8598, 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1323-8830 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-6571-5731, Carter, James H., Howe, Alexander G. R., He, Qian, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-0946-6304, Liu, Jinmin, Zhou, Yangtao, Guan, Yanan, Shen, Hengyu, Perdjon, Micheal ORCID: https://orcid.org/0000-0002-0224-1647 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6697-6589, Dunbabin, Alice, Benton, Jennifer C. R., Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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 ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-0356-7067 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. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-2200-9578, 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-0224-1647, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0002-7105-0203, Gong, Xiaoxiao, Howe, Alexander G. R., Dixon, Michael, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 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 ORCID: https://orcid.org/0000-0002-5656-0571, Millet, Coralie O., Williams, Catrin F. ORCID: https://orcid.org/0000-0001-8619-2581, Hayes, Anthony, Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711, Pope, Iestyn ORCID: https://orcid.org/0000-0002-4104-0389, Borri, Paola ORCID: https://orcid.org/0000-0002-7873-3314, Langbein, Wolfgang ORCID: https://orcid.org/0000-0001-9786-1023, 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 ORCID: https://orcid.org/0000-0003-0718-6971, 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 ORCID: https://orcid.org/0000-0002-6698-4714, 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 ORCID: https://orcid.org/0000-0001-7348-7612, 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. ORCID: https://orcid.org/0000-0002-0946-6304, Schwab, Ekkehard, Bender, Michael, Teles, J. Henrique and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Gibson, Emma K., Wells, Peter P., Aramini, Matteo, Gianolio, Diego, Thompson, Paul B. J., Johnston, Peter and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-4616-6001, 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 ORCID: https://orcid.org/0000-0001-7361-0182, Rubino, Joseph R., Ijaz, M. Khalid, Maillard, Jean-Yves ORCID: https://orcid.org/0000-0002-8617-9288 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0001-5075-1089, Silverwood, Ian P., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-2277-415X and Catlow, C. Richard. A ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0003-4891-3581, Althahban, Sultan, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Kiely, Christopher. J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7105-0203, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Engel, Rebecca V., Sainna, Mala A., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Agarwal, Nishtha, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-6361-5457, Luk, Louis ORCID: https://orcid.org/0000-0002-7864-6261, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384 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. ORCID: https://orcid.org/0000-0003-1480-7799 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. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0003-1141-3487, 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. ORCID: https://orcid.org/0000-0003-1141-3487, 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. ORCID: https://orcid.org/0000-0002-0356-7067 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0003-4657-6331, 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 ORCID: https://orcid.org/0000-0002-1235-4784 and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-6453-7531 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0001-7348-7612, Hardisty, Alex ORCID: https://orcid.org/0000-0002-0767-4310, 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 ORCID: https://orcid.org/0000-0001-7348-7612, Rosin, Paul L. ORCID: https://orcid.org/0000-0002-4965-3884, Sun, Xianfang ORCID: https://orcid.org/0000-0002-6114-0766, 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. ORCID: https://orcid.org/0000-0002-2621-1119, Wu, Shih-Hsiung, Jones, Arwyn T. ORCID: https://orcid.org/0000-0003-2781-8905, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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 ORCID: https://orcid.org/0000-0001-6361-5457, Williams, Thomas L., Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-2277-415X, Sokol, A. A. and Catlow, C. R. A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0003-2699-4384, Pöthig, Alexander, Platts, James ORCID: https://orcid.org/0000-0002-1008-6595, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0001-7733-9473, Pons-Martí, Amalia, Yang, Zhenni, Zhang, Kelvin H. L., de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-0946-6304, Richards, Nia, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Golunski, Stanislaw E. ORCID: https://orcid.org/0000-0001-7980-8624 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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 ORCID: https://orcid.org/0000-0003-0253-1625 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. ORCID: https://orcid.org/0000-0002-6571-5731, Pattisson, Samuel, Kaowphong, Sulawan and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-7348-1755 and Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0001-7348-1755, Zhu, Wen, Coricello, Adriana, Alcaro, Stefano and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0002-3199-9588, Aparicio, Pablo A. ORCID: https://orcid.org/0000-0003-3719-7241, Quesne, Matthew G., Maenetja, Khomotso P., Ngoepe, Phuti E. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-4891-3581, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Golunski, Stanislaw ORCID: https://orcid.org/0000-0001-7980-8624 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E., Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Golunski, Stanislaw ORCID: https://orcid.org/0000-0001-7980-8624 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731, Spanos, Ioannis, Hewes, Daniel G., Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-3149-7331, Ainsworth, Richard I. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-1141-3487, 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 ORCID: https://orcid.org/0000-0001-6361-5457 2020. Design and development of novel organocatalytic artificial enzymes. PhD Thesis, Cardiff University. Item availability restricted.

Santi, Nicolò ORCID: https://orcid.org/0000-0001-6361-5457, Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0001-7855-8598 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-1808-1211, Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 and Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-6927-4371, 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0002-2894-0657, Manby, Frederick R. and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-4984-1823, Caulfield, John C., Pickett, John A. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0001-6691-2377, Slater, Ben, Stefkova, Katarina, Vladimirov, Vladimir Y., Wilkins, Lewis C., Willcox, Darren and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0001-9110-9711, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Carthey, Nicholas and Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-5508-8236 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0001-7855-8598, 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 ORCID: https://orcid.org/0000-0003-4891-3581, Lu, Li, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Carthey, Nicholas, Johnston, Peter, Kondrat, Simon A., Freakley, Simon J., Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-0589-5088 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0003-4173-3430, Simon, Francois, Velari, Simone, De Vita, Alessandro, Tecilla, Paolo and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-1933-4874 2020. Catalysts for oxidative destruction of volatile organic compounds. Catalysts 10 (3) , 343. 10.3390/catal10030343

