ORCA
Online Research @ Cardiff

Clear Cookie - decide language by browser settings

Browse by Schools (by year)

Up a level

Group by: Creators | Item Type | No Grouping

Jump to: A | B | C | D | E | F | G | H | I | J | K | L | M | N | O | P | Q | R | S | T | U | V | W | X | Y | Z | Ž

Number of items: 415.

A

Abagale, Samson A, Woodcock, Christine M, Chamberlain, Keith, Osafo-Acquaah, Samuel, van Emden, Helmut, Birkett, Michael A, Pickett, John A

and Braimah, Haruna 2019. Attractiveness of host banana leaf materials to the banana weevil, Cosmopolites sordidus in Ghana for development of field management strategies. Pest Management Science 75 (2) , pp. 549-555. 10.1002/ps.5182

Abdullah, Norli, Bahruji, Hasliza, Rogers, Scott M., Wells, Peter P., Catlow, C. Richard A.

and Bowker, Michael

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

, Meenakshisundaram, Sankar

, Freakley, Simon J. and Hutchings, Graham J.

2019. Plasmonic oxidation of glycerol using AuPd/TiO2 catalysts. Catalysis Science and Technology 9 (20) , pp. 5686-5691. 10.1039/C9CY01409H

Agrawal, Kushagra and Kishore, Nanda 2019. Computational study on kinetics of conversion of bio-oil model compound - Anisole, to platform chemicals. Journal of Physics: Conference Series 1276 (1) , 012071. 10.1088/1742-6596/1276/1/012071

Agrawal, Kushagra, Verma, Anand M. and Kishore, Nanda 2019. Thermochemical conversion of guaiacol in aqueous phase by density functional theory. ChemistrySelect 4 (20) , pp. 6013-6025. 10.1002/slct.201900437

Agrawal, Kushagra, Verma, Anand Mohan and Kishore, Nanda 2019. DFT investigation on thermochemical analyses of conversion of xylose to linear alkanes in aqueous phase. Journal of Molecular Graphics and Modelling 90 , pp. 199-209. 10.1016/j.jmgm.2019.05.005

Ahmed, Nisar

and Vgenopoulou, Aggeliki 2019. Flow electrochemical cyclizations via amidyl radicals: easy access to cyclic ureas. SynOpen 03 (01) , pp. 46-48. 10.1055/s-0037-1611772

Akimenko, S. S., Gorbunov, V. A., Myshlyavtsev, A. V. and Stishenko, P. V. 2019. Tensor renormalization group study of hard-disk models on a triangular lattice. Physical Review E 100 (2) , 022108. 10.1103/PhysRevE.100.022108

Al Rahal, Okba, Hughes, Colan E., Williams, P. Andrew, Logsdail, Andrew J.

, Diskin-Posner, Yael and Harris, Kenneth D. M.

2019. Polymorphism of L-tryptophan. Angewandte Chemie International Edition 58 (52) , pp. 18788-18792. 10.1002/anie.201908247

Al Rahal, Okba 2019. Solid-state chemistry of pharmaceutical co-crystals, amino acids and other materials. PhD Thesis, Cardiff University.
Item availability restricted.

Al-Riyahee, Ali A.A., Horton, Peter N., Coles, Simon J., Amoroso, Angelo J.

and Pope, Simon J.A.

2019. Syntheses, X-ray structures and characterisation of luminescent chromium(III) complexes incorporating 8-quinolinato ligands. Polyhedron 157 , p. 396. 10.1016/j.poly.2018.10.019

Al-Sudani, Abdul-Razak H., Abdulridha, Myasim Qasim and Kariuki, Benson M.

2019. Di-μ3-chlorido-tetra-μ2-chlorido-dichloridotetrakis(N,N-diethylethane-1,2-diamine-κ2N,N′)tetracadmium(II). IUCrData 4 (12) , -. 10.1107/S2414314619016183

Aldosari, Obaid Fahad, Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. 5-Methyl-N'-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carbohydrazide, C22H22N8O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 1027-1029. 10.1515/ncrs-2019-0241

Aldosari, Obaid Fahad, Abdel-Wahab, Bakr F., Alotaibi, Mohammad Hayal, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A.

2019. 7-(4-Fluorobenzylidene)-3-(4-fluorophenyl)-N-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide-dimethylformamide (2/1), C27H23F2N3S, 0.5(C3H7NO). Zeitschrift für Kristallographie - New Crystal Structures 234 (6) , pp. 1141-1143. 10.1515/ncrs-2019-0261

Alghamdi, Nuha 2019. New derivatives of nitroimidazoles for the potential imaging and therapeutic treatment of hypoxic tissue. PhD Thesis, Cardiff University.

Item availability restricted.

Alghareeb, Shaimaa 2019. Selective oxidation of n-butanol using heterogeneous platinum metal nanoparticulate-based catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Aljdaimi, A., Devlin, H., Dickinson, M., Burnett, T. and Slater, T.J.A.

2019. Micron-scale crack propagation in laser-irradiated enamel and dentine studied with nano-CT. Clinical Oral Investigations 23 (5) , pp. 2279-2285. 10.1007/s00784-018-2654-0

Allemann, Rudolf K

, Scott, Alan F., Luk, Louis Y.-P.

, Tuñón, Iñaki and Moliner, Vicent 2019. Heavy enzymes and the rational redesign of protein catalysts. ChemBioChem 20 (22) , pp. 2807-2812. 10.1002/cbic.201900134

Allen, Benjamin D. W., Mishra, Deepak, Seastram, Alex C., McBride, Tom, Wirth, Thomas

, Browne, Duncan L.

and Morrill, Louis C.

2019. Manganese-catalyzed electrochemical deconstructive chlorination of cycloalkanols via alkoxy radicals. Organic Letters 21 (22) , pp. 9241-9246. 10.1021/acs.orglett.9b03652

Alotaibi, Faisal, Al-Mayman, Sulaiman, Alotaibi, Mohammad, Edwards, Jennifer K.

, Lewis, Richard J., Alotaibi, Raja and Hutchings, Graham J.

2019. Direct synthesis of hydrogen peroxide using Cs-containing heteropolyacid-supported palladium-copper catalysts. Catalysis Letters 149 (4) , pp. 998-1006. 10.1007/s10562-019-02680-3

Alotaibi, Mohammad Hayal, Abdel-Wahab, Bakr F., Aldosari, Obaid Fahad, Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. The crystal structure of N-(7-(4-fluorobenzylidene)-3-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbonothioyl)benzamide, C28H23F2N3OS. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 1083-1085. 10.1515/ncrs-2019-0281

Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O. Zeitschrift für Kristallographie - New Crystal Structures 234 (3) , 543. 10.1515/ncrs-2018-0546

Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. Crystal structure of N'-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2) , pp. 361-362. 10.1515/ncrs-2018-0420

Alotaibi, Mohammad Hayal, Mohamed, Hanan A., Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal 2019. Crystal structure of N'-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C18H17N5O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2) , pp. 355-357. 10.1515/ncrs-2018-0417

Alqahtani, Alaa, Abdel-Wahab, Bakr F., Hegazy, Amany S., Kariuki, Benson M.

and El-Hiti, Gamal A. 2019. Synthesis and crystal structure of 2-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2,3-dihydro-1H-inden-1-one, C23H16N2OS. Zeitschrift für Kristallographie - New Crystal Structures 234 (5) , pp. 969-971. 10.1515/ncrs-2019-0189

Amri, Nasser, Skilton, Ryan, Guthrie, Duncan and Wirth, Thomas

2019. Efficient flow electrochemical alkoxylation of N-formylpyrrolidine. SYNLETT 30 (10) , pp. 1183-1186. 10.1055/s-0037-1611774

Angelastro, Antonio

, Ruiz-Pernía, J. Javier, Tuñón, Iñaki, Moliner, Vicent, Luk, Louis Y. P.

and Allemann, Rudolf K.

2019. Loss of hyperconjugative effects drives hydride transfer during dihydrofolate reductase catalysis. ACS Catalysis 9 (11) , pp. 10343-10349. 10.1021/acscatal.9b02839

Antonangelo, Ariana R., Bezzu, C. Grazia, McKeown, Neil B. and Nakagaki, Shirley 2019. Highly active manganese porphyrin-based microporous network polymers for selective oxidation reactions. Journal of Catalysis 369 , pp. 133-142. 10.1016/j.jcat.2018.10.036

Armstrong, Katherine 2019. Characterisation and reactivity of TiO2 based materials for environmental applications; An EPR Investigation. PhD Thesis, Cardiff University.

Item availability restricted.

Armstrong, Robert David, Hirayama, Jun, Knight, David W and Hutchings, Graham J.

2019. Quantitative determination of Pt- catalyzed D-glucose oxidation products using 2D NMR. ACS Catalysis 9 (1) , pp. 325-335. 10.1021/acscatal.8b03838

Asghar, Aisha, Iqbal, Naseem, Noor, Tayyaba, Ali, Majid and Easun, Timothy L.

2019. Efficient one-pot synthesis of a hexamethylenetetramine-doped Cu-BDC metal-organic framework with enhanced CO2 adsorption. Nanomaterials 9 (8) , 1063. 10.3390/nano9081063

B

Bade, Bharat R., Rondiya, Sachin, Bhopale, Somnath R., Dzade, Nelson Y.

, Kamble, Mahesh M., Rokade, Avinash, Nasane, Mamta P., More, Mahendra A., Jadkar, Sandesh R. and Funde, Adinath M. 2019. Investigation of growth mechanism for highly oriented TiO2 nanorods: the role of reaction time and annealing temperature. SN Applied Sciences 1 (9) , 1073. 10.1007/s42452-019-0978-2

Bae, Youn Jue, Christensen, Joseph A., Kang, Gyeongwon, Zhou, Jiawang, Young, Ryan M., Wu, Yi-Lin

, Van Duyne, Richard P., Schatz, George C. and Wasielewski, Michael R. 2019. Substituent effects on energetics and crystal morphology modulate singlet fission in 9,10-bis(phenylethynyl)anthracenes. Journal of Chemical Physics 151 (4) , 044501. 10.1063/1.5110411

Bae, YounJue, Christensen, Joseph, Kang, Gyeongwon, Malliakas, Christos D., Zhou, Jiawang, Nelson, Jordan, Young, Ryan M., Wu, Yi-Lin

, Van Duyne, Richard P., Schatz, George, Wasielewski, Michael R., Congreve, Daniel, Bronstein, Hugo A., Nielsen, Christian and Deschler, Felix 2019. Design principles for efficient singlet fission in anthracene-based organic semiconductors. Presented at: SPIE Nanoscience + Engineering 2019, San Diego, CA, USA, 11-15 August 2019. Published in: Nielsen, Christine, Congreve, Daniel, Bronstein, Hugo A. and Deschler, Felix eds. Proceedings Volume 11084, Physical Chemistry of Semiconductor Materials and Interfaces XVIII. Society of Photo-Optical Instrumentation Engineers, p. 24. 10.1117/12.2527346

Bahili, Mohammed A., Stokes, Emily C., Amesbury, Robert C., Ould, Darren M. C., Christo, Bashar, Horne, Rhian, Kariuki, Benson M.

, Stewart, Jack A., Taylor, Rebekah L., Williams, Andrew, Jones, Matthew D., Harris, Kenneth D. M.

and Ward, Benjamin D.

2019. Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere. Chemical Communications 55 (53) , pp. 7679-7682. 10.1039/C9CC03339D

Bahruji, Hasliza, Bowker, Michael

and Davies, Philip R

2019. Influence of TiO2 structural structural properties on photocatalytic hydrogen gas production. Journal of Chemical Sciences 131 (4) , -. 10.1007/s12039-019-1608-7

Ballard, Andrew, Narduolo, Stefania, Ahmad, Hiwa O., Cosgrove, David A., Leach, Andrew G. and Buurma, Niklaas J.

2019. The problem of racemization in drug discovery and tools to predict it. Expert Opinion on Drug Discovery 14 (6) , pp. 527-539. 10.1080/17460441.2019.1588881

Ballard, Andrew, Narduolo, Stefania, Ahmad, Hiwa O., Keymer, Nathaniel I, Asaad, Nabil, Cosgrove, David A., Buurma, Niklaas J.

and Leach, Andrew G 2019. Racemisation in chemistry and biology. Chemistry - A European Journal 10.1002/chem.201903917

Bezzu, C. Grazia, Burt, Luke A., McMonagle, Charlie J., Moggach, Stephen A., Kariuki, Benson M.

, Allan, David R., Warren, Mark and McKeown, Neil B. 2019. Highly stable fullerene-based porous molecular crystals with open metal sites. Nature Materials 18 , pp. 740-745. 10.1038/s41563-019-0361-0

Biot, Nicolas 2019. Framing the chalcogen-bonding interaction in the supramolecular toolbox for solid-state applications. PhD Thesis, Cardiff University.

Item availability restricted.

Bland, Henry A., Thomas, Evan L. H., Klemencic, Georgina M.

, Mandal, Soumen

, Morgan, David J.

, Papageorgiou, Andreas, Jones, Tyrone G. and Williams, Oliver A.

2019. Superconducting diamond on silicon nitride for device applications. Scientific Reports 9 , 2911. 10.1038/s41598-019-39707-z

Botha, Louise M., Santos-Carballal, David, Terranova, Umberto, Quesne, Matthew G., Ungerer, Marietjie J., van Sittert, Cornelia G. C. E. and De Leeuw, Nora H.

2019. Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances 9 (30) , pp. 16948-16954. 10.1039/C9RA02320H

Botti, Luca, Navar, Ricardo, Tolborg, Søren, Martinez-Espin, Juan S., Padovan, Daniele, Taarning, Esben and Hammond, Ceri

2019. Influence of composition and preparation method on the continuous performance of Sn-Beta for glucose-fructose isomerisation. Topics in Catalysis 62 (17-20) , pp. 1178-1191. 10.1007/s11244-018-1078-z

Bowker, Michael

, Grillo, Federico and Archard, Daniel 2019. CO and O2 adsorption on K/Pt(111). Journal of Physical Chemistry C 123 (13) , pp. 8198-8205. 10.1021/acs.jpcc.8b08461

Bowker, Michael

2019. Methanol synthesis from CO2 hydrogenation. ChemCatChem 11 (17) , pp. 4238-4246. 10.1002/cctc.201900401

Boyle, Aimee L., Rabe, Martin, Crone, Niek S. A., Rhys, Guto G., Soler, Nicolas, Voskamp, Patrick, Pannu, Navraj S. and Kros, Alexander 2019. Selective coordination of three transition metal ions within a coiled-coil peptide scaffold. Chemical Science 10 (31) , pp. 7456-7465. 10.1039/C9SC01165J

Buckeridge, J., Veal, T.D., Catlow, C. R. A.

and Scanlon, D. O. 2019. Intrinsic point defects and the n- and p-type dopability of the narrow gap semiconductors GaSb and InSb. Physical Review B 100 (3) 10.1103/PhysRevB.100.035207

Buettner, Cornelia S., Willcox, Darren, Chappell, Ben G. N. and Gaunt, Matthew J. 2019. Mechanistic investigation into the C(sp3)–H acetoxylation of morpholinones. Chemical Science 10 (1) , pp. 83-89. 10.1039/C8SC03434F

C

Caiti, Massimiliano, Padovan, Daniele and Hammond, Ceri

2019. Continuous production of hydrogen from formic acid decomposition over heterogeneous nanoparticle catalysts: from batch to continuous flow. ACS Catalysis 9 (10) , pp. 9188-9198. 10.1021/acscatal.9b01977

Campisi, Sebastiano, Ferri, Michele, Chan-Thaw, Carine, Sanchez Trujillo, Felipe, Motta, Davide, Tabanelli, Tommaso, Dimitratos, Nikolaos

and Villa, Alberto 2019. Metal-support cooperative effects in Au/VPO for the aerobic oxidation of benzyl alcohol to benzyl benzoate. Nanomaterials 9 (2) , 299. 10.3390/nano9020299

Cao, Qun

, Nicholson, William I., Jones, Andrew C. and Browne, Duncan L.

2019. Robust Buchwald-Hartwig amination enabled by ball-milling. Organic and Biomolecular Chemistry 17 (7) , pp. 1722-1726. 10.1039/C8OB01781F

Cao, Qun

, Stark, Roderick, Fallis, Ian

and Browne, Duncan L.