Tecilla, Paolo and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0003-2699-4384, Escudero Sanchez, Jorge, Meier-Menches, Samuel M., Brown, Christopher, Wolf, Mike, Barone, Giampaolo, Luk, Louis Y. ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-9073-1186, Santos-Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Cadi-Essadek, Abdelaziz, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-3199-9588, Postica, Vasile, Hansen, Sandra, Cavers, Heather, Wolff, Niklas, Terasa, Maik-Ivo, Hoppe, Mathias, Cadi-Essadek, Abdelaziz, Dankwort, Torben, Kienle, Lorenz, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-8219-6419, Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-6571-5731, Grunwaldt, Jan-Dierk, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0003-4657-6331, 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 ORCID: https://orcid.org/0000-0002-2894-0657, 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 ORCID: https://orcid.org/0000-0002-6414-552X, 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. ORCID: https://orcid.org/0000-0002-1808-1211 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-6453-7531 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 ORCID: https://orcid.org/0000-0001-6691-2377 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 ORCID: https://orcid.org/0000-0002-8990-0667 2020. Electrochemistry in flow for drug discovery. Topics in Medicinal Chemistry, Vol. 38. Springer, pp. 121-172. (10.1007/7355_2021_115)

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0001-5075-1089, Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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. ORCID: https://orcid.org/0000-0001-7361-0182 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-7864-6261, Zhao, Yibing, Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0002-0375-0881 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-1347-6203 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 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 ORCID: https://orcid.org/0000-0002-6620-4335, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Freakley, Simon J. and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-2277-415X, Diskin-Posner, Yael and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-7601-5482 and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 and El-Hiti, Gamal A. ORCID: https://orcid.org/0000-0001-6675-3126 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. ORCID: https://orcid.org/0000-0003-0372-1551 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 ORCID: https://orcid.org/0000-0002-1323-8830, Scott, Alan F., Luk, Louis Y.-P. ORCID: https://orcid.org/0000-0002-7864-6261, 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 ORCID: https://orcid.org/0000-0002-8990-0667, Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0003-4089-2827, Lewis, Richard J., Alotaibi, Raja and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8990-0667 2019. Efficient flow electrochemical alkoxylation of N-formylpyrrolidine. SYNLETT 30 (10) , pp. 1183-1186. 10.1055/s-0037-1611774

Angelastro, Antonio ORCID: https://orcid.org/0000-0002-4023-7411, Ruiz-Pernía, J. Javier, Tuñón, Iñaki, Moliner, Vicent, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-0713-2642 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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. ORCID: https://orcid.org/0000-0002-8658-3897, Stewart, Jack A., Taylor, Rebekah L., Williams, Andrew, Jones, Matthew D., Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 and Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940 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 ORCID: https://orcid.org/0000-0001-5075-1089 and Davies, Philip R ORCID: https://orcid.org/0000-0003-4394-766X 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. ORCID: https://orcid.org/0000-0003-0260-5057 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. ORCID: https://orcid.org/0000-0003-0260-5057 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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. ORCID: https://orcid.org/0000-0002-2125-9754, Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Papageorgiou, Andreas, Jones, Tyrone G. and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-9168-7674 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 ORCID: https://orcid.org/0000-0001-5075-1089, 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 ORCID: https://orcid.org/0000-0001-5075-1089 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-9168-7674 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 ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0002-1726-7225, Nicholson, William I., Jones, Andrew C. and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 2019. Robust Buchwald-Hartwig amination enabled by ball-milling. Organic and Biomolecular Chemistry 17 (7) , pp. 1722-1726. 10.1039/C8OB01781F

Cao, Qun ORCID: https://orcid.org/0000-0002-1726-7225, Stark, Roderick, Fallis, Ian ORCID: https://orcid.org/0000-0001-7361-0182 and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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 ORCID: https://orcid.org/0000-0002-6620-4335, 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 ORCID: https://orcid.org/0000-0002-0356-7067, Browne, Duncan ORCID: https://orcid.org/0000-0002-8604-229X and Melen, Rebecca ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0001-7449-2720, Freakley, Simon J., Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Golunski, Stan and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-1341-1541 2019. Computational and materials structural science. IUCrJ 6 (4) , pp. 501-502. 10.1107/S2052252519009114

Cattaneo, Stefano, Althahban, Sultan, Freakley, Simon, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Davies, Thomas, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, Kiely, Christopher ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1933-4874, 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 ORCID: https://orcid.org/0000-0002-8219-6419, 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 ORCID: https://orcid.org/0000-0002-0224-1647, 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. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-0718-6971, 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. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0002-6571-5731, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Carter, James H., Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0001-9980-054X, Williams, Oliver A., Johnson, Benjamin R. G., Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182, Loveridge, E. Joel, Bahra, Gurmit S., Oyston, Petra C. F., Herrera, Juan Manuel and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-6414-552X, 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 ORCID: https://orcid.org/0000-0002-1323-8830 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 ORCID: https://orcid.org/0000-0002-6620-4335, 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 ORCID: https://orcid.org/0000-0001-5717-0121 2019. Templating porphyrin anisotropy via magnetically aligned carbon nanotubes. ChemPlusChem 84 (9) , pp. 1270-1278. 10.1002/cplu.201800623

Dosso, Jacopo ORCID: https://orcid.org/0000-0003-4173-3430, Marinelli, Davide, Demitri, Nicola and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-2200-9578, Mack, Paul and Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-1323-8830 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0001-7449-2720, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-1235-4784, Francis, Samantha and Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0003-0111-1709, 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. ORCID: https://orcid.org/0000-0003-0111-1709 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. ORCID: https://orcid.org/0000-0003-0111-1709, 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 ORCID: https://orcid.org/0000-0003-0353-9004, Tian, Chenchen, Zheng, Yanping, Duan, Xinping, Chen, Kun, Ye, Linmin, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0002-3199-9588, Cadi Essadek, Abdelaziz and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-3714-2742, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-3199-9588, Petersen, Melissa A., Jones, Glenn, van Steen, Eric and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0002-8893-1090, Davies, Thomas E., Lu, Li, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0002-5470-0278 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. ORCID: https://orcid.org/0000-0002-5470-0278 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 ORCID: https://orcid.org/0000-0002-8990-0667 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-0726-7467 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0001-8619-2581, Hayes, Anthony J., Ward, Benjamin D. ORCID: https://orcid.org/0000-0003-1406-5940, Isaacs, Marc D., Symonds, Nadine O., Lloyd, David ORCID: https://orcid.org/0000-0002-5656-0571, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-0356-7067 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-5470-0278 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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 ORCID: https://orcid.org/0000-0001-5075-1089 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-0353-9004 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-6691-2377 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0003-4640-541X, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Jenkins, Robert L., Murayama, Toru, Reece, Christian, Ueda, Wataru, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7855-8598, 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 ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-9168-7674 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827 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. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-0713-2642, 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 ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089 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 ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0003-0253-1625 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. ORCID: https://orcid.org/0000-0002-6697-6589, Mart, Robert J. ORCID: https://orcid.org/0000-0003-2196-5840, Rizkallah, Pierre ORCID: https://orcid.org/0000-0002-9290-0369 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-8658-3897, Dege, Necmi and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0003-1141-3487 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. ORCID: https://orcid.org/0000-0003-1141-3487, 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-6414-552X, 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 ORCID: https://orcid.org/0000-0003-4891-3581, Edwards, Jennifer ORCID: https://orcid.org/0000-0003-4089-2827, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Yasushi, Yamamoto and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0001-8913-6606, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0002-6571-5731, Freakley, Simon J., Dimitratos, Nikolaos, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Gao, Xiang, Beale, Andrew M., Bethell, Donald, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-9290-0369, Legut, Mateusz, Holland, Christopher J., Fuller, Anna, Bulek, Anna, Schauenburg, Andrea J., Trimby, Andrew, Hopkins, Jade R., Wells, Stephen A., Godkin, Andrew ORCID: https://orcid.org/0000-0002-1910-7567, Miles, John J., Sami, Malkit, Li, Yi, Liddy, Nathaniel, Jakobsen, Bent K., Loveridge, E. Joel, Cole, David K. ORCID: https://orcid.org/0000-0003-0028-9396 and Sewell, Andrew K. ORCID: https://orcid.org/0000-0003-3194-3135 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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. ORCID: https://orcid.org/0000-0002-5525-4329, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-8961-1021, 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 ORCID: https://orcid.org/0000-0002-7954-5251, 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 2019. Organic electrosynthesis: electrochemical alkyne functionalization. Catalysis Science and Technology 9 (21) , pp. 5868-5881. 10.1039/C9CY01312A

Mazzei, Luca, Wenzel, Margot N. ORCID: https://orcid.org/0000-0001-6411-1816, Cianci, Michele, Palombo, Marta, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0001-6691-2377 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. ORCID: https://orcid.org/0000-0002-8271-0545, 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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. ORCID: https://orcid.org/0000-0001-7733-9473, Tia, Richard, Adei, Evans and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-8658-3897 and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0003-1141-3487, 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 ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Hargreaves, Justin, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 and De Leeuw, Nora Henriette ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-6927-4371 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. ORCID: https://orcid.org/0000-0002-6571-5731 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-7954-5251 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. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0002-9168-7674 2019. Acceptorless alcohol dehydrogenation catalysed by Pd/C. ChemSusChem 12 (22) , pp. 4953-4961. 10.1002/cssc.201901313

Nieva De La Hidalga, Abraham ORCID: https://orcid.org/0000-0001-7348-7612, 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 ORCID: https://orcid.org/0000-0001-7348-7612 and Hardisty, Alex ORCID: https://orcid.org/0000-0002-0767-4310 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 ORCID: https://orcid.org/0000-0001-7348-7612, Owen, David ORCID: https://orcid.org/0000-0002-4028-0591, Spasic, Irena ORCID: https://orcid.org/0000-0002-8132-3885, Rosin, Paul ORCID: https://orcid.org/0000-0002-4965-3884 and Sun, Xianfang ORCID: https://orcid.org/0000-0002-6114-0766 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. ORCID: https://orcid.org/0000-0002-7864-6261 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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 ORCID: https://orcid.org/0000-0001-7449-2720, Althahban, Sultan, Leah, Tom D., Shaw, Greg, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-6571-5731, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Gibson, Emma K., Wells, Peter P., Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0003-4640-541X, Miedziak, Peter J., Hirayama, Jun, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0001-5530-8895, Roussel, Erwan G., Bahruji, Hasliza, Webster, Gordon ORCID: https://orcid.org/0000-0002-9530-7835, Oldroyd, Anthony, Weightman, Andrew J. ORCID: https://orcid.org/0000-0002-6671-2209, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X and Sass, Henrik ORCID: https://orcid.org/0000-0001-8740-4224 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. ORCID: https://orcid.org/0000-0002-2621-1119, He, Lin, Narayan, Rohan, Williams, Thomas L., Mills, Emily M., Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830, Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261, Jones, Arwyn T. ORCID: https://orcid.org/0000-0003-2781-8905 and Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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. ORCID: https://orcid.org/0000-0001-5412-0970, 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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. ORCID: https://orcid.org/0000-0002-5508-8236 and Pope, Simon J.A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-1599-9542, 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. ORCID: https://orcid.org/0000-0002-6453-7531 2019. Iron-catalyzed borrowing hydrogen β-C(sp3)-methylation of alcohols. ACS Catalysis 9 (9) , pp. 8575-8580. 10.1021/acscatal.9b02461