2019. A ball-milling enabled Reformatsky reaction. ChemSusChem 12 (12) , pp. 2554-2557. 10.1002/cssc.201900886

Cao, Wenxiu, Lin, Lu, Qi, Haifeng, He, Qian

, Wu, Zhijie, Wang, Aiqin, Luo, Wenhao and Zhang, Tao 2019. In-situ synthesis of single-atom Ir by utilizing metal-organic frameworks: An acid-resistant catalyst for hydrogenation of levulinic acid to γ-valerolactone. Journal of Catalysis 373 , pp. 161-172. 10.1016/j.jcat.2019.03.035

Capelli, Sofia, Motta, Davide, Evangelisti, Claudio, Dimitratos, Nikolaos

, Prati, Laura, Pirola, Carlo and Villa, Alberto 2019. Bio adipic acid production from sodium muconate and muconic acid: a comparison of two systems. ChemCatChem 11 (13) , pp. 3075-3084. 10.1002/cctc.201900343

Carden, Jamie, Gierlichs, Lukas, Wass, Duncan

, Browne, Duncan

and Melen, Rebecca

2019. Unlocking the catalytic potential of tris(3,4,5-trifluorophenyl)borane with microwave irradiation. Chemical Communications 55 (3) , pp. 318-321. 10.1039/C8CC09459D

Carloni, Laure-Elie, Bezzu, C. Grazia and Bonifazi, Davide

2019. Patterning porous networks through self-assembly of programmed biomacromolecules. Chemistry - A European Journal 25 (71) , pp. 16179-16200. 10.1002/chem.201902576

Carloni, Laure-Elie, Mohnani, Stefan and Bonifazi, Davide

2019. Synthesis of 3,5-disubstituted isoxazoles through a 1,3-dipolar cycloaddition reaction between alkynes and nitrile oxides generated from O-silylated hydroxamic acids. European Journal of Organic Chemistry 2019 (44) , pp. 7322-7334. 10.1002/ejoc.201901045

Carter, James H., Shah, Parag M., Nowicka, Ewa

, Freakley, Simon J., Morgan, David

, Golunski, Stan and Hutchings, Graham J.

2019. Enhanced activity and stability of Gold/Ceria-Titania for the low-temperature water-gas shift reaction. Frontiers in Chemistry 7 , 443. 10.3389/fchem.2019.00443

Casini, Angela

and Crowley, James D. 2019. Editorial: supramolecular metal-based entities for biomedical and biological applications. Frontiers in Chemistry 7 , -. 10.3389/fchem.2019.00293

Catlow, C. Richard A.

2019. Computational and materials structural science. IUCrJ 6 (4) , pp. 501-502. 10.1107/S2052252519009114

Cattaneo, Stefano, Althahban, Sultan, Freakley, Simon, Meenakshisundaram, Sankar

, Davies, Thomas, He, Qian

, Dimitratos, Nikolaos

, Kiely, Christopher

and Hutchings, Graham J.

2019. Synthesis of highly uniform and composition-controlled gold-palladium supported nanoparticles in continuous flow. Nanoscale 17 , pp. 8247-8259. 10.1039/C8NR09917K

Cattaneo, Stefano, Sanchez Trujillo, Felipe J., Dimitratos, Nikolaos and Villa, Alberto 2019. The effect of carbon nanofibers surface properties in hydrogenation and dehydrogenation reactions. Applied Sciences 9 (23) , 5061. 10.3390/app9235061

Chachvalvutikul, Auttaphon, Jakmunee, Jaroon, Thongtem, Somchai, Kittiwachana, Sila and Kaowphong, Sulawan 2019. Novel FeVO4/Bi7O9I3 nanocomposite with enhanced photocatalytic dye degradation and photoelectrochemical properties. Applied Surface Science 475 , pp. 175-184. 10.1016/j.apsusc.2018.12.214

Chachvalvutikul, Auttaphon, Pudkon, Watcharapong, Luangwanta, Tawanwit, Thongtem, Titipun, Thongtem, Somchai, Kittiwachana, Sila and Kaowphong, Sulawan 2019. Enhanced photocatalytic degradation of methylene blue by a direct Z-scheme Bi2S3/ZnIn2S4 photocatalyst. Materials Research Bulletin 111 , pp. 53-60. 10.1016/j.materresbull.2018.10.034

Chaffey, Dawn R., Alamillo-Ferrer, Carla, Davies, Thomas E., Taylor, Stuart H.

, Tomkinson, Nicholas C. O. and Graham, Andrew E. 2019. Metal triflate-promoted allylic substitution reactions of cinnamyl alcohol in the presence of orthoesters and acetals. ACS Omega 4 , pp. 15985-15991. 10.1021/acsomega.9b02059

Chaubey, Mukesh Ghanshyam, Patel, Stuti Nareshkumar, Rastogi, Rajesh Prasad, Srivastava, Prabhakar Lal

, Singh, Arun Kumar, Madamwar, Datta and Singh, Niraj Kumar 2019. Therapeutic potential of cyanobacterial pigment protein phycoerythrin: in silico and in vitro study of BACE1 interaction and in vivo Aβ reduction. International Journal of Biological Macromolecules 134 , pp. 368-378. 10.1016/j.ijbiomac.2019.05.006

Chen, Chunhui, Wu, Li, Perdjon, Michal

, Huang, Xiaoyang and Peng, Yaxiong 2019. The drying effect on xanthan gum biopolymer treated sandy soil shear strength. Construction and Building Materials 197 , pp. 271-279. 10.1016/j.conbuildmat.2018.11.120

Chen, Huanhao, Mu, Yibing, Shao, Yan, Chansai, Sarayute, Xu, Shaojun, Stere, Cristina E., Xiang, Huan, Zhang, Rongxin, Jiao, Yilai, Hardacre, Christopher and Fan, Xiaolei 2019. Coupling non-thermal plasma with Ni catalysts supported on BETA zeolite for catalytic CO2 methanation. Catalysis Science and Technology 9 (15) , pp. 4135-4145. 10.1039/C9CY00590K

Chiangraeng, Natthiti, Chachvalvutikul, Auttaphon, Choklap, Wimonnat, Kaowphong, Sulawan and Nimmanpipug, Piyarat 2019. Synthesis of BiVO4 photocatalyst via cyclic microwave irradiation method. Presented at: 5th Southeast Asia Conference of Thermoelectrics (SACT 2018), Siem Reap, Cambodia, 14-17 December 2018. Ferroelectrics. , vol.552 (1) Taylor & Francis: STM, Behavioural Science and Public Health Titles, pp. 42-52. 10.1080/00150193.2019.1653081

Choudhuri, Khokan, Pramanik, Milan and Mal, Prasenjit 2019. λ3-Iodanes as visible light photocatalyst in thioacetalization of aldehydes. European Journal of Organic Chemistry 2019 (30) , pp. 4822-4826. 10.1002/ejoc.201900753

Christensen, Kirsten, Williams, P. Andrew, Patterson, Rhian, Palmer, Benjamin A., Couzi, Michel, Guillaume, François and Harris, Kenneth D. M.

2019. Reply to comment on Couzi et al. (2018): a phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 6 (8) , 190518. 10.1098/rsos.190518

Collier, Thomas A., Nash, Anthony, Birch, Helen L. and De Leeuw, Nora

2019. Relative orientation of collagen molecules within a fibril: a homology model for homo sapiens type I collagen. Journal of Biomolecular Structure and Dynamics 37 (2) , pp. 537-549. 10.1080/07391102.2018.1433553

Comesaña-Gándara, Bibiana, Chen, Jie, Bezzu, C. Grazia, Carta, Mariolino

, Rose, Ian, Ferrari, Maria-Chiara, Esposito, Elisa, Fuoco, Alessio, Jansen, Johannes C. and McKeown, Neil B. 2019. Redefining the Robeson upper bounds for CO2/CH4 and CO2/N2 separations using a series of ultrapermeable benzotriptycene-based polymers of intrinsic microporosity. Energy and Environmental Science 12 (9) , pp. 2733-2740. 10.1039/C9EE01384A

Cooper, Bridgette, Tudorovskaya, Maria, Mohr, Sebastian, O'Hare, Aran, Hanicinec, Martin, Dzarasova, Anna, Gorfinkiel, Jimena D., Benda, Jakub, Masín, Zdenek, Al-Refaie, Ahmed F., Knowles, Peter J.

and Tennyson, Jonathan 2019. Quantemol Electron Collisions (QEC): An enhanced expert system for performing electron molecule collision calculations using the R-matrix method. Atoms 7 (4) , 97. 10.3390/atoms7040097

Craco, L., Carara, S. S. and Leoni, S.

2019. Electronic structure of BiFeO3 in the presence of strong electronic correlations. Physical Review B 99 (4) , -. 10.1103/PhysRevB.99.045112

Craco, L. and Leoni, S.

2019. LDA+DMFT approach to electronic structure of sodium metal. Physical Review B 100 (11) , 115156. 10.1103/PhysRevB.100.115156

Craco, L. and Leoni, S.

2019. Theory of two-fluid metallicity in superconducting FeSe at high pressure. Physical Review B 100 (12) , -. 10.1103/PhysRevB.100.121101

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.

D

Dai, Xiaoxia, Wang, Xinwei, Long, Yunpeng, Pattisson, Samuel, Lu, Yunhao, Morgan, David John

, Taylor, Stuart H.

, Carter, James H., Hutchings, Graham J.

, Wu, Zhongbiao and Weng, Xiaole 2019. Efficient elimination of chlorinated organics on a phosphoric acid modified CeO2 catalyst: a hydrolytic destruction route. Environmental Science and Technology 53 (21) , pp. 12697-12705. 10.1021/acs.est.9b05088

Dambatta, Mubarak, Polidano, Kurt, Northey, Alexander D., Williams, Jonathan M. J. and Morrill, Louis C.

2019. Iron‐catalyzed borrowing hydrogen C‐Alkylation of oxindoles with alcohols. ChemSusChem 12 (11) , pp. 2345-2349. 10.1002/cssc.201900799

Dann, Ellie K., Gibson, Emma K., Blackmore, Rachel H., Catlow, C. Richard A.

, Collier, Paul, Chutia, Arunabhiram, Erden, Tugce Eralp, Hardacre, Christopher, Kroner, Anna, Nachtegaal, Maarten, Raj, Agnes, Rogers, Scott M., Taylor, S. F. Rebecca, Thompson, Paul, Tierney, George F., Zeinalipour-Yazdi, Constantinos D., Goguet, Alexandre and Wells, Peter P. 2019. Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis 2 , pp. 157-163. 10.1038/s41929-018-0213-3

Dann, Ellie K., Gibson, Emma K., Catlow, C. Richard A.

, Celorrio, Veronica, Collier, Paul, Eralp, Tugce, Amboage, Monica, Hardacre, Christopher, Stere, Cristina, Kroner, Anna, Raj, Agnes, Rogers, Scott, Goguet, Alexandre and Wells, Peter P. 2019. Combined spatially resolved operando spectroscopy: new insights into kinetic oscillations of CO oxidation on Pd/γ-Al2O3. Journal of Catalysis 373 , pp. 201-208. 10.1016/j.jcat.2019.03.037

Das, Trisha, Chatterjee, Rana, Majee, Adinath, Uyama, Hiroshi, Morgan, David

and Nandi, Mahasweta 2019. In situ synthesis of CuO nanoparticles over functionalized mesoporous silica and their application in catalytic syntheses of symmetrical diselenides. Dalton Transactions 48 , pp. 17874-17886. 10.1039/C9DT03418H

Davis, Dita, Carrod, Andrew J., Guo, Zhilin, Kariuki, Benson M.

, Zhang, Yuan-Zhu and Pikramenou, Zoe 2019. Imidodiphosphonate ligands for enhanced sensitization and shielding of visible and near-infrared lanthanides. Inorganic Chemistry 58 (19) , pp. 13268-13275. 10.1021/acs.inorgchem.9b02090

Dawson, Simon Rhys 2019. Acetylene hydrochlorination using gold catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Dawson, William M., Rhys, Guto G. and Woolfson, Derek N. 2019. Towards functional de novo designed proteins. Current Opinion in Chemical Biology 52 , pp. 102-111. 10.1016/j.cbpa.2019.06.011

Day, Adam H., Adams, Samuel J., Gines, Laia

, Williams, Oliver A., Johnson, Benjamin R. G., Fallis, Ian A.

, Loveridge, E. Joel, Bahra, Gurmit S., Oyston, Petra C. F., Herrera, Juan Manuel and Pope, Simon J. A.

2019. Synthetic routes, characterization and photophysical properties of luminescent, surface functionalized nanodiamonds. Carbon 152 , pp. 335-343. 10.1016/j.carbon.2019.05.081

Day, Adam 2019. Fluorescent nanodiamonds: bioengineered functional materials. PhD Thesis, Cardiff University.

Item availability restricted.

Delarmelina, Maicon

, Nicoletti, Caroline D., deMoraes, Marcela C., Futuro, Debora O., Bühl, Michael, de C. da Silva, Fernando, Ferreira, Vitor F. and de M.Carneiro, José W. 2019. α‐ and β‐ Lapachone isomerization in acidic media: Insights from experimental and implicit/explicit solvation approaches. ChemPlusChem 84 (1) , pp. 52-61. 10.1002/cplu.201800485

Demiray, Melodi, Miller, David J and Allemann, Rudolf K

2019. Harnessing enzyme plasticity for the synthesis of oxygenated sesquiterpenoids. Beilstein Journal of Organic Chemistry 15 , pp. 2184-2190. 10.3762/bjoc.15.215

Di Michele, Alessandro, Dell'Angelo, Anna, Tripodi, Antonio, Bahadori, Elnaz, Sanchez Trujillo, Felipe Juan, Motta, Davide, Dimitratos, Nikolaos

, Rossetti, Ilenia and Ramis, Gianguido 2019. Steam reforming of ethanol over Ni/MgAl2O4 catalysts. International Journal of Hydrogen Energy 44 (2) , pp. 952-964. 10.1016/j.ijhydene.2018.11.048

Dordevic, Luka, Marangoni, Tomas, Liu, Mingjie, De Zorzi, Rita, Geremia, Silvano, Minoia, Andrea, Lazzaroni, Roberto, Ishida, Yasuhiro and Bonifazi, Davide

2019. Templating porphyrin anisotropy via magnetically aligned carbon nanotubes. ChemPlusChem 84 (9) , pp. 1270-1278. 10.1002/cplu.201800623

Dosso, Jacopo

, Marinelli, Davide, Demitri, Nicola and Bonifazi, Davide

2019. Structural properties of highly doped borazino polyphenylenes obtained through condensation reaction. ACS Omega 4 (5) , pp. 9343-9351. 10.1021/acsomega.9b00830

E

Edwards, Lee

, Mack, Paul and Morgan, David J.

2019. Recent advances in dual mode charge compensation for XPS analysis. Surface and Interface Analysis 51 (9) , pp. 925-933. 10.1002/sia.6680

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M.

2019. 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-8H-indeno[1,2-d]thiazole. IUCrData 4 (2) 10.1107/S2414314619002189

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M.

2019. 3-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde. IUCrData 4 (2) 10.1107/S2414314619002177

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S. and Kariuki, Benson M.

2019. 4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazole. IUCrData 4 (3) 10.1107/S2414314619003596

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Alqahtani, Alaa, Hegazy, Amany S and Kariuki, Benson M.

2019. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2H-chromen-2-one. IUCrData 4 (2) 10.1107/S2414314619001706

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. 1-(4-Fluorophenyl)-5-methyl-N?-{1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 4 (2) 10.1107/S241431461900261X

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. 2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)thiazole. IUCrData 4 (2) 10.1107/S2414314619002402

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. N'-[5-Acetyl-3-(4-bromophenyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide dimethylformamide monosolvate. IUCrData 4 (2) 10.1107/S2414314619002487

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. N′-[5-Acetyl-3-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide dimethylformamide monosolvate. IUCrData 4 (1) 10.1107/S2414314619001482

El-Hiti, Gamal A., Abdel-Wahab, Bakr F., Yousif, Emad, Hayal Alotaibi, Mohammad, Hegazy, Amany S. and Kariuki, Benson M.

2019. 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine. IUCrData 4 (1) , x190136. 10.1107/S2414314619001366

El-Hiti, Gamal A, Abdel-Wahab, Bakr F., Yousif, Emad, Alotaibi, Mohammad Hayal, Hegazy, Amany S. and Kariuki, Benson M.

2019. 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methylthiazole. IUCrData 4 (2) , -. 10.1107/S2414314619002116

El-Mellouhi, Fedwa, Rashkeev, Sergey N., Marzouk, Asma, Kabalan, Lara, Belaidi, Abdelhak, Merzougui, Belabbes, Tabet, Nouar and Alharbi, Fahhad H. 2019. Intrinsic stability enhancement and ionic migration reduction by fluorinated cations incorporated in hybrid lead halide perovskites. Journal of Materials Chemistry. C 7 (18) , pp. 5299-5306. 10.1039/C8TC06308G

Elsherbini, Mohamed, Allemann, Rudolf K.

and Wirth, Thomas

2019. 'Dark' singlet oxygen made easy. Chemistry - A European Journal 25 (54) , pp. 12486-12490. 10.1002/chem.201903505

Elsherbini, Mohamed, Winterson, Bethan, Alharbi, Haifa, Folgueiras Amador, Ana A., Genot, Célina and Wirth, Thomas

2019. Continuous electrochemical generator of hypervalent iodine reagents: synthetic applications in flow. Angewandte Chemie International Edition 58 (29) , pp. 9811-9815. 10.1002/anie.201904379

Elsherbini, Mohamed and Wirth, Thomas

2019. Electroorganic synthesis under flow conditions. Accounts of Chemical Research 52 (12) , pp. 3287-3296. 10.1021/acs.accounts.9b00497

Engel, Rebecca V., Alsaiari, Raiedhah, Nowicka, Ewa

, Miedziak, Peter J., Kondrat, Simon A., Morgan, David J.

, Edwards, Jennifer K.

and Hutchings, Graham J.