Polyak, Iakov ORCID: https://orcid.org/0000-0002-2894-0657, Hutton, Lewis, Crespo-Otero, Rachel, Barbatti, Mario and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0002-2894-0657, Richings, Gareth W., Habershon, Scott and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0002-3199-9588, Dankwort, Torben, Kienle, Lorenz, Hoppe, Mathias, Essadek-Cadi, Abdelaziz, De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0003-1480-7799 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-0353-9004, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-8271-0545 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0001-6691-2377, Murphy, D. M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0003-0353-9004 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0003-0260-5057 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-5941-4879, Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 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 ORCID: https://orcid.org/0000-0001-5717-0121, 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 ORCID: https://orcid.org/0000-0002-7954-5251 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-6571-5731, Hampton, Euan, Gaskin, Paul and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-2277-415X 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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 ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-9290-0369, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, Luk, Louis Y.-P. ORCID: https://orcid.org/0000-0002-7864-6261 and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0001-7980-8624 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. ORCID: https://orcid.org/0000-0002-6571-5731, Davies, Thomas E. and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0002-6571-5731 and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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 ORCID: https://orcid.org/0000-0001-8885-1560, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0003-0353-9004, De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 2019. Selenium reagents as catalysts. Catalysis Science & Technology 9 (5) , pp. 1073-1091. 10.1039/C8CY02274G

Slater, Thomas ORCID: https://orcid.org/0000-0003-0372-1551 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. ORCID: https://orcid.org/0000-0002-0946-6304, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Howard, Mark, Knight, David W., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-0713-2642, 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. ORCID: https://orcid.org/0000-0002-0946-6304, Douthwaite, Mark, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Howard, Mark, Knight, David W., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0003-1406-5940 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0003-2319-260X, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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 ORCID: https://orcid.org/0000-0002-1008-6595, Mantzourani, Efi ORCID: https://orcid.org/0000-0002-6313-1409 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. ORCID: https://orcid.org/0000-0002-9073-1186, 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. ORCID: https://orcid.org/0000-0002-9073-1186, 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 ORCID: https://orcid.org/0000-0002-9073-1186, Santos Carballal, David ORCID: https://orcid.org/0000-0002-3199-9588, Cadi, Abdelaziz, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-2894-0657, 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 ORCID: https://orcid.org/0000-0003-1599-9542, 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 ORCID: https://orcid.org/0000-0001-7166-2253, Powell, Lydia C. ORCID: https://orcid.org/0000-0002-8641-0160, Aarstad, Olav A., Williams, Thomas L., Wenzel, Margot N. ORCID: https://orcid.org/0000-0001-6411-1816, Thomas, David W. ORCID: https://orcid.org/0000-0001-7319-5820 and Ferguson, Elaine L. ORCID: https://orcid.org/0000-0002-0125-0234 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 ORCID: https://orcid.org/0000-0002-7105-0203, Ellis, Peter, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-1141-3487 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. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0002-7105-0203, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-4657-6331 and Beames, Joseph M ORCID: https://orcid.org/0000-0002-5508-8236 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 ORCID: https://orcid.org/0000-0001-6411-1816, Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384, Thomas, Sophie, Bourissou, Didier, Barone, Giampaolo and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-6411-1816, Mósca, Andreia F., Graziani, Valentina, Aikman, Brech, Thomas, Sophie R., De Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Platts, James A. ORCID: https://orcid.org/0000-0002-1008-6595, Re, Nazzareno, Coletti, Cecilia, Marrone, Alessandro, Soveral, Graça and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-6411-1816, Woods, Benjamin and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0003-3142-2831 2019. Illuminating Lewis acidity strength. Chem 5 (6) , pp. 1362-1363. 10.1016/j.chempr.2019.04.001

Willcox, Darren and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 2019. Borane-catalyzed heterocycle synthesis. Trends in Chemistry 1 (6) , pp. 625-626. 10.1016/j.trechm.2019.06.011

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0001-6411-1816, Sayers, Edward J. ORCID: https://orcid.org/0000-0002-2621-1119, Kühn, Fritz E., Jones, Arwyn T. ORCID: https://orcid.org/0000-0003-2781-8905 and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-6411-1816, Williams, Thomas, Thomas, Sophie R., Jenkins, Robert L. and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0002-6889-1503, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 and Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0001-7733-9473, Sharma, Akhil, Hendrix, Marco M. R. M., Bol, Ageeth A., De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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. ORCID: https://orcid.org/0000-0001-7733-9473, Gao, Lu, Richard, Marie-Ingrid, Friedrich, Heiner, De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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. ORCID: https://orcid.org/0000-0001-7733-9473, Yu, Miao, Mezari, Brahim, van Hoof, Arno J. F., Friedrich, Heiner, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0003-4891-3581, Qin, Yudao, Xie, Jijia, Swertz, Ann-Christin, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, 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 ORCID: https://orcid.org/0000-0003-4891-3581, Liu, Suqin, Zhao, Kuangmin, Su, Yuke, Zhu, Weiwei, Huang, Rongjiao and He, Zhen ORCID: https://orcid.org/0000-0003-4891-3581 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-8990-0667, 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-2277-415X, 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 ORCID: https://orcid.org/0000-0002-8658-3897, Nambalan Sivaraman, Saleesh Kumar, Bruce, Duncan W, Dolbnya, Igor P., Collins, Stephen P, Malandain, Andrew and Harris, Kenneth D M ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-8658-3897, Hughes, Colan E., Samanta, Ranita, Devarapalli, Ramesh, Reddy, C. Malla, Apperley, David C. and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0001-7348-1755, 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 ORCID: https://orcid.org/0000-0002-6927-4371, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 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 ORCID: https://orcid.org/0000-0001-7348-1755, 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 ORCID: https://orcid.org/0000-0002-6927-4371, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J. ORCID: https://orcid.org/0000-0002-0375-0881 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Stephan, Douglas W. 2019. Electrophilic boron carboxylate and phosphinate complexes. Dalton Transactions 48 (6) , pp. 2038-2045. 10.1039/C8DT04818E

Zivkovic, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203 2019. Computational investigations of copper oxides for solar cell applications. PhD Thesis, Cardiff University. Item availability restricted.

Živković, Aleksandar ORCID: https://orcid.org/0000-0003-1347-6203, Farkas, Barbara, Uahengo, Veikko, De Leeuw, Nora H ORCID: https://orcid.org/0000-0002-8271-0545 and Dzade, Nelson Y ORCID: https://orcid.org/0000-0001-7733-9473 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 ORCID: https://orcid.org/0000-0003-1347-6203, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-1347-6203, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-6927-4371, 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 ORCID: https://orcid.org/0000-0002-6927-4371, 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 ORCID: https://orcid.org/0000-0003-4089-2827, Howe, Alexander, Armstrong, Robert, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, 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 ORCID: https://orcid.org/0000-0002-1341-1541, Conway, Matthew, Davies, Josh, Davies, Philip ORCID: https://orcid.org/0000-0003-4394-766X, De Masi, Déborah, Demirci, Cansunur, Edwards, Jennifer K. ORCID: https://orcid.org/0000-0003-4089-2827, Friend, Cynthia, Gallarati, Simone, Hargreaves, Justin, Huang, Haoliang, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0002-6620-4335, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Willock, David ORCID: https://orcid.org/0000-0002-8893-1090, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Kiely, Christopher J. and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7954-5251 2018. Peptide bond frmations through flow chemistry. Chemical Biology and Drug Design 91 (2) , pp. 647-650. 10.1111/cbdd.13115

Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251, 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 ORCID: https://orcid.org/0000-0002-6889-1503, Meier-Menches, Samuel M. and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0001-6411-1816, Mósca, Andreia, De Almeida, Andreia ORCID: https://orcid.org/0000-0002-6889-1503, Klooster, Wim, Coles, Simon, Soveral, Graça and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0001-7733-9473, Tia, Richard, Adei, Evans, Catlow, C. R. A. ORCID: https://orcid.org/0000-0002-1341-1541 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-3719-7241, Dawson, James A., Islam, M. Saiful and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0001-5412-0970, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0002-1341-1541, Chutia, Arunabhiram, Davies, Philip ORCID: https://orcid.org/0000-0003-4394-766X, de Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Hargreaves, Justin, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0002-7653-9964, James, Craig ORCID: https://orcid.org/0000-0002-0569-182X, 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0003-4657-6331, 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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 ORCID: https://orcid.org/0000-0001-5075-1089 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-5075-1089, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0001-5075-1089, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0002-0356-7067 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. ORCID: https://orcid.org/0000-0002-1341-1541, Davies, Josh, Dononelli, Wilke, Freund, Hans-Joachim, Friend, Cynthia, Gates, Bruce, Genest, Alexander, Guan, Shaoliang, Hardacre, Christopher, Hargreaves, Justin, Huang, Haoliang, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, 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 ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0003-0260-5057 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 ORCID: https://orcid.org/0000-0002-7864-6261, Tunon, Inaki, Moliner, Vicent and Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830 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 ORCID: https://orcid.org/0000-0003-3714-2742, 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 ORCID: https://orcid.org/0000-0003-0718-6971, 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0002-2894-0657, 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. ORCID: https://orcid.org/0000-0003-4657-6331 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. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0001-5717-0121, 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 ORCID: https://orcid.org/0000-0003-2699-4384, 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 ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0002-8206-0730, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, Guan, Shaoliang, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0001-5075-1089, 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. ORCID: https://orcid.org/0000-0002-1341-1541, Farrow, M. R., Logsdail, Andrew J. ORCID: https://orcid.org/0000-0002-2277-415X, 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 ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0003-0353-9004 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-1341-1541, Wells, P.P. and Dimitratos, N. ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0002-1341-1541, Wells, Peter and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0002-1726-7225, Howard, Joseph L., Crawford, Deborah E., James, Stuart L. and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-1726-7225, Howard, Joseph L., Wheatley, Emilie and Browne, Duncan L. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-5470-0278, 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. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Recent advances in the gold-catalysed low-temperature water-gas shift reaction. Catalysts 8 (12) , p. 627. 10.3390/catal8120627

Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0003-1599-9542, Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384 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 ORCID: https://orcid.org/0000-0002-1341-1541 2018. The structural science of functional materials. IUCrJ 5 (1) , pp. 1-3. 10.1107/S2052252517018474

Catlow, Charles Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 and Logsdail, Andrew ORCID: https://orcid.org/0000-0002-2277-415X 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 ORCID: https://orcid.org/0000-0002-6571-5731, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0003-2673-0565, Kilias, Stephanos, Ivarsson, Magnus, Rattray, Jayne E., Gkika, Katerina, McDonald, Iain ORCID: https://orcid.org/0000-0001-9066-7244, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581 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 ORCID: https://orcid.org/0000-0003-2673-0565, Kilias, Stephanos, Ivarsson, Magnus, Rattray, Jayne E., Gkika, Katerina, McDonald, Iain, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581 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 ORCID: https://orcid.org/0000-0002-0946-6304, Carter, James, Meyer, Randall, Armstrong, Robert, Williams, Christopher, Shaw, Greg, Jacobs, Sara, Bhasin, Madan, Willock, David ORCID: https://orcid.org/0000-0002-8893-1090, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-0946-6304, Carter, James, Williams, Christopher, Shaw, Greg, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Yacob, Sarah, Meyer, Randall J., Bhasin, Madan and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0003-0372-1551, 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 ORCID: https://orcid.org/0000-0002-8893-1090 and Catlow, C. Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-6190-9080, 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 ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-6571-5731, Prati, Laura, Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335, 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 ORCID: https://orcid.org/0000-0001-7348-7612, Hardisty, Alex ORCID: https://orcid.org/0000-0002-0767-4310 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. ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0001-5412-0970 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 ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0001-7980-8624, Taylor, Stuart H ORCID: https://orcid.org/0000-0002-1933-4874, 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 ORCID: https://orcid.org/0000-0001-7980-8624, Johnston, Peter, Lalev, Georgi and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0001-5717-0121, 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 ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0001-7733-9473 and de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-7733-9473 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-0713-2642 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. ORCID: https://orcid.org/0000-0001-6999-753X, Newman, Paul David ORCID: https://orcid.org/0000-0002-1808-1211, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, 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 ORCID: https://orcid.org/0000-0001-6023-5221 and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0002-8658-3897 2018. S-[2-(2,2-Dimethylpropanamido)-3-(trifluoromethyl)phenyl] N,N-diisopropyldithiocarbamate. IUCrData 3 (1) 10.1107/S2414314618000299