2019. Solvent-free aerobic epoxidation of 1-decene using supported cobalt catalysts. Catalysis Today 333 , pp. 154-160. 10.1016/j.cattod.2018.09.005

Engel, Julien

, Francis, Samantha and Roldan Martinez, Alberto

2019. The influence of support materials on the structural and electronic properties of gold nanoparticles - a DFT study. Physical Chemistry Chemical Physics (35) , pp. 19011-19025. 10.1039/C9CP03066B

Espinal-Viguri, Maialen, Neale, Samuel E., Coles, Nathan T.

, Macgregor, Stuart A. and Webster, Ruth L. 2019. Room temperature iron-catalyzed transfer hydrogenation and regioselective deuteration of carbon–carbon double bonds. Journal of the American Chemical Society 141 (1) , 572–582. 10.1021/jacs.8b11553

Estrada-Ortiz, Natalia, Lopez-Gonzales, Elena, Woods, Ben, Stürup, Stefan, de Graaf, Inge A. M., Groothuis, Geny M. M. and Casini, Angela

2019. Ex vivo toxicological evaluation of experimental anticancer gold(I) complexes with lansoprazole-type ligands. Toxicology Research 8 (6) , pp. 885-895. 10.1039/C9TX00149B

Evans, Kieren J.

, Campbell, Cameron L., Haddow, Mairi F., Luz, Christian, Morton, Paul A. and Mansell, Stephen M. 2019. Lithium complexes with bridging and terminal NHC ligands: the decisive influence of an anionic tether. European Journal of Inorganic Chemistry 2019 (46) , pp. 4894-4901. 10.1002/ejic.201901003

Evans, Kieren J.

and Mansell, Stephen M. 2019. Synergic deprotonation generates alkali-metal salts of tethered fluorenide-NHC ligands co-complexed to alkali-metal amides. Chemistry - A European Journal 25 (15) , pp. 3766-3769. 10.1002/chem.201806278

Evans, Kieren J.

, Potrykus, Ben and Mansell, Stephen M. 2019. On the reactivity of N-tert-butyl-1,2-diaminoethane: synthesis of 1-tert-butyl-2-imidazoline, formation of an intramolecular carbamate salt from the reaction with CO2, and generation of a hydroxyalkyl-substituted imidazolinium salt. Heteroatom Chemistry 2019 , 1094173. 10.1155/2019/1094173

F

Fadeeva, Anastasiia I., Gorbunov, Vitaly A., Stishenko, Pavel V. and Myshlyavtsev, Alexander V. 2019. Model of Fe-Terephthalate ordering on Cu(100). Journal of Physical Chemistry C 123 (28) , 17265–17272. 10.1021/acs.jpcc.9b02834

Fang, L., Yan, Z., Vits, K., Southward, B. and Pera-Titus, M. 2019. Nanoceria-promoted low Pd–Ni catalyst for the synthesis of secondary amines from aliphatic alcohols and ammonia. Catalysis Science and Technology 9 (5) , pp. 1215-1230. 10.1039/C8CY01670D

Fang, Huihuang, Roldan Martinez, Alberto

, Tian, Chenchen, Zheng, Yanping, Duan, Xinping, Chen, Kun, Ye, Linmin, Leoni, Stefano

and Yuan, Youzhu 2019. Structural tuning and catalysis of tungsten carbides for the regioselective cleavage of C-O bonds. Journal of Catalysis 369 , pp. 283-295. 10.1016/j.jcat.2018.11.020

Farkas, Barbara, Santos Carballal, David

, Cadi Essadek, Abdelaziz and De Leeuw, Nora H.

2019. A DFT+U study of the oxidation of cobalt nanoparticles: Implications for biomedical applications. Materialia 7 , p. 100381. 10.1016/j.mtla.2019.100381

Faulkner, Christopher, Plant, David F. and de Leeuw, Nora H.

2019. Modulation of the gloeobacter violaceus ion channel by fentanyl: a molecular dynamics study. Biochemistry 58 (48) , pp. 4804-4808. 10.1021/acs.biochem.9b00881

Fermi, Andrea and Bonifazi, Davide

2019. Tailoring the photoredox properties of organic dyes. Photochemistry: Volume 47, Vol. 47. Royal Society of Chemistry, pp. 293-325. (10.1039/9781788016520-00293)

Fioco, David

, Belli Dell'Amico, Daniela, Labella, Luca, Marchetti, Fabio and Samaritani, Simona 2019. A sound sequence to triphenylphosphino dibromoplatinum(II) complexes – solvothermal preparation of trans-[PtBr(µ‐Br)(PPh3)]2. European Journal of Inorganic Chemistry 2019 (36) , pp. 3970-3974. 10.1002/ejic.201900711

Fletcher-Charles, Jack 2019. Synthesis of electrochromic oxygen-doped polycyclic aromatic hydrocarbons. MPhil Thesis, Cardiff University.

Item availability restricted.

Flodén, Nils J., Trowbridge, Aaron, Willcox, Darren, Walton, Scarlett M., Kim, Yongjoon and Gaunt, Matthew J. 2019. Streamlined synthesis of C(sp3)-Rich N-Heterospirocycles enabled by visible-light-mediated photocatalysis. Journal of the American Chemical Society 141 (21) , pp. 8426-8430. 10.1021/jacs.9b03372

Folgueiras Amador, Ana and Wirth, Thomas

2019. Electrochemistry under flow conditions. Luis, Santiago V. and Garcia-Verdugo, Eduardo, eds. Flow Chemistry: Integrated Approaches for Practical Applications, Green Chemistry Series, Royal Society of Chemistry, pp. 153-198. (10.1039/9781788016094-00153)

Freakley, Simon J., Kochius, Svenja, van Marwijk, Jacqueline, Fenner, Caryn, Lewis, Richard J., Baldenius, Kai, Marais, Sarel S., Opperman, Diederik J., Harrison, Susan T. L., Alcalde, Miguel, Smit, Martha S. and Hutchings, Graham J.

2019. A chemo-enzymatic oxidation cascade to activate C-H bonds with in situ generated H2O2. Nature Communications 10 (1) , 4178. 10.1038/s41467-019-12120-w

G

Galaverna, Renan, McBride, Tom, Pastre, Julio C. and Browne, Duncan L.

2019. Exploring the generation and use of acylketenes with continuous flow processes. Reaction Chemistry and Engineering 4 (9) , pp. 1559-1564. 10.1039/C9RE00072K

Gambu, Thobani G., Terranova, Umberto, Santos Carballal, David

, Petersen, Melissa A., Jones, Glenn, van Steen, Eric and de Leeuw, Nora H.

2019. Thermal properties and segregation behavior of Pt Nanowires modified with Au, Ag, and Pd Atoms: a classical molecular dynamics study. Journal of Physical Chemistry C 123 (33) , -. 10.1021/acs.jpcc.9b02730

Gao, Sisi, Liu, Huanting, de Crécy-Lagard, Valérie, Zhu, Wen, Richards, Nigel G. J.

and Naismith, James H. 2019. PMP-diketopiperazine adducts form at the active site of a PLP dependent enzyme involved in formycin biosynthesis. Chemical Communications 55 (96) , pp. 14502-14505. 10.1039/C9CC06975E

García, Tomás, López, José M., Solsona, Benjamín, Sanchis, Rut, Willock, David J.

, Davies, Thomas E., Lu, Li, He, Qian

, Kiely, Christopher J.

and Taylor, Stuart H.

2019. The key role of nanocasting in gold-based Fe2 O3 nanocasted catalysts for oxygen activation at the metal-support interface. ChemCatChem 11 (7) , pp. 1915-1927. 10.1002/cctc.201900210

Garcia-Meseguer, Rafael and Carpenter, Barry K.

2019. Re-evaluating the transition state for reactions in solution. European Journal of Organic Chemistry 2019 (2-3) , pp. 254-266. 10.1002/ejoc.201800841

Garcia-Mesguer, R., Carpenter, B.K.

and Wiggins, S. 2019. The influence of the solvent's mass on the location of the dividing surface for a model Hamiltonian. Chemical Physics Letters: X , 100030. 10.1016/j.cpletx.2019.100030

Gazis, Theodore A., Dasgupta, Ayan, Hill, Michael S., Rawson, Jeremy M., Wirth, Thomas

and Melen, Rebecca L.

2019. Reactions of hydrazones and hydrazides with Lewis acidic boranes. Dalton Transactions (33) , pp. 12391-12395. 10.1039/C9DT01359H

Gionco, Chiara, Hernández, Simelys, Castellino, Micaela, Gadhi, Tanveer Ahmed, Muñoz-Tabares, José Alejandro, Cerrato, Erik, Tagliaferro, Alberto, Russo, Nunzio and Paganini, Maria Cristina 2019. Synthesis and characterization of Ce and Er doped ZrO2 nanoparticles as solar light driven photocatalysts. Journal of Alloys and Compounds 775 , pp. 896-904. 10.1016/j.jallcom.2018.10.046

Gonçalves, Nuno P.F., Paganini, Maria Cristina, Armillotta, Paolo, Cerrato, Erik and Calza, Paola 2019. The effect of cobalt doping on the efficiency of semiconductor oxides in the photocatalytic water remediation. Journal of Environmental Chemical Engineering 7 (6) , 103475. 10.1016/j.jece.2019.103475

Gonzaga de Oliveira, Luciana, Sigrist, Renata, Sachetto Paulo, Bruno, Samborskyy, Markyian and Stajich, Jason E. 2019. Whole-genome sequence of the endophytic Streptomyces sp. strain CBMAI 2042, isolated from Citrus sinensis. Microbiology Resource Announcements 8 (2) , e01426-18. 10.1128/MRA.01426-18

Gonzalez Requena, Victor 2019. A combinatorial toolbox to explore the usage of sesquiterpene synthases: structure - function studies, substrate promiscuity and directed evolution. PhD Thesis, Cardiff University.

Item availability restricted.

Grazziotin-Soares, Renata, Nekoofar, Mohammad, Davies, Thomas, Hübler, Roberto, Meraji, Naghmeh and Dummer, Paul

2019. Crystalline phases involved in the hydration of calcium silicate-based cements: Semi-quantitative Rietveld X-ray diffraction analysis. Australian Endodontic Journal 45 (1) , pp. 26-32. 10.1111/aej.12226

Greer, Adam J., Taylor, S. F. Rebecca, Daly, Helen, Quesne, Matthew, Catlow, Charles Richard A.

, Jacquemin, Johan and Hardacre, Christopher 2019. Investigating the effect of NO on the capture of CO2 using superbase ionic liquids for flue gas applications. ACS Sustainable Chemistry and Engineering 7 (3) , pp. 3567-3574. 10.1021/acssuschemeng.8b05870

Gritsenko, Oleg V., Wang, Jian and Knowles, Peter J.

2019. Symmetry dependence and universality of practical algebraic functionals in density-matrix-functional theory. Physical Review A 99 (4) , -. 10.1103/PhysRevA.99.042516

Groves, Lara M., Williams, Catrin F.

, Hayes, Anthony J., Ward, Benjamin D.

, Isaacs, Marc D., Symonds, Nadine O., Lloyd, David

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

2019. Fluorescent functionalised naphthalimides and their Au(i)–NHC complexes for potential use in cellular bioimaging. Dalton Transactions 48 (5) , pp. 1599-1612. 10.1039/C8DT04069A

Gu, Q., Fang, W.-H., Wischert, R., Zhou, W-J., Michel, C. and Pera-Titus, M. 2019. AuCu/CeO2 bimetallic catalysts for the selective oxidation of fatty alcohol ethoxylates to alkyl ether carboxylic acids. Journal of Catalysis 380 , pp. 132-144. 10.1016/j.jcat.2019.10.017

Guadix Montero, Susana 2019. Catalytic conversion of biomass. PhD Thesis, Cardiff University.

Item availability restricted.

H

Hamilton, Hugh B., King, Ashley M., Sparkes, Hazel A., Pridmore, Natalie E. and Wass, Duncan

2019. Zirconium−nitrogen intermolecular frustrated Lewis pairs. Inorganic Chemistry 58 (9) , pp. 6399-6409. 10.1021/acs.inorgchem.9b00569

Han, Jiaying, Permentier, Hjalmar, Bischoff, Rainer, Groothuis, Geny, Casini, Angela

and Horvatovich, Péter 2019. Imaging of protein distribution in tissues using mass spectrometry: An interdisciplinary challenge. Trends in Analytical Chemistry 112 , pp. 13-28. 10.1016/j.trac.2018.12.016

Hare, Stephanie R., Bratholm, Lars A., Glowacki, David R. and Carpenter, Barry K.

2019. Low dimensional representations along intrinsic reaction coordinates and molecular dynamics trajectories using interatomic distance matrices. Chemical Science 10 (43) , pp. 9954-9968. 10.1039/C9SC02742D

Hasnain, S. Samar and Catlow, C. Richard A.

2019. Synchrotron science in the UK: NINA, the SRS and Diamond. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 377 (2147) , 20190147. 10.1098/rsta.2019.0147

Hassanain, Hawazen, Davies, E. Stephen, Lewis, William, Kays, Deborah L.

and Champness, Neil R. 2019. Structural characterization and optical properties of two copper(i)-iodide BODIPY coordination polymers. CrystEngComm 21 (31) , pp. 4551-4556. 10.1039/C9CE00845D

Hassemer, Marla J., Borges, Miguel, Withall, David M., Pickett, John

, Laumann, Raul A., Birkett, Michael A. and Blassioli-Moraes, Maria C. 2019. Development of pull and push–pull systems for management of lesser mealworm, Alphitobius diaperinus, in poultry houses using alarm and aggregation pheromones. Pest management Science 75 (4) , pp. 1107-1114. 10.1002/ps.5225

Hatcher, Lauren E.

, Skelton, Jonathan M., Warren, Mark R and Raithby, Paul R. 2019. Photocrystallographic studies on transition metal nitrito metastable linkage isomers: manipulating the metastable state. Accounts of Chemical Research 52 (4) 10.1021/acs.accounts.9b00018

He, Chi, Cheng, Jie, Zhang, Xin, Douthwaite, Mark, Pattisson, Samuel and Hao, Zhengping 2019. Recent advances in the catalytic oxidation of volatile organic compounds: a review based on pollutant sorts and sources. Chemical Reviews 119 (7) , pp. 4471-4568. 10.1021/acs.chemrev.8b00408

Hellier, Pip 2019. Segregation and reactivity in bi-cationic oxide catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Hellier, Pip, Wells, Peter P and Bowker, Michael

2019. Methanol oxidation over shell-core MOx/Fe2O3 (M = Mo, V, Nb) catalysts. Chinese Journal of Catalysis 40 (11) , pp. 1686-1692. 10.1016/S1872-2067(19)63350-4

Hernandez Tamargo, Carlos, O'Malley, Alexander, Silverwood, Ian P. and de Leeuw, Nora H.

2019. Molecular behaviour of phenol in zeolite Beta catalysts as a function of acid site presence: a quasielastic neutron scattering and molecular dynamics simulation study. Catalysis Science and Technology 9 (23) , pp. 6700-6713. 10.1039/C9CY01548E

Hernandez Tamargo, Carlos, Roldan Martinez, Alberto

and de Leeuw, Nora H.

2019. Tautomerization of phenol at the external lewis acid sites of scandium-, iron- and gallium-substituted zeolite MFI. Journal of Physical Chemistry C 123 (13) , 7604. 10.1021/acs.jpcc.8b02455

Hill, Michael S., Mahon, Mary F., Wilson, Andrew S. S., Dinoi, Chiara, Maron, Laurent and Richards, Emma

2019. Reduction of 1,3,5,7-cyclooctatetraene by a molecular calcium hydride: an even electron polarised insertion/deprotonation mechanism. Chemical Communications 55 (40) , pp. 5732-5735. 10.1039/C9CC02418B

Hill, Stephen, Sheikh, Sadiyah, Zhang, Qiaoyu, Sueiro Ballesteros, Lorena, Herman, Andrew, Davis, Sean A, Morgan, David John

, Berry, Monica, Benito-Alifonso, David and Galan, M. Carmen 2019. Selective photothermal killing of cancer cells using LED-activated nucleus targeting fluorescent carbon dots. Nanoscale Advances 1 (8) , pp. 2840-2846. 10.1039/C9NA00293F

Hirayama, Jun, Orlowski, Igor, Iqbal, Sarwat, Douthwaite, Mark, Ishikawa, Satoshi, Miedziak, Peter J., Bartley, Jonathan K.

, Edwards, Jennifer K.

, He, Qian

, Jenkins, Robert L., Murayama, Toru, Reece, Christian, Ueda, Wataru, Willock, David J.

and Hutchings, Graham J.

2019. The effects of dopants on the Cu-ZrO2 catalysed hydrogenation of levulinic acid. Journal of Physical Chemistry C 123 (13) , pp. 7879-7888. 10.1021/acs.jpcc.8b07108

Hirsch, Anna, Palmer, Benjamin A., Ramasubramaniam, Ashwin, Williams, P. Andrew, Harris, Kenneth D. M.