Elsherbini, Mohamed and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0001-7449-2720, Pattisson, Samuel, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-0353-9004, Aparicio-Anglès, Xavier and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0001-8913-6606, Bloh, Jonathan Zacharias, Armstrong, Katherine Louise, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377, Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879, Lu, Li, Kiely, Christopher ORCID: https://orcid.org/0000-0001-5412-0970, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-0718-6971, 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-7105-0203, Cattaneo, Stefano, Bethell, Donald, Dua, Vivek, Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7105-0203, 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-8658-3897 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 ORCID: https://orcid.org/0000-0001-9980-054X, Mandal, Soumen ORCID: https://orcid.org/0000-0001-8912-1439, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Lewis, Ryan, Davies, Philip R. ORCID: https://orcid.org/0000-0003-4394-766X, Borri, Paola ORCID: https://orcid.org/0000-0002-7873-3314, Morley, Gavin W. and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 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. ORCID: https://orcid.org/0000-0002-0713-2642, 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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 ORCID: https://orcid.org/0000-0002-5873-1119, Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203 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. ORCID: https://orcid.org/0000-0003-1406-5940, Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-7105-0203 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 ORCID: https://orcid.org/0000-0003-4394-766X, Gibson, Emma K, Lennon, David, Rossi, Giovanni E., Winfield, John, Callison, June, Wells, Peter P. and Willock, David J ORCID: https://orcid.org/0000-0002-8893-1090 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. ORCID: https://orcid.org/0000-0002-1008-6595, Lloyd, David ORCID: https://orcid.org/0000-0002-5656-0571, Isaacs, Marc, Hayes, Anthony J., Coles, Simon J., Pitak, Mateusz B., Marchant, Sarah, Marriott, Stephen N., Allemann, Rudolf K. ORCID: https://orcid.org/0000-0002-1323-8830, Dervisi, Athanasia ORCID: https://orcid.org/0000-0002-0590-5496 and Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182 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 ORCID: https://orcid.org/0000-0002-9168-7674, 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 ORCID: https://orcid.org/0000-0001-6411-1816, 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 ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0002-7105-0203, 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 2018. Advances in electro- and sono-microreactors for chemical synthesis. RSC Advances 8 (39) , pp. 22233-22249. 10.1039/C8RA03406K

Hatcher, Lauren E. ORCID: https://orcid.org/0000-0002-1549-9727 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-1726-7225 and Browne, Duncan ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Strasser, Peter and Edwards, Jennifer Kelly ORCID: https://orcid.org/0000-0003-4089-2827 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 ORCID: https://orcid.org/0000-0002-8658-3897 and Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598 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 ORCID: https://orcid.org/0000-0001-7855-8598 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. ORCID: https://orcid.org/0000-0001-8885-1560 and Catlow, C. Richard ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-8885-1560, Catlow, C.R. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0001-8885-1560 2018. Heterogeneous gold catalysis. ACS Central Science 4 (9) , pp. 1095-1101. 10.1021/acscentsci.8b00306

Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560, Iqbal, Sarwat, Miedziak, Peter, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Edwards, Jennifer ORCID: https://orcid.org/0000-0003-4089-2827 and He, Qian ORCID: https://orcid.org/0000-0003-4891-3581 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. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0002-8658-3897, Shafiq, Zahid, Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 and Ahmed, Nisar ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-0946-6304, Shi, Jianwen, Tian, Mingjiao, Ma, Chunyan, Hao, Zhengping, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, 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 ORCID: https://orcid.org/0000-0003-4891-3581, Miedziak, Peter J., Brett, Gemma Louise, Dummer, Nicholas F. ORCID: https://orcid.org/0000-0002-0946-6304, Perdjon, Michal ORCID: https://orcid.org/0000-0002-0224-1647, Liu, Jinmin and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-0224-1647, 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 ORCID: https://orcid.org/0000-0003-4078-1000 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. ORCID: https://orcid.org/0000-0002-6697-6589, Robertson, Angus J., Baxter, Nicola J., Trevitt, Clare R., Bisson, Claudine, Jin, Yi ORCID: https://orcid.org/0000-0002-6927-4371, 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 ORCID: https://orcid.org/0000-0002-6571-5731, Bartley, Jonathan ORCID: https://orcid.org/0000-0003-4640-541X, Willock, David ORCID: https://orcid.org/0000-0002-8893-1090, Ueda, Wataru and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-8885-1560, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Scott, John and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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. ORCID: https://orcid.org/0000-0001-7733-9473, 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 ORCID: https://orcid.org/0000-0003-1599-9542 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. ORCID: https://orcid.org/0000-0002-1323-8830 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. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0002-8658-3897 and Newman, Paul D. ORCID: https://orcid.org/0000-0002-1808-1211 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. ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-4482-6392, Bahruji, Hasliza, Bowker, Michael ORCID: https://orcid.org/0000-0001-5075-1089, Davies, Philip Rosser ORCID: https://orcid.org/0000-0003-4394-766X, 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. ORCID: https://orcid.org/0000-0003-3142-2831 and Morrill, Louis C. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0001-7855-8598 and Kariuki, Benson M. ORCID: https://orcid.org/0000-0002-8658-3897 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. ORCID: https://orcid.org/0000-0002-8961-1021, 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0003-4640-541X, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Spencer, Michael S., Kelly, Gordon J., Park, Colin W., Kiely, Christopher ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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. ORCID: https://orcid.org/0000-0002-6453-7531, 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 ORCID: https://orcid.org/0000-0003-1406-5940 and Pope, Simon ORCID: https://orcid.org/0000-0001-9110-9711 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 ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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. ORCID: https://orcid.org/0000-0001-7980-8624, 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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 ORCID: https://orcid.org/0000-0001-8913-6606, Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0002-2277-415X, Downing, Christopher A., Keal, Thomas W, Sherwood, Paul, Sokol, Alexey A. and Catlow, Charles Richard A. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0002-2277-415X, 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. ORCID: https://orcid.org/0000-0002-1323-8830 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 ORCID: https://orcid.org/0000-0002-2277-415X, Sokol, Alexey A., Catlow, C Richard A ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0003-0372-1551, 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-8912-1439, Thomas, Evan L. H., Gines, Laia ORCID: https://orcid.org/0000-0001-9980-054X, Morgan, David ORCID: https://orcid.org/0000-0002-6571-5731, Green, Joshua, Brousseau, Emmanuel B. ORCID: https://orcid.org/0000-0003-2728-3189 and Williams, Oliver A. ORCID: https://orcid.org/0000-0002-7210-3004 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. ORCID: https://orcid.org/0000-0002-6571-5731, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0003-0253-1625 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 ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0001-6691-2377 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. ORCID: https://orcid.org/0000-0002-8271-0545, 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 ORCID: https://orcid.org/0000-0001-5717-0121, 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-6571-5731, Perdjon, Michal ORCID: https://orcid.org/0000-0002-0224-1647 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-4089-2827, Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874, Knight, David, Tarbit, Brian and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-8990-0667, 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. ORCID: https://orcid.org/0000-0003-1141-3487, 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 ORCID: https://orcid.org/0000-0002-0713-2642 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 ORCID: https://orcid.org/0000-0003-0718-6971, 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. ORCID: https://orcid.org/0000-0002-1933-4874, 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. ORCID: https://orcid.org/0000-0002-6571-5731 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 ORCID: https://orcid.org/0000-0002-6889-1503, Wragg, Darren, Martins, Ana P., Sabir, Farzana, Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000, Moura, Teresa F., Prista, Catarina, Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0002-6620-4335, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-6453-7531, Jin, Yi, Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088, Moliner, Vicent and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 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. ORCID: https://orcid.org/0000-0002-4616-6001 2018. Dehydrogenation of dimethylamine-borane mediated by group 1 pincer complexes. Chemical Communications 54 (15) , pp. 1825-1828. 10.1039/C7CC08385H