, Pokroy, Boaz, Weiner, Steve, Addadi, Lia, Leiserowitz, Leslie and Kronik, Leeor 2019. Structure and morphology of light-reflecting synthetic and biogenic polymorphs of isoxanthopterin: A comparison. Chemistry of Materials 31 (12) , pp. 4479-4489. 10.1021/acs.chemmater.9b01039

Hogarth, Graeme, Hollingsworth, Nathan, Islam, Husn, Bras, Wim, De Leeuw, Nora Henriette

, Roffey, Anna and Sankar, Gopinathan 2019. Fe(II) and Fe(III) dithiocarbamate complexes as single source precursors to nanoscale iron sulfides: A combined synthetic and in-situ XAS approach. Nanoscale Advances 1 (8) , pp. 2965-2978. 10.1039/C9NA00262F

Hokamp, Tobias and Wirth, Thomas

2019. Structurally defined α-Tetralol-Based chiral hypervalent iodine reagents. Journal of Organic Chemistry 84 (13) , pp. 8674-8682. 10.1021/acs.joc.9b01315

Howard, Ioli C., Hammond, Ceri

and Buchard, Antoine 2019. Polymer-supported metal catalysts for the heterogeneous polymerisation of lactones. Polymer Chemistry 10 (43) , pp. 5894-5904. 10.1039/C9PY01472A

Howe, Alexander G. R., Maunder, Rhodri, Morgan, David J.

and Edwards, Jennifer K.

2019. Rapid microwave-assisted polyol synthesis of TiO2-supported ruthenium catalysts for levulinic acid hydrogenation. Catalysts 9 (9) , 748. 10.3390/catal9090748

Hughes, Colan E., Walkley, Brant, Gardner, Laura J., Walling, Samuel A., Bernal, Susan A., Iuga, Dinu, Provis, John L. and Harris, Kenneth D.M.

2019. Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement. Solid State Nuclear Magnetic Resonance 99 , -. 10.1016/j.ssnmr.2019.01.003

Humby, Jack D., Benson, Oguarabau, Smith, Gemma L., Argent, Stephen P., da Silva, Ivan, Cheng, Yongqiang, Rudic, Svemir, Manuel, Pascal, Frogley, Mark D., Cinque, Gianfelice, Saunders, Lucy K., Vitorica-Yrzebal, Inigo, Whitehead, George F. S., Easun, Timothy L.

, Lewis, William, Blake, Alexander J., Ramirez-Cuesta, Anibal J., Yang, Sihai and Schroder, Martin 2019. Host-guest selectivity in a series of isoreticular metal-organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions. Chemical Science 10 (4) , pp. 1098-1106. 10.1039/C8SC03622E

Hutchings, Graham John

and Lewis, Richard 2019. A review of recent advances in the direct synthesis of H2O2. ChemCatChem 11 (1) , pp. 298-308. 10.1002/cctc.201801435

I

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

J

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.

and Bowker, Michael

2019. Carbidisation of Pd nanoparticles by ethene decomposition, with methane production. ChemCatChem 11 (17) , pp. 4334-4339. 10.1002/cctc.201900795

Jossou, Ericmoore, Malakkal, Linu, Dzade, Nelson

, Claisse, Antoine, Szpunar, Barbara and Szpunar, Jerzy 2019. DFT + U study of the adsorption and dissociation of water on clean, defective, and oxygen-covered U3Si2{001}, {110}, and {111} surfaces. Journal of Physical Chemistry C 123 (32) , pp. 19453-19467. 10.1021/acs.jpcc.9b03076

Jue Bae, Youn, Krzyaniak, Matthew D., Majewski, Marek B., Desroches, Maude, Morin, Jean François, Wu, Yi Lin

and Wasielewski, Michael R. 2019. Competition between singlet fission and spin-orbit-induced intersystem crossing in anthanthrene and anthanthrone derivatives. ChemPlusChem 84 (9) , pp. 1432-1438. 10.1002/cplu.201900410

K

Kabalan, Lara, Zagho, Moustafa M., Al-Marri, Mohammed J. and Khader, Mahmoud M. 2019. Experimental and theoretical studies on the mechanical and structural changes imposed by the variation of clay loading on poly(vinyl alcohol)/cloisite® 93A nanocomposites. Journal of Vinyl and Additive Technology 25 (2) , pp. 172-181. 10.1002/vnl.21650

Kalvaitis, Mindaugas E., Johnson, Luke A.

, Mart, Robert J.

, Rizkallah, Pierre

and Allemann, Rudolf K.

2019. A noncanonical chromophore reveals structural rearrangements of the light-oxygen-voltage domain upon photoactivation. Biochemistry 58 (22) , pp. 2608-2616. 10.1021/acs.biochem.9b00255

Kalvaitis, Mindaugas Edvardas 2019. Mechanistic and structural studies of Light-Oxygen- Voltage (LOV) domain proteins. PhD Thesis, Cardiff University.

Item availability restricted.

Kaowphong, Sulawan, Choklap, Wimonnat, Chachvalvutikul, Auttaphon and Chandet, Nopakarn 2019. A novel CuInS2/m-BiVO4 p-n heterojunction photocatalyst with enhanced visible-light photocatalytic activity. Colloids and Surfaces A: Physicochemical and Engineering Aspects 579 , 123639. 10.1016/j.colsurfa.2019.123639

Khan, Zeyaur R., Midega, Charles A. O., Pittchar, Jimmy and Pickett, John A.

2019. Exploiting chemical ecology for developing novel integrated pest management strategies for Africa. Presented at: Indian Ecological Society International Conference 2016, Jammu, India, 18-20 Feb 2016. Published in: Peshin, Rajinder and Dhawan, Ashok eds. Natural Resource Management: Ecological Perspectives. Sustainability in Plant and Crop Protection. Sustainability in Plant and Crop Protection , vol.11354 Cham, Switzerland: Springer Nature Switzerland, pp. 165-183. 10.1007/978-3-319-99768-1_10

Khatoon, Saira, Vgenopoulou, Aggeliki, Naseer, Muhammad Moazzam, Shirinfar, Bahareh, Kariuki, Benson M.

, Dege, Necmi and Ahmed, Nisar

2019. Easy access to crystalline indolines via hydrogen bond transfer. Journal of Heterocyclic Chemistry 56 (4) , pp. 1388-1392. 10.1002/jhet.3516

Kim, Jin Hyun, Hansora, Dharmesh, Sharma, Pankaj

, Jang, Ji-Wook and Lee, Jae Sung 2019. Toward practical solar hydrogen production – an artificial photosynthetic leaf-to-farm challenge. Chemical Society Reviews 48 (7) , pp. 1908-1971. 10.1039/C8CS00699G

Kim, Min-Zy, Sharma, Pankaj

, Kim, YoungJin, Alam, Syed Fakhar, Lee, Hye Ryeon and Cho, Churl Hee 2019. One-step template-free hydrothermal synthesis of partially Sr-incorporated hierarchical K-CHA zeolite microspheres. Microporous and Mesoporous Materials 286 , pp. 65-76. 10.1016/j.micromeso.2019.05.007

King, Helen E., Salisbury, Alistair, Huijsmans, Jasper, Dzade, Nelson Y.

and Plümper, Oliver 2019. Influence of inorganic solution components on lithium carbonate crystal growth. Crystal Growth and Design 19 (12) , pp. 6994-7006. 10.1021/acs.cgd.9b00782

Knight, David W. 2019. Ring formation by 5-endo-dig Cyclization. Advances in Heterocyclic Chemistry, Vol. 127. Academic Press, pp. 1-100. (10.1016/bs.aihch.2018.09.004)

Ko, Myohwa, Pham, Le Thanh Mai, Sa, Young Jin, Woo, Jinwoo, Nguyen, Trang Vu Thien, Kim, Jae Hyung, Oh, Dongrak, Sharma, Pankaj

, Ryu, Jungki, Shin, Tae Joo, Joo, Sang Hoon, Kim, Yong Hwan and Jang, Ji-Wook 2019. Unassisted solar lignin valorisation using a compartmented photo-electro-biochemical cell. Nature Communications 10 (1) , 5123. 10.1038/s41467-019-13022-7

Koskamp, Janou A., Ruiz-Hernandez, Sergio E., Di Tommaso, Devis, Elena, Alin Marin, De Leeuw, Nora H.

and Wolthers, Mariette 2019. Reconsidering calcium dehydration as the rate-determining step in calcium mineral growth. Journal of Physical Chemistry C 123 (44) , pp. 26895-26903. 10.1021/acs.jpcc.9b06403

Kreplin, David A., Knowles, Peter J.

and Werner, Hans-Joachim 2019. Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. Journal of Chemical Physics 150 (19) , 194106. 10.1063/1.5094644

Kumar, M., Verma, S., Mishra, P.K.

and Verma, A.K. 2019. Cu(II)-mediated ortho-C-H amination of arenes with free amines. Journal of Organic Chemistry 84 (12) , pp. 8067-8079. 10.1021/acs.joc.9b00931

Kumar, Manoj, Verma, Shalini, Kumar, Anubhav, Mishra, Pawan K.

, Ramabhadran, Raghunath O., Banerjee, Shibdas and Verma, Akjilesh K. 2019. Mechanistic insights of Cu(II)-mediated ortho-C--H amination of arenes by capturing fleeting intermediates and theoretical calculations. Chemical Communications 55 (63) , pp. 9359-9362. 10.1039/C9CC04317A

L

Latham, Daniel E., Polidano, Kurt, Williams, Jonathan M. J. and Morrill, Louis C.

2019. One-pot conversion of allylic alcohols to α-methyl ketones via iron-catalyzed isomerization-methylation. Organic Letters 21 (19) , pp. 7914-7918. 10.1021/acs.orglett.9b02900

Laudadio, Gabriele, Barmpoutsis, Efstathios, Schotten, Christiane, Struik, Lisa, Govaerts, Sebastian, Browne, Duncan L.

and Noël, Timothy 2019. Sulfonamide synthesis through electrochemical oxidative coupling of amines and thiols. Journal of the American Chemical Society 141 (14) , pp. 5664-5668. 10.1021/jacs.9b02266

Lemos, Bárbara C., Gilles, Vítor, Gonçalves, Gustavo R., de Castro, Eustáquio Vinícius R., Delarmelina, Maicon

, Carneiro, José W. de M. and Greco, Sandro J. 2019. Synthesis, structure-activity relationship and evaluation of new non-polymeric chemical additives based on naphthoquinone derivatives as wax precipitation inhibitors and pour point depressants to petroleum. Fuel 220 , pp. 200-209. 10.1016/j.fuel.2018.01.121

Lewis, Richard, Ueura, Kenji, Fukuta, Yulimasa, Freakley, Simon, Kang, Liqun, Wang, Ryan, He, Qian

, Edwards, Jennifer

, Morgan, David

, Yasushi, Yamamoto and Hutchings, Graham John

2019. The direct synthesis of H2O2 using TS-1 supported catalysts. ChemCatChem 11 (6) , pp. 1673-1680. 10.1002/cctc.201900100

Lewis, Richard J., Bara Estaun, Alejandro, Agarwal, Nishtha, Freakley, Simon J., Morgan, David J.

and Hutchings, Graham J.

2019. The direct synthesis of H2O2 and selective oxidation of methane to methanol using HZSM-5 supported AuPd catalysts. Catalysis Letters 149 (11) , pp. 3066-3075. 10.1007/s10562-019-02876-7

Li, Xiaoliang, Feng, Jiangjiang, Sun, Jia, Wang, Zhe and Zhao, Wei 2019. Solvent-free catalytic oxidation of benzyl alcohol over Au-Pd bimetal deposited on TiO2: comparison of Rutile, Brookite, and Anatase. Nanoscale Research Letters 14 (1) , -. 10.1186/s11671-019-3211-8

Li, J., Muller, E., Pera-Titus, M., Jérôme, F. and De Oliveira Vigier, K. 2019. Synthesis of functionalized tetrahydrofuran derivatives from 2,5-dimethylfuran through cascade reactions. Green Chemistry 21 (10) , pp. 2601-2609. 10.1039/C9GC01060B

Li, Gang, Wang, Shuaihua, Yang, Shufan, Liu, Guangfeng, Hao, Pin, Zheng, Yusen, Long, Guankui, Li, Dandan, Zhang, Yu, Yang, Wenbin, Xu, Liang, Gao, Weibo, Zhang, Qichun, Cui, Guanwei and Tang, Bo 2019. Synthesis, photophysical properties and two-photon absorption study of tetraazachrysene-based N-heteroacenes. Chemistry - An Asian Journal 14 (10) , pp. 1807-1813. 10.1002/asia.201801656

Li, Gang, Yang, Shufan, Liu, Tao, Li, Jiewei, Yang, Wenbin, Luo, Zhenghui, Yan, Cenqi, Li, Dandan, Wang, Xinyu, Cui, Guanwei, Yang, Tao, Xu, Liang, Zhan, Shun-Ze, Huo, Lijun, Yan, He and Tang, Bo 2019. Functionalizing tetraphenylpyrazine with perylene diimides (PDIs) as high-performance nonfullerene acceptors. Journal of Materials Chemistry. C 7 (46) , pp. 14563-14570. 10.1039/C9TC05643B

Li, X., Iqbal, M.A., Xu, M., Wang, Y.-C., Wang, H., Ji, M., Wan, X., Slater, T.J.A.

, Liu, J., Liu, J., Rong, H., Chen, W., Kershaw, S.V., Haigh, S.J., Rogach, A.L., Xie, L. and Zhang, J. 2019. Au@HgxCd1-xTe core@shell nanorods by sequential aqueous cation exchange for near-infrared photodetectors. Nano Energy 57 , pp. 57-65. 10.1016/j.nanoen.2018.12.030

Li, Z., Slater, T.J.A.

, Ma, X., Yu, Y., Young, R.J. and Burnett, T.L. 2019. The taxonomy of graphite nanoplatelets and the influence of nanocomposite processing. Carbon 142 , pp. 99-106. 10.1016/j.carbon.2018.10.043

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

2019. Silent catalytic promiscuity in the high-fidelity terpene cyclase δ-cadinene synthase. Organic & Biomolecular Chemistry 17 (5) , pp. 1206-1214. 10.1039/C8OB02821D

Lopes Ferreira, Lorena, Sarria, André Lucio Franceschini, de Oliveira Filho, Jaires Gomes, de Silva, Fernanda de Oliveira, Powers, Stephen J., Caulfield, John C., Pickett, John A.

, Birkett, Michael A. and Borges, Lígia Miranda Ferreira 2019. Identification of a non-host semiochemical from tick-resistant donkeys (Equus asinus) against Amblyomma sculptum ticks. Ticks and Tick-borne Diseases 10 (3) , pp. 621-627. 10.1016/j.ttbdis.2019.02.006

Luckham, Stephen L. J., Folli, Andrea

, Platts, James A.

, Richards, Emma

and Murphy, Damien M.

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

M

Macino, Margherita, Barnes, Alexandra J., Althahban, Sultan M., Qu, Ruiyang, Gibson, Emma K., Morgan, David J

, Freakley, Simon J., Dimitratos, Nikolaos, Kiely, Christopher J.

, Gao, Xiang, Beale, Andrew M., Bethell, Donald, He, Qian

, Meenakshisundaram, Sankar

and Hutchings, Graham J.

2019. Tuning of catalytic sites in Pt/TiO2 catalysts for chemoselective hydrogenation of 3-nitrostyrene. Nature Catalysis 2 , pp. 873-881. 10.1038/s41929-019-0334-3

MacIno, Margherita 2019. Tuning the activity of supported metal catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Madura, Florian, Rizkallah, Pierre J.

, Legut, Mateusz, Holland, Christopher J., Fuller, Anna, Bulek, Anna, Schauenburg, Andrea J., Trimby, Andrew, Hopkins, Jade R., Wells, Stephen A., Godkin, Andrew

, Miles, John J., Sami, Malkit, Li, Yi, Liddy, Nathaniel, Jakobsen, Bent K., Loveridge, E. Joel, Cole, David K.

and Sewell, Andrew K.

2019. TCR-induced alteration of primary MHC peptide anchor residue. European Journal of Immunology 49 (7) , pp. 1052-1066. 10.1002/eji.201948085

Mandal, Aritra, Schultz, Jonathan D., Wu, Yi-Lin

, Coleman, Adam F., Young, Ryan M. and Wasielewski, Michael R. 2019. Transient two-dimensional electronic spectroscopy: coherent dynamics at arbitrary times along the reaction coordinate. Journal of Physical Chemistry Letters 10 , pp. 3509-3515. 10.1021/acs.jpclett.9b00826

Mandal, Subrata, Nanavati, Sachin P.

, Willock, David J.

and Ananthakrishnan, Rajakumar 2019. Photoactive Ag(I)-based coordination polymer as a potential semiconductor for photocatalytic water splitting and environmental remediation: experimental and theoretical approach. Journal of Physical Chemistry C 123 (39) , pp. 23940-23950. 10.1021/acs.jpcc.9b04957

Manikandan, V., Tudorache, Florin, Petrila, Iulian, Mane, R.S., Kuncser, V., Vasile, Bogdan, Morgan, David

, Vigneselvan, S. and Mirzaei, Ali 2019. Fabrication and characterization of Ru-doped LiCuFe2O4 nanoparticles and their capacitive and resistive humidity sensor applications. Journal of Magnetism and Magnetic Materials 474 , pp. 563-569. 10.1016/j.jmmm.2018.11.072

Mannu, Alberto, Vlahopoulou, Gina, Urgeghe, Paolo, Ferro, Monica, Del Caro, Alessandra, Taras, Alessandro, Garroni, Sebastiano, Rourke, Jonathan P.

, Cabizza, Roberto and Petretto, Giacomo L. 2019. Variation of the chemical composition of waste cooking oils upon bentonite filtration. Resources 8 (2) , 108. 10.3390/resources8020108

Martins, Guilherme M., Meirinho, Anne G., Ahmed, Nisar

, Braga, Antonio L. and Mendes, Samuel R. 2019. Recent advances in electrochemical chalcogen (S/Se)‐functionalization of organic molecules. ChemElectroChem 6 (24) , pp. 5928-5940. 10.1002/celc.201901525

Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas and Ahmed, Nisar

2019. A green approach: vicinal oxidative electrochemical alkene difunctionalization [Cover Profile]. ChemElectroChem 6 (5) , p. 1254. 10.1002/celc.201801892

Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas and Ahmed, Nisar

2019. A green approach: Vicinal oxidative electrochemical alkene difunctionalization [Mini review]. ChemElectroChem 6 (5) , pp. 1300-1315. 10.1002/celc.201801466

Martins, Guilherme M., Shirinfar, Bahareh, Hardwick, Tomas, Murtaza, Ayesha and Ahmed, Nisar

2019. Organic electrosynthesis: electrochemical alkyne functionalization. Catalysis Science and Technology 9 (21) , pp. 5868-5881. 10.1039/C9CY01312A

Mazzei, Luca, Wenzel, Margot N.

, Cianci, Michele, Palombo, Marta, Casini, Angela

and Ciurli, Stefano 2019. Inhibition mechanism of urease by Au(III) compounds unveiled by x-ray diffraction analysis. ACS Medicinal Chemistry Letters 10 (4) , pp. 564-570. 10.1021/acsmedchemlett.8b00585

McGuire, Jake, Miras, Haralampos N., Richards, Emma

and Sproules, Stephen 2019. Enabling single qubit addressability in a molecular semiconductor comprising gold-supported organic radicals. Chemical Science 10 (5) , pp. 1483-1491. 10.1039/C8SC04500C

McKeown, Paul, Román-Ramírez, Luis A., Bates, Samuel, Wood, Joseph and Jones, Matthew D. 2019. Zinc complexes for PLA formation and chemical recycling: Towards a circular economy. ChemSusChem 12 (24) , pp. 5233-5238. 10.1002/cssc.201902755

Mehdipour, Hamid, Smith, Brendan A., Rezakhani, Ali T., Tafreshi, Saeedeh S., de Leeuw, Nora H.

, Prezhdo, Oleg V., Moshfegh, Alireza Z. and Akimov, Alexey V. 2019. Dependence of electron transfer dynamics on the number of graphene layers in ?-stacked 2D materials: insights from ab initio nonadiabatic molecular dynamics. Physical Chemistry Chemical Physics 10.1039/C9CP04100A

Melen, Rebecca L.

2019. Frontiers in molecular p-block chemistry: From structure to reactivity. Science 363 (6426) , pp. 479-484. 10.1126/science.aau5105

Mendhekar, Kishor L., Pradhan, Tapas R.

, Mallampudi, N. Arjunreddy and Mohapatra, Debendra K. 2019. Neighboring carbonyl group assisted hydration of unsymmetrical aryl alkynes overriding regular selectivity. European Journal of Organic Chemistry 2019 (33) , pp. 5787-5797. 10.1002/ejoc.201900941

Menkah, Elliot S., Dzade, Nelson Y.

, Tia, Richard, Adei, Evans and de Leeuw, Nora H.

2019. Hydrazine adsorption on perfect and defective fcc nickel (100), (110) and (111) surfaces: A dispersion corrected DFT-D2 study. Applied Surface Science 480 , pp. 1014-1024. 10.1016/j.apsusc.2019.02.128

Mezoughi, Aysha 2019. The synthesis and evaluation of novel soluble lytic transglycosylase inhibitors. PhD Thesis, Cardiff University.

Item availability restricted.

Michereff, Mirian F. F., Magalhães, Diego M., Hassemer, Marla J., Laumann, Raúl A., Zhou, Jing-Jiang, Ribeiro, Paulo E. de A., Viana, Paulo A., Guimarães, Paulo E. de O., Schimmelpfeng, Pedro H. C., Borges, Miguel, Pickett, John

, Birkett, Michael A. and Blassioli-Moraes, Maria Carolina 2019. Variability in herbivore-induced defence signalling across different maize genotypes impacts significantly on natural enemy foraging behaviour. Journal of Pest Science 92 (2) , pp. 723-736. 10.1007/s10340-018-1033-6

Middelkoop, V., Slater, T.

, Florea, M., Nea?u, F., Danaci, S., Onyenkeadi, V., Boonen, K., Saha, B., Baragau, I.-A. and Kellici, S. 2019. Next frontiers in cleaner synthesis: 3D printed graphene-supported CeZrLa mixed-oxide nanocatalyst for CO2 utilisation and direct propylene carbonate production. Journal of Cleaner Production 214 , pp. 606-614. 10.1016/j.jclepro.2018.12.274

Miletic, Tanja, Biot, Nicolas, Demitri, Nicola, Brancato, Giuseppe, Kariuki, Benson M.

and Bonifazi, Davide

2019. Leveraging fluorescent emission to unitary yield: dimerization of polycyclic aromatic hydrocarbons. Helvetica Chimica Acta 102 (3) , e1900004. 10.1002/hlca.201900004

Minova, Ivalina B., Matam, Santhosh K., Greenaway, Alex, Catlow, C. Richard A.

, Frogley, Mark D., Cinque, Gianfelice, Wright, Paul A. and Howe, Russell F. 2019. Elementary steps in the formation of hydrocarbons from surface methoxy groups in HZSM-5 seen by synchrotron infrared microspectroscopy. ACS Catalysis 9 (7) , pp. 6564-6570. 10.1021/acscatal.9b01820

Mishra, P. K.

, Verma, S., Kumar, M., Kumar, A. and Verma, A. K. 2019. Harnessing the reactivity of ortho-formyl-arylketones: base-promoted regiospecific synthesis of functionalized isoquinolines. Chemical Communications 55 (57) , pp. 8278-8281. 10.1039/c9cc03689j

Mitchell, Claire, Terranova, Umberto, AlShibane, Ihfaf, Morgan, David John

, Davies, Thomas, He, Qian

, Hargreaves, Justin, Meenakshisundaram, Sankar

and De Leeuw, Nora Henriette

2019. Liquid phase hydrogenation of CO2 to formate using palladium and ruthenium nanoparticles supported on molybdenum carbide. New Journal of Chemistry 43 , pp. 13985-13997. 10.1039/C9NJ02114K

Molt, Robert W., Pellegrini, Erika and Jin, Yi

2019. A GAP-GTPase-GDP-Pi intermediate crystal structure analyzed by DFT shows GTP hydrolysis involves serial proton transfers. Chemistry - A European Journal 25 (36) , pp. 8484-8488. 10.1002/chem.201901627

Morgan, David J.

2019. Imaging XPS for industrial applications. Journal of Electron Spectroscopy and Related Phenomena 231 , pp. 109-117. 10.1016/j.elspec.2017.12.008

Motta, Davide 2019. Ir-based nanoparticles for catalytic hydrogen generation using chemical hydrogen storage compounds. PhD Thesis, Cardiff University.

Item availability restricted.

Müller, Katharina, Foerstendorf, Harald, Steudtner, Robin, Tsushima, Satoru, Kumke, Michael U., Lefèvre, Grégory, Rothe, Jörg, Mason, Harris, Szabó, Zoltán, Yang, Ping, Adam, Christian K. R., André, Rémi, Brennenstuhl, Katlen, Chiorescu, Ion, Cho, Herman M., Creff, Gaëlle, Coppin, Frédéric, Dardenne, Kathy, Den Auwer, Christophe, Drobot, Björn, Eidner, Sascha, Hess, Nancy J., Kaden, Peter, Kremleva, Alena, Kretzschmar, Jerome, Krüger, Sven, Platts, James A.

, Panak, Petra J., Polly, Robert, Powell, Brian A., Rabung, Thomas, Redon, Roland, Reiller, Pascal E., Rösch, Notker, Rossberg, André, Scheinost, Andreas C., Schimmelpfennig, Bernd, Schreckenbach, Georg, Skerencak-Frech, Andrej, Sladkov, Vladimir, Solari, Pier Lorenzo, Wang, Zheming, Washton, Nancy M. and Zhang, Xiaobin 2019. Interdisciplinary round-robin test on molecular spectroscopy of the U(VI) acetate system. ACS Omega 4 (5) , pp. 8167-8177. 10.1021/acsomega.9b00164

Murage, A.W., Pittchar, J.O., Midega, C.A.O., Onyango, C.O., Pickett, J.A.

and Khan, Z.R. 2019. Gender appropriateness of field days in knowledge generation and adoption of push-pull technology in eastern Africa. East African Agricultural and Forestry Journal 83 (4) , pp. 289-306. 10.1080/00128325.2019.1644145

N

Naqvi, Sayed Tayyab Raza, Shirinfar, Bahareh, Hussain, Dilshad, Majeed, Saadat, Ashiq, Muhammad Naeem, Aslam, Yasin and Ahmed, Nisar

2019. Electrochemical sensing of ascorbic acid, hydrogen peroxide and glucose by bimetallic (Fe, Ni)-CNTs composite modified electrode. Electroanalysis 31 (5) , pp. 851-857. 10.1002/elan.201800768

Nastase, Stefan Adrian F. 2019. Computational study on the early stages of the Methanol to Hydrocarbons process. PhD Thesis, Cardiff University.

Item availability restricted.

Nastase, Stefan Adrian, O'Malley, A. J., Catlow, Charles . R. A.

and Logsdail, Andrew J.

2019. Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5. Physical Chemistry Chemical Physics 21 (5) , pp. 2639-2650. 10.1039/C8CP06736H

Nicolau Palou, Guillermo 2019. Catalytic upgrade of ethanol to n-butanol by Guerbet chemistry. PhD Thesis, Cardiff University.

Item availability restricted.

Nicolau, Guillermo, Tarantino, Giulia and Hammond, Ceri

2019. Acceptorless alcohol dehydrogenation catalysed by Pd/C. ChemSusChem 12 (22) , pp. 4953-4961. 10.1002/cssc.201901313

Nieva De La Hidalga, Abraham

, Cazenave, Nicholas, Agosti, Donat, Wu, Zhengzhe, Dillen, Mathias and Nielsen, Lars H. 2019. Use of European open science cloud and national e-infrastructures for the long-term storage of digitised assets from natural history collections. Presented at: Biodiversity_Next 2019, Leiden, The Netherlands, 21-25 October 2019. Biodiversity Information Science and Standards. , vol.3 (e37164) Pensoft, 10.3897/biss.3.37164

Nieva De La Hidalga, Abraham

and Hardisty, Alex

2019. Making heterogeneous specimen data ‘FAIR’: Implementing a digital specimen repository. Presented at: Biodiversity_Next 2019, Leiden, The Netherlands, 21-25 October 2019. Biodiversity Information Science and Standards. , vol.3 https://biss.pensoft.net/: Pensoft, e37163. 10.3897/biss.3.37163

Nieva De La Hidalga, Abraham

, Owen, David

, Spasic, Irena

, Rosin, Paul

and Sun, Xianfang

2019. Use of semantic segmentation for increasing the throughput of digitisation workflows for natural history collections. Presented at: Biodiversity_Next 2019, Leiden, The Netherlands, 21-25 October 2019. Biodiversity Information Science and Standards. , vol.3 (e37161) Pensoft, 10.3897/biss.3.37161

Niu, Feng, Xie, Shaohua, Bahri, Mounib, Ersen, Ovidiu, Yan, Zhen, Kusema, Bright T., Pera-Titus, Marc, Khodakov, Andrei Y. and Ordomsky, Vitaly V. 2019. Catalyst deactivation for enhancement of selectivity in alcohols amination to primary amines. ACS Catalysis 9 (7) , pp. 5986-5997. 10.1021/acscatal.9b00864

Nodling, Alexander R., Spear, Luke A., Williams, Thomas L., Luk, Louis Y.P.

and Tsai, Yu-Hsuan

2019. Using genetically incorporated unnatural amino acids to control protein functions in mammalian cells. Essays in Biochemistry 63 (2) , pp. 237-266. 10.1042/EBC20180042

Nowicka, Ewa

, Althahban, Sultan, Leah, Tom D., Shaw, Greg, Morgan, David

, Kiely, Christopher J.

, Roldan Martinez, Alberto

and Hutchings, Graham J.

2019. Benzyl alcohol oxidation with Pd-Zn/TiO2: computational and experimental studies. Science and Technology of Advanced Materials 20 (1) , pp. 367-378. 10.1080/14686996.2019.1598237

Nuzzo, Stefano, van Leusen, Jan, Twamley, Brendan, Platts, James A.

, Kögerler, Paul and Baker, Robert J. 2019. Oxidation of uranium(IV) thiocyanate complexes: cation–cation interactions in mixed-valent uranium coordination chains. Dalton Transactions 48 (20) , pp. 6704-6708. 10.1039/C9DT01005J

Nyathi, Thulani M., Fischer, Nico, York, Andrew P. E., Morgan, David J.

, Hutchings, Graham J.

, Gibson, Emma K., Wells, Peter P., Catlow, C. Richard A.

and Claeys, Michael 2019. Impact of nanoparticle-support interactions in Co3O4/Al2O3 catalysts for the preferential oxidation of carbon monoxide. ACS Catalysis 9 (8) , pp. 7166-7178. 10.1021/acscatal.9b00685

O

Olsson, Emilia, Cottom, Jonathon, Aparicio-Anglès, Xavier and de Leeuw, Nora H.

2019. Computational study of the mixed B-site perovskite SmBxCo1-xO3-d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics 21 (18) , pp. 9407-9418. 10.1039/C9CP00995G

Orlowski, Igor, Douthwaite, Mark, Iqbal, Sarwat, Hayward, James S., Davies, Thomas E., Bartley, Jonathan K.

, Miedziak, Peter J., Hirayama, Jun, Morgan, David J.

, Willock, David J.

and Hutchings, Graham J.

2019. The hydrogenation of levulinic acid to γ-valerolactone over Cu-ZrO2 catalysts prepared by a pH-gradient methodology. Journal of Energy Chemistry 36 , pp. 15-24. 10.1016/j.jechem.2019.01.015

Orlowski, Igor 2019. From glucose to γ-valerolactone: development of novel catalytic methodologies. PhD Thesis, Cardiff University.

Item availability restricted.

Ou, Xiaoxia, Pilitsis, Fotios, Jiao, Yilai, Zhang, Yong, Xu, Shaojun, Jennings, Martin, Yang, Yi, Taylor, S.F. Rebecca, Garforth, Arthur, Zhang, Huiping, Hardacre, Christopher, Yan, Ying and Fan, Xiaolei 2019. Hierarchical Fe-ZSM-5/SiC foam catalyst as the foam bed catalytic reactor (FBCR) for catalytic wet peroxide oxidation (CWPO). Chemical Engineering Journal 362 , pp. 53-62. 10.1016/j.cej.2019.01.019

Oubaha, Hamid, Demitri, Nicola, Rault-Berthelot, Joëlle, Dubois, Philippe, Coulembier, Olivier and Bonifazi, Davide

2019. Photoactive boron-nitrogen-carbon hybrids: from azo-borazines to polymeric materials. Journal of Organic Chemistry 84 (14) , pp. 9101-9116. 10.1021/acs.joc.9b01046

Ould, Darren M. C., Tran, Thao T. P., Rawson, Jeremy M. and Melen, Rebecca L.

2019. Structure-property-reactivity studies on dithiaphospholes. Dalton Transactions 48 (45) , pp. 16922-16935. 10.1039/C9DT03577J

P

Pandharkar, Subhash, Rondiya, Sachin, Bhorde, Ajinkya, Nair, Shruthi, Aher, Rahul, Vairale, Priti, Waghmare, Ashish, Naik, Dhirsing, Waykar, Ravindra, Jadhav, Yogesh, Haram, Santosh, Ghosalya, Manoj Kumar, Gopinath, Chinnakonda, Prasad, Mohit and Jadkar, Sandesh 2019. Probing the effect of selenium substitution in kesterite-Cu2ZnSnS4 nanocrystals prepared by hot injection method. Journal of Materials Science: Materials in Electronics 30 (15) , 14781–14790. 10.1007/s10854-019-01851-7

Parker, Luke 2019. The catalytic decomposition of ammonia. PhD Thesis, Cardiff University.

Item availability restricted.

Parkes, Ronald John, Berlendis, Sabrina

, Roussel, Erwan G., Bahruji, Hasliza, Webster, Gordon

, Oldroyd, Anthony, Weightman, Andrew J.

, Bowker, Michael

, Davies, Philip R.

and Sass, Henrik

2019. Rock-crushing derived hydrogen directly supports a methanogenic community: significance for the deep biosphere. Environmental Microbiology Reports 11 (2) , pp. 165-172. 10.1111/1758-2229.12723

Parmar, Digvijaysinh K., Butani, Pinal M., Thumar, Niraj J., Jasani, Pinal M., Padaliya, Ravi V., Sandhiya, Paba R., Nakum, Haresh D., Khan, Md. Nasim and Makwana, Dipak 2019. Oxy-functionalization of olefins with neat and heterogenized binuclear V(IV)O and Fe(II) complexes: effect of steric hindrance on product selectivity and output in homogeneous and heterogeneous phase. Molecular Catalysis 474 , 110424. 10.1016/j.mcat.2019.110424

Patel, Sanjay G., Sayers, Edward J.