Nowicka, Ewa ORCID: https://orcid.org/0000-0001-7449-2720, Althahban, Sultan M., Luo, Yuan, Kriegel, René, Shaw, Greg, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Watanabe, Masashi, Armbrüster, Marc, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0001-7449-2720, Hickey, Niamh W., Meenakshisundaram, Sankar ORCID: https://orcid.org/0000-0002-7105-0203, Jenkins, Robert L., Knight, David W., Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560, Francisco, Manuel and Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 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 ORCID: https://orcid.org/0000-0001-7449-2720, Reece, Christian, Althahban, Sultan M., Mohammed, Khaled M. H., Kondrat, Simon A., Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Golunski, Stanislaw ORCID: https://orcid.org/0000-0001-7980-8624, Kiely, Christopher J. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-7105-0203 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 ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1341-1541, 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 ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-4891-3581, 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 ORCID: https://orcid.org/0000-0002-9168-7674 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0001-5412-0970 and Hutchings, Graham John ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0003-4078-1000 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 ORCID: https://orcid.org/0000-0001-8913-6606 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 ORCID: https://orcid.org/0000-0002-7653-9964, Fallis, Ian A. ORCID: https://orcid.org/0000-0001-7361-0182, 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-8961-1021 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. ORCID: https://orcid.org/0000-0001-7361-0182, Hallett, Andrew J., O'Kell, Sean P., Beames, Joseph M. ORCID: https://orcid.org/0000-0002-5508-8236 and Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-0713-2642, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-6453-7531 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. ORCID: https://orcid.org/0000-0002-1316-5985, 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 ORCID: https://orcid.org/0000-0002-2894-0657, 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 ORCID: https://orcid.org/0000-0002-3199-9588, Lupan, Oleg, Cadi-Essadek, Abdelaziz, de Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545, 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. ORCID: https://orcid.org/0000-0002-8641-0160, Pritchard, Manon F. ORCID: https://orcid.org/0000-0002-5135-4744, Ferguson, Elaine L. ORCID: https://orcid.org/0000-0002-0125-0234, Powell, Kate A. ORCID: https://orcid.org/0000-0002-8641-0160, Patel, Shree U., Rye, Phil D., Sakellakou, Stavroula-Melina, Buurma, Niklaas J. ORCID: https://orcid.org/0000-0003-0260-5057, Brilliant, Charles D., Copping, Jack M., Menzies, Georgina E. ORCID: https://orcid.org/0000-0002-6600-6507, Lewis, Paul D., Hill, Katja E. ORCID: https://orcid.org/0000-0002-8590-0117 and Thomas, David W. ORCID: https://orcid.org/0000-0001-7319-5820 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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. ORCID: https://orcid.org/0000-0003-1480-7799, 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. ORCID: https://orcid.org/0000-0003-1480-7799 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 ORCID: https://orcid.org/0000-0003-4891-3581, Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 and Sankar, Meenakshisundaram ORCID: https://orcid.org/0000-0002-7105-0203 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 ORCID: https://orcid.org/0000-0003-0353-9004, De Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 and Catlow, C Richard A ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-5470-0278 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0001-6691-2377, 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 ORCID: https://orcid.org/0000-0001-5717-0121, 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0001-7449-2720, Carter, James H, Morgan, David J ORCID: https://orcid.org/0000-0002-6571-5731, Dummer, Nicholas F ORCID: https://orcid.org/0000-0002-0946-6304, Golunski, Stanislaw ORCID: https://orcid.org/0000-0001-7980-8624 and Hutchings, Graham J ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-8271-0545 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. ORCID: https://orcid.org/0000-0002-1008-6595, 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 ORCID: https://orcid.org/0000-0003-4078-1000, Wouters, Johan and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1341-1541, Gianolio, Diego, Wells, Peter P. and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0003-0353-9004 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 ORCID: https://orcid.org/0000-0002-6571-5731, Sankar, Meenakshisundaram and Hutchings, Graham ORCID: https://orcid.org/0000-0001-8885-1560 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. ORCID: https://orcid.org/0000-0002-1808-1211 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0002-6571-5731, 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 ORCID: https://orcid.org/0000-0003-0353-9004, Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674, He, Qian ORCID: https://orcid.org/0000-0003-4891-3581, Davies, Thomas, Villa, Alberto and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0003-0353-9004, Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674, Villa, Alberto and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0003-0353-9004, Hammond, Ceri ORCID: https://orcid.org/0000-0002-9168-7674, Villa, Alberto and Dimitratos, Nikolaos ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0001-5717-0121, 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 ORCID: https://orcid.org/0000-0002-3199-9588, Ngoepe, Phuti