, He, Lin, Narayan, Rohan, Williams, Thomas L., Mills, Emily M., Allemann, Rudolf K.

, Luk, Louis Y. P.

, Jones, Arwyn T.

and Tsai, Yu-Hsuan

2019. Cell-penetrating peptide sequence and modification dependent uptake and subcellular distribution of green florescent protein in different cell lines. Scientific Reports 9 (1) , -. 10.1038/s41598-019-42456-8

Patra, Tuhin, Mukherjee, Satobhisha, Ma, Jiajia, Strieth-Kalthoff, Felix and Glorius, Frank 2019. Visible-light-photosensitized aryl and alkyl decarboxylative functionalization reactions. Angewandte Chemie International Edition 58 (31) , pp. 10514-10520. 10.1002/anie.201904671

Paulo, Bruno S., Sigrist, Renata, Angolini, Célio F. F. and Gonzaga De Oliveira, Luciana 2019. Cover picture: new cyclodepsipeptide derivatives revealed by genome mining and molecular networking (27/2019). ChemistrySelect 4 (27) , p. 7784. 10.1002/slct.201902252

Paulo, Bruno S., Sigrist, Renata, Angolini, Célio F. F. and Gonzaga De Oliveira, Luciana 2019. New cyclodepsipeptide derivatives revealed by genome mining and molecular networking. ChemistrySelect 4 (27) , pp. 7785-7790. 10.1002/slct.201900922

Pavliuk, Mariia V., Gutiérrez Álvarez, Sol, Hattori, Yocefu, Messing, Maria E., Czapla-Masztafiak, Joanna, Szlachetko, Jakub, Silva, Jose L., Araujo, Carlos Moyses, Fernandes, Daniel L. A., Lu, Li, Kiely, Christopher J.

, Abdellah, Mohamed, Nordlander, Peter and Sá, Jacinto 2019. Hydrated electron generation by excitation of copper localized surface plasmon resonance. The Journal of Physical Chemistry Letters 10 (8) , pp. 1743-1749. 10.1021/acs.jpclett.9b00792

Pegg, James T., Shields, Ashley E., Storr, Mark T., Scanlon, David O. and de Leeuw, Nora H.

2019. Interaction of hydrogen with actinide dioxide (111) surfaces. Journal of Chemical Physics 150 (13) , 134701. 10.1063/1.5087577

Pegg, James T., Shields, Ashley E., Storr, Mark T., Scanlon, David O. and De Leeuw, Nora H.

2019. Noncollinear relativistic DFT + U calculations of actinide dioxide surfaces. Journal of Physical Chemistry C 123 (1) , pp. 356-366. 10.1021/acs.jpcc.8b07823

Pegg, James T., Shields, Ashley E., Storr, Mark T., Wills, Andrew S., Scanlon, David O. and de Leeuw, Nora H.

2019. Magnetic structure of UO2 and NpO2 by first-principle methods. Physical Chemistry Chemical Physics 21 (2) , pp. 760-761. 10.1039/C8CP03581D

Pendem, Saikiran, Bolla, Srinivasa Rao, Morgan, David J.

, Shinde, Digambar B., Lai, Zhiping, Nakka, Lingaiah and Mondal, John 2019. Metal-organic-framework derived Co-Pd bond is preferred over Fe-Pd for reductive upgrading of furfural to tetrahydrofurfuryl alcohol. Dalton Transactions 48 (24) 10.1039/C9DT01190K

Permyakov, Eugene A., Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D. and Platts, James A.

2019. Molecular dynamics simulation of aluminum binding to amyloid-β and its effect on peptide structure. PLoS ONE 14 (6) , e0217992. 10.1371/journal.pone.0217992

Petrova, Yoana D., Wadda, Katty, Nathubhai, Amit, Jevglevskis, Maksims, Mitchell, Paul J., James, Tony D., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2019. Identification of novel small-molecule inhibitors of α-methylacyl-CoA (AMACR; P504S) and structure-activity relationships. Bioorganic Chemistry 92 , 103264. 10.1016/j.bioorg.2019.103264

Pezzetta, Cristofer, Bonifazi, Davide

and Davidson, Robert W. M. 2019. Enantioselective synthesis of N-benzylic heterocycles: a nickel and photoredox dual catalysis approach. Organic Letters 21 (22) , pp. 8957-8961. 10.1021/acs.orglett.9b03338

Phelan, Brian T., Zhang, Jinyuan, Huang, Guan-Jhih, Wu, Yi-Lin

, Zarea, Mehdi, Young, Ryan M. and Wasielewski, Michael R. 2019. Quantum coherence enhances electron transfer rates to two equivalent electron acceptors. Journal of the American Chemical Society 141 (31) , pp. 12236-12239. 10.1021/jacs.9b06166

Phillips, Kaitlin A., Stonelake, Thomas M., Horton, Peter N., Coles, Simon J., Hallett, Andrew J., O'Kell, Sean P., Beames, Joseph M.

and Pope, Simon J.A.

2019. Dual visible/NIR emission from organometallic iridium(III) complexes. Journal of Organometallic Chemistry 893 , pp. 11-20. 10.1016/j.jorganchem.2019.04.019

Phillips, Kaitlin 2019. Development of Luminescent iridium(III) and Rhenium(I) complexes for optoelectronic applications. PhD Thesis, Cardiff University.

Item availability restricted.

Pickett, John A

, Midega, Charles A O, Pittchar, Jimmy and Khan, Zeyaur R 2019. Removing constraints to sustainable food production: new ways to exploit secondary metabolism from companion planting and GM. Pest Management Science 75 (9) , pp. 2346-2352. 10.1002/ps.5508

Pinho, Jacinta, Amaral, Joana, Castro, Rui, Rodrigues, Cecilia, Casini, Angela

, Soveral, Graca and Gaspar, Manuela 2019. Copper complex nanoformulations featuring highly promising therapeutic potential in murine melanoma models. Nanomedicine 14 (7) 10.2217/nnm-2018-0388

Polidano, Kurt 2019. Exploring new directions in hydrogen transfer chemistry. PhD Thesis, Cardiff University.
Item availability restricted.

Polidano, Kurt, Williams, Jonathan M. J. and Morrill, Louis C.

2019. Iron-catalyzed borrowing hydrogen β-C(sp3)-methylation of alcohols. ACS Catalysis 9 (9) , pp. 8575-8580. 10.1021/acscatal.9b02461

Polyak, Iakov

, Hutton, Lewis, Crespo-Otero, Rachel, Barbatti, Mario and Knowles, Peter J.

2019. Ultrafast photoinduced dynamics of 1,3-Cyclohexadiene using XMS-CASPT2 surface hopping. Journal of Chemical Theory and Computation 15 (7) , pp. 3929-3940. 10.1021/acs.jctc.9b00396

Polyak, Iakov

, Richings, Gareth W., Habershon, Scott and Knowles, Peter J.

2019. Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression. Journal of Chemical Physics 150 (4) , -. 10.1063/1.5086358

Postica, Vasile, Vahl, Alexander, Santos Carballal, David

, Dankwort, Torben, Kienle, Lorenz, Hoppe, Mathias, Essadek-Cadi, Abdelaziz, De Leeuw, Nora H.

, Terasa, Maik-Ivo, Adelung, Rainer, Faupel, Franz and Lupan, Oleg 2019. Tuning ZnO sensors reactivity towards volatile organic compounds via Ag doping and nanoparticle functionalisation. ACS Applied Materials and Interfaces 11 (34) , pp. 31452-31466. 10.1021/acsami.9b07275

Pöthig, Alexander and Casini, Angela

2019. Recent developments of supramolecular metal-based structures for applications in cancer therapy and imaging. Theranostics 9 (11) , pp. 3150-3169. 10.7150/thno.31828

Pradhan, Tapas R.

and Mohapatra, Debendra K. 2019. Neighboring carbonyl group assisted oxyacetoxylation of propargylic carboxylates with retention of chirality under metal free condition. Advanced Synthesis & Catalysis 361 (15) , pp. 3605-3611. 10.1002/adsc.201900314

Pudkon, Watcharapong, Kaowphong, Sulawan, Pattisson, Samuel, Miedziak, Peter J., Bahruji, Hasliza, Davies, Thomas E., Morgan, David J.

and Hutchings, Graham J.

2019. Microwave synthesis of ZnIn2S4/WS2 composites for photocatalytic hydrogen production and hexavalent chromium reduction. Catalysis Science and Technology 9 (20) , pp. 5698-5711. 10.1039/C9CY01553A

Q

Quesne, Matthew G. and de Visser, Sam P. 2019. The quest for accurate theoretical models of metalloenzymes: An aid to experiment. Broclawik, E, Borowski, T and Radoń, M, eds. Transition Metals in Coordination Environments. Challenges and Advances in Computational Chemistry and Physics, Vol. 29. Challenges and Advances in Computational Chemistry and Physics, pp. 439-462. (10.1007/978-3-030-11714-6_14)

Quesne, Matthew G., Roldan Martinez, Alberto

, de Leeuw, Nora H.

and Catlow, C. Richard A.

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.

and Catlow, C. Richard A.

2019. Advances in sustainable catalysis: a computational perspective. Frontiers in Chemistry 7 , 182. 10.3389/fchem.2019.00182

Qurban, Jihan, Elsherbini, Mohamed, Alharbi, Haifa and Wirth, Thomas

2019. Synthesis, characterisation, and reactivity of novel pseudocyclic hypervalent iodine reagents with heteroaryl carbonyl substituents. Chemical Communications 55 , pp. 7998-8000. 10.1039/C9CC03905H

Qurban, Jihan 2019. Design, synthesis and applications of novel hypervalent iodine reagents. PhD Thesis, Cardiff University.

R

Rabizadeh, Taher, Morgan, David J.

, Peacock, Caroline L. and Benning, Liane G. 2019. Effectiveness of green additives vs poly(acrylic acid) in inhibiting calcium sulfate dihydrate crystallization. Industrial & Engineering Chemistry Research 58 (4) , pp. 1561-1569. 10.1021/acs.iecr.8b02904

Rasi, Silvia, Silveri, Fabrizio, Ricart, Susagna, Obradors, Xavier, Puig, Teresa, Roura-Grabulosa, Pere and Farjas, Jordi 2019. Thermal decomposition of CuProp2: In-situ analysis of film and powder pyrolysis. Journal of Analytical and Applied Pyrolysis 140 , pp. 312-320. 10.1016/j.jaap.2019.04.008

Reed-Berendt, Benjamin G. and Morrill, Louis C.

2019. Manganese-catalyzed N-alkylation of sulfonamides using alcohols. Journal of Organic Chemistry 84 (6) , pp. 3715-3724. 10.1021/acs.joc.9b00203

Reed-Berendt, Benjamin G., Polidano, Kurt and Morrill, Louis C.

2019. Recent advances in homogeneous borrowing hydrogen catalysis using earth-abundant first row transition metals. Organic and Biomolecular Chemistry 17 (7) , pp. 1595-1607. 10.1039/C8OB01895B

Rhys, Guto G., Wood, Christopher W., Beesley, Joseph L., Zaccai, Nathan R., Burton, Antony J., Brady, R. Leo, Thomson, Andrew R. and Woolfson, Derek N. 2019. Navigating the structural landscape of de novo α-helical bundles. Journal of the American Chemical Society 141 (22) , pp. 8787-8797. 10.1021/jacs.8b13354

Richards, E.

, Murphy, D. M.

and Che, M. 2019. An EPR characterisation of stable and transient reactive oxygen species formed under radiative and non-radiative conditions. Research on Chemical Intermediates 45 (12) , pp. 5763-5779. 10.1007/s11164-019-04001-0

Richards, Nia 2019. The catalytic decomposition of nitrous oxide. PhD Thesis, Cardiff University.

Item availability restricted.

Ried, Alexander C. A., Taylor, Laurence J., Geer, Ana M., Williams, Huw E. L., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2019. A highly active bidentate magnesium catalyst for amine‐borane dehydrocoupling: kinetic and mechanistic studies. Chemistry - A European Journal 25 (27) , pp. 6840-6846. 10.1002/chem.201901197

Ritterskamp, Nadine 2019. An EPR and ENDOR investigation of a series of Cu(II) transition metal complexes. PhD Thesis, Cardiff University.

Item availability restricted.

Roldan Martinez, Alberto

and de Leeuw, Nora H.

2019. A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe3S4{111} surface. Physical Chemistry Chemical Physics 10.1039/C8CP06371K

Rondiya, Sachin, Jadhav, Yogesh, Nasane, Mamta, Jadkar, Sandesh and Dzade, Nelson Y.

2019. Interface structure and band alignment of CZTS/CdS heterojunction: An experimental and first-principles DFT investigation. Materials 12 (24) , 4040. 10.3390/ma12244040

Rossignon, Alexandre and Bonifazi, Davide

2019. O-Annulation leading to five-, six-, and seven-membered cyclic diaryl ethers involving C-H cleavage. Synthesis 51 (19) , pp. 3588-3599. 10.1055/s-0037-1611892

Rucinska, Emilia Maria 2019. Selective catalytic oxidation in the liquid phase by gold-palladium catalysts. PhD Thesis, Cardiff University.

Item availability restricted.

Ruiz Esquius, Jonathan 2019. Catalysis to produce solar fuels: From the production of hydrogen via water splitting, to hydrogen conversion to methanol by its reaction with CO2. PhD Thesis, Cardiff University.

Item availability restricted.

Ruiz-Pernía, J. Javier, Tuñón, Iñaki, Moliner, Vicent and Allemann, Rudolf K.

2019. Why are some enzymes dimers? flexibility and catalysis in Thermotoga maritima dihydrofolate reductase. ACS Catalysis 9 , pp. 5902-5911. 10.1021/acscatal.9b01250

S

Saeed, Ibrahim Q. and Buurma, Niklaas J.

2019. Analysis of isothermal titration calorimetry data for complex interactions using I2CITC. Ennifar, Eric, ed. Microcalorimetry of Biological Molecules, Vol. 1964. Methods in Molecular Biology, Humana Press, pp. 169-183. (10.1007/978-1-4939-9179-2_13)

Samorí, Paolo, Feng, Xinliang and Bonifazi, Davide

2019. π‐Conjugated molecules: from structure to function. ChemPlusChem 84 (9) , pp. 1177-1178. 10.1002/cplu.201900442

Sampford, Katharine R., Carden, Jamie L., Kidner, Edward B., Berry, Abigail, Cavell, Kingsley J., Murphy, Damien M.

, Kariuki, Benson M.

and Newman, Paul D.

2019. Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes. Dalton Transactions , -. 10.1039/C8DT04462G

Sandu, Georgiana, Avila Osses, Jonathan, Luciano, Marine, Caina, Darwin, Stopin, Antoine, Bonifazi, Davide

, Gohy, Jean-François, Silhanek, Alejandro V., Florea, Ileana, Bahri, Mounib, Ersen, Ovidiu, Leclere, Philippe, Gabriele, Sylvain, Vlad, Alexandru and Melinte, Sorin 2019. Kinked silicon nanowires: Superstructures by metal assisted chemical etching. Nano Letters , -. 10.1021/acs.nanolett.9b02568

Santi, Micol, Seitz, Jakob, Cicala, Rossana, Hardwick, Tomas, Ahmed, Nisar

and Wirth, Thomas

2019. Memory of chirality in flow electrochemistry: fast optimisation with DoE and online 2D-HPLC. Chemistry - A European Journal 25 (71) , pp. 16230-16235. 10.1002/chem.201904711

Santi, Micol, Ould, Darren M. C., Wenz, Jan, Soltani, Yashar, Melen, Rebecca L.

and Wirth, Thomas

2019. Metal-free tandem rearrangement/lactonization: Access to 3,3-disubstituted benzofuran-2-(3H)-ones. Angewandte Chemie International Edition 58 (23) , pp. 7861-7865. 10.1002/anie.201902985

Santos Hernandez, Alba, Lewis, Richard James, Malta, Grazia, Howe, Alexander, Morgan, David John

, Hampton, Euan, Gaskin, Paul and Hutchings, Graham J.

2019. The direct synthesis of hydrogen peroxide over Au-Pd supported nanoparticles under ambient conditions. Industrial & Engineering Chemistry Research 58 (28) , pp. 12623-12631. 10.1021/acs.iecr.9b02211

Sarma, Plaban Jyoti, Dey Baruah, Satyajit, Logsdail, Andrew

and Deka, Ramesh Chandra 2019. Hydride pinning pathway in the hydrogenation of CO2 into formic acid on dimeric tin dioxide. ChemPhysChem 20 (5) , pp. 680-686. 10.1002/cphc.201801194

Saunders, Korrin 2019. Water purification by Catalytic Wet Air Oxidation (CWAO). PhD Thesis, Cardiff University.

Item availability restricted.

Saunders, Lucy K., Nowell, Harriott, Hatcher, Lauren E.