E. and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-3199-9588, Posada-Pérez, Sergio, Terranova, Umberto, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Illas, Francesc and De Leeuw, Nora ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-3199-9588, Roldan Martinez, Alberto ORCID: https://orcid.org/0000-0003-0353-9004, Dzade, Nelson Y. ORCID: https://orcid.org/0000-0001-7733-9473 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0001-7980-8624, 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. ORCID: https://orcid.org/0000-0002-1549-9727, 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-8604-229X 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. ORCID: https://orcid.org/0000-0002-8604-229X 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0001-8913-6606, Battisti, Tommaso, Beames, Joseph ORCID: https://orcid.org/0000-0002-5508-8236, Murphy, Damien ORCID: https://orcid.org/0000-0002-5941-4879 and Bonifazi, Davide ORCID: https://orcid.org/0000-0001-5717-0121 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 ORCID: https://orcid.org/0000-0002-1808-1211 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. ORCID: https://orcid.org/0000-0002-4616-6001 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. ORCID: https://orcid.org/0000-0002-4616-6001 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 ORCID: https://orcid.org/0000-0002-6620-4335 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 ORCID: https://orcid.org/0000-0002-7954-5251, 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-7954-5251 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0003-0132-0818 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 ORCID: https://orcid.org/0000-0002-8990-0667 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. ORCID: https://orcid.org/0000-0002-1808-1211, Pope, Simon J. A. ORCID: https://orcid.org/0000-0001-9110-9711 and Melen, Rebecca L. ORCID: https://orcid.org/0000-0003-3142-2831 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 ORCID: https://orcid.org/0000-0001-8913-6606, Richards, Emma ORCID: https://orcid.org/0000-0001-6691-2377 and Murphy, Damien M. ORCID: https://orcid.org/0000-0002-5941-4879 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. ORCID: https://orcid.org/0000-0002-5941-4879 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 ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0002-8219-6419 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 ORCID: https://orcid.org/0000-0002-8219-6419, 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. ORCID: https://orcid.org/0000-0002-7864-6261, Tsai, Yu-Hsuan ORCID: https://orcid.org/0000-0003-0589-5088 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 ORCID: https://orcid.org/0000-0003-0589-5088, Luk, Louis ORCID: https://orcid.org/0000-0002-7864-6261 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 ORCID: https://orcid.org/0000-0001-5717-0121 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0002-9168-7674 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 ORCID: https://orcid.org/0000-0002-7105-0203, Morgan, David John ORCID: https://orcid.org/0000-0002-6571-5731 and De Leeuw, Nora H. ORCID: https://orcid.org/0000-0002-8271-0545 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 ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0003-4089-2827 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0002-4184-5611, 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. ORCID: https://orcid.org/0000-0003-1141-3487, 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 ORCID: https://orcid.org/0000-0002-6620-4335 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. ORCID: https://orcid.org/0000-0001-5412-0970, 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. ORCID: https://orcid.org/0000-0002-1008-6595 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. ORCID: https://orcid.org/0000-0002-1341-1541 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 ORCID: https://orcid.org/0000-0003-4891-3581 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. ORCID: https://orcid.org/0000-0003-4657-6331 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 ORCID: https://orcid.org/0000-0002-6927-4371 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. ORCID: https://orcid.org/0000-0002-1341-1541 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. ORCID: https://orcid.org/0000-0003-3142-2831 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. ORCID: https://orcid.org/0000-0002-0946-6304, Chow, Ying Kit, Morgan, David J. ORCID: https://orcid.org/0000-0002-6571-5731, Yacob, Sara, Serna, Pedro, Willock, David J. ORCID: https://orcid.org/0000-0002-8893-1090, Meyer, Randall J., Taylor, Stuart H. ORCID: https://orcid.org/0000-0002-1933-4874 and Hutchings, Graham J. ORCID: https://orcid.org/0000-0001-8885-1560 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 ORCID: https://orcid.org/0000-0003-0589-5088 and Luk, Louis Y. P. ORCID: https://orcid.org/0000-0002-7864-6261 2018. Carbapenems as water soluble organocatalysts. Wellcome Open Research 2018 (3) , 107. 10.12688/wellcomeopenres.14721.1

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667 2018. Organoselenium chemistry. Encyclopedia of Inorganic and Bioinorganic Chemistry, Wiley, (10.1002/9781119951438.eibc2727)

Wirth, Thomas ORCID: https://orcid.org/0000-0002-8990-0667, 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 ORCID: https://orcid.org/0000-0002-8990-0667, 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 ORCID: https://orcid.org/0000-0002-6889-1503, Bonsignore, Riccardo ORCID: https://orcid.org/0000-0003-2699-4384, Kühn, Fritz E., Leoni, Stefano ORCID: https://orcid.org/0000-0003-4078-1000 and Casini, Angela ORCID: https://orcid.org/0000-0003-1599-9542 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 ORCID: https://orcid.org/0000-0003-0253-1625, 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.