, Shepherd, Helena J., Teat, Simon J., Allan, David R., Raithby, Paul R. and Wilson, Chick C. 2019. Exploring short strong hydrogen bonds engineered in organic acid molecular crystals for temperature dependent proton migration behaviour using single crystal synchrotron X-ray diffraction (SCSXRD). CrystEngComm 21 (35) 10.1039/C9CE00925F

Schlaeger, Stefanie, Pickett, John A

and Birkett, Michael A 2019. Prospects for management of whitefly using plant semiochemicals, compared with related pests. Pest Management Science 74 (11) , pp. 2405-2411. 10.1002/ps.5058

Schmidt, Nico, Enache, Mihaela, Maggini, Laura, Havenith, Remco W.A., Bonifazi, Davide

and Stöhr, Meike 2019. Coverage-controlled polymorphism of H-bonded networks on Au(111). Journal of Physical Chemistry C 123 (12) , pp. 7151-7157. 10.1021/acs.jpcc.8b12260

Scott, Alan F., Cresser-Brown, Joel, Williams, Thomas L., Rizkallah, Pierre J.

, Jin, Yi

, Luk, Louis Y.-P.

and Allemann, Rudolf K.

2019. Crystal structure and biophysical analysis of furfural detoxifying aldehyde reductase from clostridium beijerinkii. Applied and Environmental Microbiology 10.1128/AEM.00978-19

Serhan, N., Tsolakis, A., Wahbi, A., Martos, F.J. and Golunski, S.

2019. Modifying catalytically the soot morphology and nanostructure in diesel exhaust: Influence of silver De-NOx catalyst (Ag/Al2O3). Applied Catalysis B: Environmental 241 , pp. 471-482. 10.1016/j.apcatb.2018.09.068

Shah, Parag M., Burnett, Joseph W. H., Morgan, David J.

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

2019. Ceria-zirconia mixed metal oxides prepared via mechanochemical grinding of carbonates for the total oxidation of propane and naphthalene. Catalysts 9 (5) , p. 475. 10.3390/catal9050475

Shah, Parag M., Day, Andrew N., Davies, Thomas E., Morgan, David J.

and Taylor, Stuart H.

2019. Mechanochemical preparation of ceria-zirconia catalysts for the total oxidation of propane and naphthalene Volatile Organic Compounds. Applied Catalysis B: Environmental 253 , pp. 331-340. 10.1016/j.apcatb.2019.04.061

Shah, Parag 2019. Preparation of mixed metal oxide catalysts for VOC total oxidation. PhD Thesis, Cardiff University.

Item availability restricted.

Sharma, Pankaj

, Jang, Ji-Wook and Lee, Jae Sung 2019. Key strategies to advance the photoelectrochemical water splitting performance of α‐Fe2O3 photoanode. ChemCatChem 11 (1) , pp. 157-179. 10.1002/cctc.201801187

Sharma, Pankaj

, Kim, Young-Jin, Kim, Min-Zy, Alam, Syed Fakhar and Cho, Churl Hee 2019. A stable polymeric chain configuration producing high performance PEBAX-1657 membranes for CO2 separation. Nanoscale Advances 1 (7) , pp. 2633-2644. 10.1039/C9NA00170K

Shen, Yanbin, Mamakhel, Aref, Liu, Xi, Hansen, Thomas W., Tabanelli, Tommaso, Bonincontro, Danilo, Iversen, Bo B., Prati, Laura, Li, Yongwang, Niemantsverdriet, J. W. Hans, Hutchings, Graham

, Dimitratos, Nikolaos

, Villa, Alberto and Su, Ren 2019. Promotion mechanisms of Au supported on TiO2 in thermal- and photocatalytic glycerol conversion. Journal of Physical Chemistry C 123 (32) , pp. 19734-19741. 10.1021/acs.jpcc.9b05475

Shirinfar, Bahareh and Ahmed, Nisar

2019. Diabetes treatment: Selective synthetic receptor for glucose. ChemistryOpen 8 (1) , pp. 84-86. 10.1002/open.201800279

Silva, Filipa 2019. Exploring new methodologies for the synthesis of garlic metabolites. PhD Thesis, Cardiff University.

Item availability restricted.

Silveri, Fabrizio 2019. Materials for carbon dioxide utilization. PhD Thesis, Cardiff University.

Item availability restricted.

Silveri, Fabrizio, Quesne, Matthew G., Roldan Martinez, Alberto

, De Leeuw, Nora H.

and Catlow, C. Richard A.

2019. Hydrogen adsorption on transition metal carbides: a DFT study. Physical Chemistry Chemical Physics 21 (10) , pp. 5335-5343. 10.1039/C8CP05975F

Simplicio Grasina, Manuel 2019. Synthesis of size controlled metal nanoparticles using microwave and sonochemical approaches. PhD Thesis, Cardiff University.

Item availability restricted.

Singh, Fateh V. and Wirth, Thomas

2019. 7. Selenium and tellurium electrophiles in organic synthesis. Laitinen, Risto and Oilunkaniemi, Raija, eds. Selenium and Tellurium Reagents: In Chemistry and Materials Science, De Gruyter, pp. 243-300. (10.1515/9783110529340-007)

Singh, Fateh Veer and Wirth, Thomas

2019. Selenium reagents as catalysts. Catalysis Science & Technology 9 (5) , pp. 1073-1091. 10.1039/C8CY02274G

Slater, Thomas

2019. Preface – Electron microscopy of beam-sensitive materials. Micron 125 , 102716. 10.1016/j.micron.2019.102716

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

, Willock, David J.

, Howard, Mark, Knight, David W., Taylor, Stuart H.

and Hutchings, Graham J.

2019. New insights for the valorisation of glycerol over MgO catalysts in the gas-phase. Catalysis Science and Technology 9 , pp. 1464-1475. 10.1039/C8CY02214C

Smith, Gemma L., Eyley, Jennifer E., Han, Xue, Zhang, Xinran, Li, Jiangnan, Jacques, Nicholas M., Godfrey, Harry G. W., Argent, Stephen P., McCormick McPherson, Laura J., Teat, Simon J., Cheng, Yongqiang, Frogley, Mark D., Cinque, Gianfelice, Day, Sarah J., Tang, Chiu C., Easun, Timothy L.

, Rudic, Svemir, Ramirez-Cuesta, Anibal J., Yang, Sihai and Schröder, Martin 2019. Reversible coordinative binding and separation of sulfur dioxide in a robust metal-organic framework with open copper sites. Nature Materials 18 , pp. 1358-1365. 10.1038/s41563-019-0495-0

Smith, Keith, Hegazy, Amany S. and El-Hiti, Gamal A. 2019. The use of polymeric sulfides as catalysts for the para-regioselective chlorination of phenol and 2-chlorophenol. Journal of Sulfur Chemistry 41 (1) , pp. 1-12. 10.1080/17415993.2019.1688815

Smith, Keith, Williams, Des and El-Hiti, Gamal A. 2019. Regioselective chlorination of phenols in the presence of tetrahydrothiopyran derivatives. Journal of Sulfur Chemistry 40 (5) , pp. 529-538. 10.1080/17415993.2019.1620230

Smith, Paul J., Smith, Louise, Dummer, Nicholas F.

, Douthwaite, Mark, Willock, David J.

, Howard, Mark, Knight, David W., Taylor, Stuart H.

and Hutchings, Graham J.

2019. Investigating the Influence of Reaction Conditions and the Properties of Ceria for the Valorisation of Glycerol. Energies 12 (7) , 1359. 10.3390/en12071359

Soldatova, Natalia S., Postnikov, Pavel S., Yusubov, Mekhman S. and Wirth, Thomas

2019. Flow synthesis of iodonium trifluoroacetates through direct oxidation of iodoarenes by Oxone®. European Journal of Organic Chemistry 2019 (10) , pp. 2081-2088. 10.1002/ejoc.201900220

South, Amy J., Geer, Ana M., Taylor, Laurence J., Sharpe, Helen R., Lewis, William, Blake, Alexander J. and Kays, Deborah L.

2019. Iron(II)-catalyzed hydroamination of isocyanates. Organometallics 38 (21) , 4115–4120. 10.1021/acs.organomet.9b00393

Stanczyk, N. M., Brugman, V. A., Austin, V., Sanchez-Roman Teran, F., Gezan, S. A., Emery, M., Visser, T. M., Dessens, J. T., Stevens, W., Smallegange, R. C., Takken, W., Hurd, H., Caulfield, John, Birkett, M., Pickett, J.

and Logan, J. G. 2019. Species-specific alterations in Anopheles mosquito olfactory responses caused by Plasmodium infection. Scientific Reports 9 , 3396. 10.1038/s41598-019-40074-y

Stewart, Jack A., McKeown, Paul, Driscoll, Oliver J., Mahon, Mary F., Ward, Benjamin D.

and Jones, Matthew D. 2019. Tuning the thiolen: Al(III) and Fe(III) thiolen complexes for the isoselective ROP of rac-Lactide. Macromolecules 52 (15) , pp. 5977-5984. 10.1021/acs.macromol.9b01205

Stishenko, P. V. and Kayumova, T. R. 2019. Investigate of lateral interactions between ammonia molecules adsorbed on a V3C2 MXenes sheet of DFT study and statistical physics. Presented at: Oil and Gas Engineering (OGE-2019), 26–28 February 2019. Published in: Myshlyavtsev, Alexander V., Likholobov, Vladimir A. and Yusha, Vladimir L. eds. AIP Conference Proceedings. , vol.2151 AIP, 10.1063/1.5122041

Stonelake, Thomas Matthew 2019. Spectroscopic and computational techniques for the analysis of photochemically driven reactions. PhD Thesis, Cardiff University.

Item availability restricted.

Sun, Songmei, Watanabe, Motonori, Wang, Pangpang and Ishihara, Tatsumi 2019. Synergistic enhancement of H2 and CH4 evolution by CO2 photoreduction in water with reduced Graphene oxide–bismuth monoxide quantum dot catalyst. ACS Applied Energy Materials 2 (3) , pp. 2104-2112. 10.1021/acsaem.8b02153

T

Tafreshi, Saeedeh Sarabadani, Moshfegh, Alireza Z.Xaker and De Leeuw, Nora

2019. Mechanism of photocatalytic reduction of CO2 by Ag3PO4(111)/g-C3N4 nanocomposite: A first principles study. Journal of Physical Chemistry C 123 (36) , pp. 22191-22201. 10.1021/acs.jpcc.9b04493

Tailby, Matthew 2019. Intensification of multiphase processes. MPhil Thesis, Cardiff University.
Item availability restricted.

Tansell, Alexander 2019. The use of microscopy and spectroscopy to probe the dynamic behaviours of metal-organic frameworks and their guests. PhD Thesis, Cardiff University.

Item availability restricted.

Taylor, Laurence J. and Kays, Deborah L.

2019. Low-coordinate first-row transition metal complexes in catalysis and small molecule activation. Dalton Transactions 48 (33) , pp. 12365-12381. 10.1039/C9DT02402F

Thomas, Daniel Stephen 2019. Modification of human thyroid peroxidase for structural studies. PhD Thesis, Cardiff University.

Item availability restricted.

Tierney, George F., Decarolis, Donato, Abdullah, Norli, Rogers, Scott M., Hayama, Shusaku, Briceno de Gutierrez, Martha, Villa, Alberto, Catlow, C. Richard A.

, Collier, Paul, Dimitratos, Nikolaos and Wells, Peter P. 2019. Extracting structural information of Au colloids at ultra-dilute concentrations: identification of growth during nanoparticle immobilization. Nanoscale Advances 1 (7) , pp. 2546-2552. 10.1039/C9NA00159J

Tiwari, Jitendra N., Harzandi, Ahmad M., Ha, Miran, Sultan, Siraj, Myung, Chang Woo, Park, Hyo Ju, Kim, Dong Yeon, Thangavel, Pandiarajan, Singh, Aditya Narayan, Sharma, Pankaj

, Chandrasekaran, Selvaraj Selva, Salehnia, Foad, Jang, Ji-Wook, Shin, Hyeon Suk, Lee, Zonghoon and Kim, Kwang S. 2019. High-performance hydrogen evolution by Ru single atoms and nitrided-Ru nanoparticles implanted on N-doped graphitic sheet. Advanced Energy Materials 9 (26) , 1900931. 10.1002/aenm.201900931

Tolosa, Tigist A., Tamiru, Amanuel, Midega, Charles A. O., Van Den Berg, Johnnie, Birkett, Michael A., Woodcock, Christine M., Bruce, Toby J. A., Kelemu, Segenet, Pickett, John A.

and Khan, Zeyaur R. 2019. Molasses grass induces direct and indirect defense responses in neighbouring maize plants. Journal of Chemical Ecology 45 (11-12) , pp. 982-992. 10.1007/s10886-019-01122-z

Tondo, Rodolfo 2019. Peptide-assisted cancer cell migration along engineered surfaces. PhD Thesis, Cardiff University.

Item availability restricted.

Tsuru, Shota, Vidal, Marta L., Pápai, Mátyás, Krylov, Anna I., Møller, Klaus B. and Coriani, Sonia 2019. Time-resolved near-edge X-ray absorption fine structure of pyrazine from electronic structure and nuclear wave packet dynamics simulations. The Journal of Chemical Physics 151 (12) , 124114. 10.1063/1.5115154

Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D. and Platts, James A.

2019. Replica exchange molecular dynamics simulation of the coordination of Pt(ii)-Phenanthroline to amyloid-β†. RSC Advances 9 (60) , pp. 35089-35097. 10.1039/C9RA04637B

Turner, Matthew, Mutter, Shaun and Platts, James

2019. Molecular dynamics simulation on the effect of transition metal binding to the n-terminal fragment of amyloid-β. Journal of Biomolecular Structure and Dynamics 37 (17) , pp. 4590-4600. 10.1080/07391102.2018.1555490

Turner, Thomas D., Hatcher, Lauren E.

, Wilson, Chick C. and Roberts, Kevin J. 2019. Habit modification of the active pharmaceutical ingredient lovastatin through a predictive solvent selection approach. Journal of Pharmaceutical Sciences 108 (5) 10.1016/j.xphs.2018.12.012

Tzoupis, Haralambos, Nteli, Agathi, Platts, Jamie

, Mantzourani, Efi

and Tselios, Theodore 2019. Refinement of the gonadotropin releasing hormone receptor I homology model by applying molecular dynamics. Journal of Molecular Graphics and Modelling 89 , pp. 147-155. 10.1016/j.jmgm.2019.03.009

U

Ungerer, M. J.

, van der Westhuizen, D. J., Krieg, H. M. and van Sittert, C. G. C. E. 2019. Molecular modelling of tantalum fluoride in sulphuric acid medium: a DFT study. Journal of Molecular Liquids 288 , 111056. 10.1016/j.molliq.2019.111056

Ungerer, M. J.

, van Sittert, C. G. C. E., van der Westhuizen, D. J. and Krieg, H. M. 2019. DFT modelling of tantalum pentafluoride extraction with phosphorus-based extractants - A molecular dynamics study. Journal of Physics and Chemistry of Solids 135 , 109121. 10.1016/j.jpcs.2019.109121

Ungerer, Marietjie

, Santos Carballal, David

, Cadi, Abdelaziz, van Sittert, Cornelia G. C. E. and de Leeuw, Nora H.

2019. Interaction of H2O with the platinum Pt (001), (011), and (111) surfaces: a density functional theory study with long-range dispersion corrections. Journal of Physical Chemistry C 123 (45) , pp. 27465-27476. 10.1021/acs.jpcc.9b06136

Utkin, Yuri N., Kuch, Ulrich, Kasheverov, Igor E., Lebedev, Dmitry S., Cederlund, Ella, Molles, Brian E., Polyak, Iakov

, Ivanov, Igor A., Prokopev, Nikita A., Ziganshin, Rustam H., Jornvall, Hans, Alvelius, Gunvor, Chanhome, Lawan, Warrell, David A., Mebs, Dietrich, Bergman, Tomas and Tsetlin, Victor I. 2019. Novel long-chain neurotoxins from Bungarus candidus distinguish the two binding sites in muscle-type nicotinic acetylcholine receptors. Biochemical Journal 476 (8) , pp. 1285-1302. 10.1042/BCJ20180909

V

Valentini, Cataldo 2019. Tailoring optoelectronic properties of anthanthrene through O-, S-, and N-doping. PhD Thesis, Cardiff University.

Item availability restricted.

van Dijk, F., Teekamp, N., Post, E., Schuppan, D., Kim, Y.O., Zuidema, J., Steendam, R., Klose, Matthias H.M., Meier-Menches, Samuel M., Casini, Angela

, Horvatovich, P.L., Sijbrandi, N.J., Frijlink, H.W., Hinrichs, W.L.J., Poelstra, K., Beljaars, L. and Olinga, P. 2019. The antifibrotic potential of a sustained release formulation of a PDGFβ-receptor targeted rho kinase inhibitor. Journal of Controlled Release 296 , pp. 250-257. 10.1016/j.jconrel.2018.12.039

Varache, Mathieu

, Powell, Lydia C.

, Aarstad, Olav A., Williams, Thomas L., Wenzel, Margot N.

, Thomas, David W.

and Ferguson, Elaine L.

2019. Polymer masked-unmasked protein therapy: Identification of the active species after amylase-activation of dextrin-colistin conjugates. Molecular Pharmaceutics 16 (7) , pp. 3199-3207. 10.1021/acs.molpharmaceut.9b00393

Venezia, Baldassarre, Douthwaite, Mark, Wu, Gaowei, Sankar, Meenakshisundaram

, Ellis, Peter, Hutchings, Graham J.

and Gavriilidis, Asterios 2019. Slurry loop tubular membrane reactor for the catalysed aerobic oxidation of benzyl alcohol. Chemical Engineering Journal 378 , 122250. 10.1016/j.cej.2019.122250

Verma, S., Kumar, M., Mishra, P. K.

and Verma, A. K. 2019. Metal-free carbonyl-assisted regioselective hydration of alkynes: an access to dicarbonyls. Organic Letters 21 (13) , pp. 5059-5063. 10.1021/acs.orglett.9b01649

Vertesaljai, Peter, Serrano, Roberto, Mannchen, Michael D., Williams, Matthew, Semenova, Evgeniya and Grenning, Alexander J. 2019. Promoting thermodynamically unfavorable [3,3] rearrangements by chemoselective reduction. Organic Letters 21 (14) , pp. 5704-5707. 10.1021/acs.orglett.9b02057

Item availability restricted.

Vidal, Marta L., Feng, Xintian, Epifanovsky, Evgeny, Krylov, Anna I. and Coriani, Sonia 2019. New and efficient equation-of-motion coupled-cluster framework for core-excited and core-ionized states. Journal of Chemical Theory and Computation 15 (5) , pp. 3117-3133. 10.1021/acs.jctc.9b00039

Vioglio, Paolo Cerreia, Thureau, Pierre, Juramy, Marie, Ziarelli, Fabio, Viel, Stéphane, Williams, P. Andrew, Hughes, Colan E., Harris, Kenneth D. M.

and Mollica, Giulia 2019. A strategy for probing the evolution of crystallization processes by low-temperature solid-state NMR and dynamic nuclear polarization. Journal of Physical Chemistry Letters 10 (7) , pp. 1505-1510. 10.1021/acs.jpclett.9b00306

W

Waldron, Conor, Cao, Enhong, Cattaneo, Stefano, Brett, Gemma L., Miedziak, Peter J., Wu, Gaowei, Meenakshisundaram, Sankar

, Hutchings, Graham J.

and Gavriilidis, Asterios 2019. Three step synthesis of benzylacetone and 4-(4-methoxyphenyl)butan-2-one in flow using micropacked bed reactors. Chemical Engineering Journal 377 , 119976. 10.1016/j.cej.2018.09.137

Wallace, William 2019. Metal oxide preparation for heterogeneous catalysis. PhD Thesis, Cardiff University.

Item availability restricted.

Wang, Tao, Ibañez, Javier, Wang, Kang, Fang, Lin, Sabbe, Maarten, Michel, Carine, Paul, Sébastien, Pera-Titus, Marc and Sautet, Philippe 2019. Rational design of selective metal catalysts for alcohol amination with ammonia. Nature Catalysis 2 (9) , pp. 773-779. 10.1038/s41929-019-0327-2

Wang, Y.-C., Slater, T.J.A.

, Leteba, G.M., Roseman, A.M., Race, C.P., Young, N.P., Kirkland, A.I., Lang, C.I. and Haigh, S.J. 2019. Imaging three-dimensional elemental inhomogeneity in Pt-Ni nanoparticles using spectroscopic single particle reconstruction. Nano Letters 19 (2) , pp. 732-738. 10.1021/acs.nanolett.8b03768

Wang, Yu, Tappertzhofen, Nadine, Méndez-Sánchez, Daniel, Bawn, Maria, Lyu, Boyu, Ward, John M. and Hailes, Helen C. 2019. Design and use of de novo cascades for the biosynthesis of new benzylisoquinoline alkaloids. Angewandte Chemie International Edition 58 (30) , pp. 10120-10125. 10.1002/anie.201902761

Watson, Nathan A. I., Black, Joshua A., Stonelake, Thomas M., Knowles, Peter J.

and Beames, Joseph M

2019. An extended computational study of Criegee intermediate - alcohol reactions. Journal of Physical Chemistry A 123 (1) , pp. 218-229. 10.1021/acs.jpca.8b09349

Wenzel, Margot

, Bonsignore, Riccardo

, Thomas, Sophie, Bourissou, Didier, Barone, Giampaolo and Casini, Angela

2019. Cyclometalated AuIII complexes for cysteine arylation in zinc finger protein domains: towards controlled reductive elimination. Chemistry - A European Journal 25 (32) , pp. 7628-7634. 10.1002/chem.201901535

Wenzel, Margot N.

, Mósca, Andreia F., Graziani, Valentina, Aikman, Brech, Thomas, Sophie R., De Almeida, Andreia

, Platts, James A.

, Re, Nazzareno, Coletti, Cecilia, Marrone, Alessandro, Soveral, Graça and Casini, Angela

2019. Insights into the mechanisms of aquaporin-3 inhibition by gold(III) complexes: the importance of non-coordinative adduct formation. Inorganic Chemistry 58 (3) , -. 10.1021/acs.inorgchem.8b03233

Wenzel, Margot N.

, Woods, Benjamin and Casini, Angela

2019. Supramolecular metal-based structures for applications in cancer therapy [Chapter 9]. Casini, A., Vessieres, A. and Meier-Menches, S., eds. Metal-based Anticancer Agents, Metallobiology, Royal Society of Chemistry, pp. 215-245. (10.1039/9781788016452-00215)

Willcox, Darren and Melen, Rebecca L.

2019. Borane-catalyzed heterocycle synthesis. Trends in Chemistry 1 (6) , pp. 625-626. 10.1016/j.trechm.2019.06.011

Willcox, Darren and Melen, Rebecca L.

2019. Illuminating Lewis acidity strength. Chem 5 (6) , pp. 1362-1363. 10.1016/j.chempr.2019.04.001

Wirth, Thomas

and Knight, David 2019. Morpholin-2-one derivatives via intramolecular acid-catalyzed hydroamination. SYNTHESIS 51 (07) , pp. 1643-1648. 10.1055/s-0037-1610674

Wolf, Moritz, Gibson, Emma K., Olivier, Ezra J., Neethling, Jan H., Catlow, C. Richard A.

, Fischer, Nico and Claeys, Michael 2019. In-depth characterisation of metal-support compounds in spent Co/SiO2 Fischer-Tropsch model catalysts. Catalysis Today , -. 10.1016/j.cattod.2019.01.065

Woods, Ben, Dollerer, Daniel, Aikman, Brech, Wenzel, Margot

, Sayers, Edward J.

, Kühn, Fritz E., Jones, Arwyn T.

and Casini, Angela

2019. Highly luminescent metallacages featuring bispyridyl ligands functionalised with BODIPY for imaging in cancer cells. Journal of Inorganic Biochemistry 199 , 110781. 10.1016/j.jinorgbio.2019.110781

Woods, Ben, Wenzel, Margot N.

, Williams, Thomas, Thomas, Sophie R., Jenkins, Robert L. and Casini, Angela

2019. Exo-functionalized metallacages as host-guest systems for the anticancer drug Cisplatin. Frontiers in Chemistry 7 (68) 10.3389/fchem.2019.00068

Woods, Benjamin 2019. Supramolecular Pd2L4 self-assembled coordination metallacages for use as drug delivery system for the anti-cancer drug cisplatin. PhD Thesis, Cardiff University.

Item availability restricted.

Wragg, Darren, de Almeida, Andreia

, Casini, Angela

and Leoni, Stefano

2019. Unveiling the mechanisms of aquaglyceroporin-3 water and glycerol permeation by metadynamics. Chemistry - A European Journal 25 (37) , pp. 8713-8718. 10.1002/chem.201902121

Wragg, Darren 2019. Novel computational methods for biomechanistic and metallodrug discovery. PhD Thesis, Cardiff University.

Item availability restricted.

Wu, Longfei, Longo, Alessandro, Dzade, Nelson Y.

, Sharma, Akhil, Hendrix, Marco M. R. M., Bol, Ageeth A., De Leeuw, Nora H.

, Hensen, Emiel J. M. and Hofmann, Jan Philipp 2019. The origin of high activity of amorphous MoS2 in the hydrogen evolution reaction. ChemSusChem 12 (19) , pp. 4383-4389. 10.1002/cssc.201901811

Wu, Longfei, van Hoof, Arno J. F., Dzade, Nelson Y.

, Gao, Lu, Richard, Marie-Ingrid, Friedrich, Heiner, De Leeuw, Nora H.

, Hensen, Emiel J. M. and Hofmann, Jan P. 2019. Enhancing the electrocatalytic activity of 2H-WS2 for hydrogen evolution via defect engineering. Physical Chemistry Chemical Physics 21 (11) , pp. 6071-6079. 10.1039/C9CP00722A

Wu, Longfei, Dzade, Nelson Y.

, Yu, Miao, Mezari, Brahim, van Hoof, Arno J. F., Friedrich, Heiner, de Leeuw, Nora H.

, Hensen, Emiel J. M. and Hofmann, Jan P. 2019. Unraveling the role of lithium in enhancing the hydrogen evolution activity of MoS2: intercalation versus adsorption. ACS Energy Letters 4 (7) , pp. 1733-1740. 10.1021/acsenergylett.9b00945

X

Xu, Shaojun, Chansai, Sarayute, Stere, Cristina, Inceesungvorn, Burapat, Goguet, Alexandre, Wangkawong, Kanlayawat, Taylor, S. F. Rebecca, Al-Janabi, Nadeen, Hardacre, Christopher, Martin, Philip A. and Fan, Xiaolei 2019. Sustaining metal–organic frameworks for water–gas shift catalysis by non-thermal plasma. Nature Catalysis 2 (2) , pp. 142-148. 10.1038/s41929-018-0206-2

Xu, Ruoyu, Kang, Liqun, Knossalla, Johannes, Mielby, Jerrik, Wang, Qiming, Wang, Bolun, Feng, Junrun, He, Guanjie

, Qin, Yudao, Xie, Jijia, Swertz, Ann-Christin, He, Qian

, Kegnæs, Søren, Brett, Dan J. L., Schüth, Ferdi and Wang, Feng Ryan 2019. Nanoporous carbon: liquid-free synthesis and geometry-dependent catalytic performance. ACS Nano 13 (2) , pp. 2463-2472. 10.1021/acsnano.8b09399

Y

Yang, Bingyu, Leclercq, Loïc, Schmitt, Véronique, Pera Titus, Marc and Nardello-Rataj, Véronique 2019. Colloidal tectonics for tandem synergistic Pickering interfacial catalysis: oxidative cleavage of cyclohexene oxide into adipic acid. Chemical Science 10 (2) , pp. 501-507. 10.1039/C8SC03345E

Ye, Guanying, He, Qian

, Liu, Suqin, Zhao, Kuangmin, Su, Yuke, Zhu, Weiwei, Huang, Rongjiao and He, Zhen

2019. Cage-confinement of gas-phase ferrocene in zeolitic imidazolate frameworks to synthesize high-loading and atomically dispersed Fe?N codoped carbon for efficient oxygen reduction reaction. Journal of Materials Chemistry A 7 (27) , pp. 16508-16515. 10.1039/C9TA04954A

Yevglevskis, Maksims, Nathubhai, Amit, Wadda, Katty, Lee, Guat L., Al-Rawi, Suzanne, Jiao, Tingying, Mitchell, Paul J., James, Tony D., Threadgill, Michael D., Woodman, Timothy J. and Lloyd, Matthew D. 2019. Novel 2-arylthiopropanoyl-CoA inhibitors of α-methylacyl-CoA racemase 1A (AMACR; P504S) as potential anti-prostate cancer agents. Bioorganic Chemistry 92 , 103263. 10.1016/j.bioorg.2019.103263

Yong, Yongliang, Zhou, Qingxiao, Su, Xiangying, Kuang, Yanmin, Catlow, C. Richard A.

and Li, Xiaohong 2019. Hydrogenated Si12Au20 cluster as a molecular sensor with high performance for NH3 and NO detection: A first-principle study. Journal of Molecular Liquids 289 , 111153. 10.1016/j.molliq.2019.111153

Yu, Yanke, Chen, Changwei, Ma, Mudi, Douthwaite, Mark, He, Chi, Miao, Jifa, Chen, Jinsheng and Li, Can 2019. SO2 promoted in situ recovery of thermally deactivated Fe2(SO4)3/TiO2 NH3-SCR catalysts: from experimental work to theoretical study. Chemical Engineering Journal 361 , pp. 820-829. 10.1016/j.cej.2018.12.149

Yuan, Hangkong, Li, Jerry-Peng, Su, Fangzheng, Yan, Zhen, Kusema, Bright T., Streiff, Stéphane, Huang, Yongji, Pera-Titus, Marc and Shi, Feng 2019. Reductive amination of furanic aldehydes in aqueous solution over versatile NiyAlOx catalysts. ACS Omega 4 (2) , pp. 2510-2516. 10.1021/acsomega.8b03516

Yusubov, Mekhman S., Soldatova, Natalia S., Postnikov, Pavel S., Valiev, Rashid R., Yoshimura, Akira, Wirth, Thomas

, Nemykin, Victor N. and Zhdankin, Viktor V. 2019. 2-Iodoxybenzoic acid ditriflate: the most powerful hypervalent iodine(v) oxidant. Chemical Communications 55 , pp. 7760-7763. 10.1039/C9CC04203B

Z

Zachariou, Andrea, Hawkins, Alexander, Lennon, David, Parker, Stewart F., Suwardiyanto, -, Matam, Santhosh K., Catlow, C. Richard A.

, Collier, Paul, Hameed, Ali, McGregor, James and Howe, Russell F. 2019. Investigation of ZSM-5 catalysts for dimethylether conversion using inelastic neutron scattering. Applied Catalysis A: General 569 , pp. 1-7. 10.1016/j.apcata.2018.10.010

Zeinalipour-Yazdi, Constantinos D. and Catlow, C. Richard A.

2019. An experimental and computational IR and hybrid DFT-D3 study of the conformations of l-lactic and acrylic acid: new insight into the dehydration mechanism of lactic acid to acrylic acid. Physical Chemistry Chemical Physics 21 (40) , pp. 22331-22346. 10.1039/C9CP02968K

Zhan, Sihui, Li, Xingang, Hutchings, Graham

and Kim, Jaehong 2019. Editorial of Environmental Catalysis_18NCC. Catalysis Today 327 , p. 1. 10.1016/j.cattod.2019.01.046

Zhang, Rongxin, Xu, Shaojun, Raja, Duaa, Khusni, Nor Binti, Liu, Jinmin, Zhang, Jiaoyu, Abdulridha, Samer, Xiang, Huan, Jiang, Songshan, Guan, Yanan, Jiao, Yilai and Fan, Xiaolei 2019. On the effect of mesoporosity of FAU Y zeolites in the liquid-phase catalysis. Microporous and Mesoporous Materials 278 , pp. 297-306. 10.1016/j.micromeso.2018.12.003

Zhang, Igor Ying, Logsdail, Andrew

, Ren, Xinguo, Levchenko, Sergey V., Ghiringhelli, Luca M and Scheffler, Matthias 2019. Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations. New Journal of Physics 21 , -. 10.1088/1367-2630/aaf751

Zhao, Guolin, Hong, Bing, Bao, Bo, Zhao, Shuangliang and Pera-Titus, Marc 2019. Meso–microscale study of glycerol/dodecanol Pickering emulsions stabilized by polystyrene-grafted silica nanoparticles for interfacial catalysis. Journal of Physical Chemistry C 123 (70) , pp. 12818-12826. 10.1021/acs.jpcc.9b01876

Zhou, Yating, Patterson, Rhian, Palmer, Benjamin, Edwards-Gau, Gregory R, Kariuki, Benson

, Nambalan Sivaraman, Saleesh Kumar, Bruce, Duncan W, Dolbnya, Igor P., Collins, Stephen P, Malandain, Andrew and Harris, Kenneth D M

2019. Spatially resolved mapping of phase transitions in liquid-crystalline materials by X-ray birefringence imaging. Chemical Science 10 (10) , -. 10.1039/C8SC05285A

Zhou, Yating, Patterson, Rhian, Williams, P. Andrew, Kariuki, Benson M.

, Hughes, Colan E., Samanta, Ranita, Devarapalli, Ramesh, Reddy, C. Malla, Apperley, David C. and Harris, Kenneth D. M.

2019. Temperature-dependent structural properties, phase transition behavior, and dynamic properties of a benzene derivative in the solid state. Crystal Growth and Design 19 (4) , pp. 2155-2162. 10.1021/acs.cgd.8b01775

Zhu, Wen, Radadiya, Ashish

, Bisson, Claudine, Wenzel, Sabine, Nordin, Brian E., Martínez-Márquez, Francisco, Imasaki, Tsuyoshi, Sedelnikova, Svetlana E., Coricello, Adriana, Baumann, Patrick, Berry, Alexandria H., Nomanbhoy, Tyzoon K., Kozarich, John W., Jin, Yi

, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J.

2019. 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, Wen, Radadiya, Ashish

, Rice, David W., Takagi, Yuichiro and Richards, Nigel G. J.

2019. High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity. Communications Biology 2 , 345. 10.1038/s42003-019-0587-z

Zhu, Diya, LaFortune, James H. W., Melen, Rebecca L.

and Stephan, Douglas W. 2019. Electrophilic boron carboxylate and phosphinate complexes. Dalton Transactions 48 (6) , pp. 2038-2045. 10.1039/C8DT04818E