Publications
Explore our articles, books, reports and papers written by experts in their field.
Recent publications
- Aggett, K. 2022. Designing new catalysts to control atmospheric emissions of volatile organic pollutants. PhD Thesis , Cardiff University.
- Agrawal, K. et al. 2022. Hydrodeoxygenation of guaiacol over orthorhombic molybdenum carbide: a DFT and microkinetic study. Catalysis Science & Technology 12 (3), pp.843-854. (10.1039/D1CY01273H)
- Ahmed, D. S. et al., 2022. Fabrication of highly photostable polystyrene films embedded with organometallic complexes. Polymers 14 (5) 1024. (10.3390/polym14051024)
- Al-Riyahee, A. A. et al., 2022. Ni(II), Cu(II) and Zn(II) complexes of functionalised thiosemicarbazone ligands: Syntheses and reactivity, characterization and structural studies. Polyhedron 225 116079. (10.1016/j.poly.2022.116079)
- Al-Riyahee, A. A. A. et al. 2022. N,N′-Substituted thioureas and their metal complexes: syntheses, structures and electronic properties. Dalton Transactions 51 (9), pp.3531-3545. (10.1039/D1DT04091J)
- Ali, H. et al., 2022. Interfacial activity and micellar morphology of an imidazolium ring containing zwitterionic surfactants. Journal of Surfactants and Detergents 25 (3), pp.341-350. (10.1002/jsde.12573)
- Aliakbari, R. et al., 2022. Si-containing 3D cage-functionalized graphene oxide grafted with Ferrocene for high-performance supercapacitor application: An experimental and theoretical study. Journal of Energy Storage 50 104635. (10.1016/j.est.2022.104635)
- Allemann, R. K. et al. 2022. Spatio-temporal control of cell death by selective delivery of photo-activatable proteins. ChemBioChem 23 (12) e202200115. (10.1002/cbic.202200115)
- Alli, U. et al., 2022. In-situ continuous hydrothermal synthesis of TiO2 nanoparticles on conductive N-doped MXene nanosheets for binder-free li-ion battery anodes. Chemical Engineering Journal 430 (4) 132976. (10.1016/j.cej.2021.132976)
- Alshammari, N. 2022. Exploration of the effect of metal-ions interaction on biomolecular systems. PhD Thesis , Cardiff University.
- Amakali, T. et al., 2022. Photocatalytic degradation of rhodamine B dye and hydrogen evolution by hydrothermally synthesized NaBH4-spiked ZnS nanostructures. Frontiers in Chemistry 10 835832. (10.3389/fchem.2022.835832)
- Ayama-Canden, S. et al., 2022. IGDQ motogenic peptide gradient induces directional cell migration through integrin (αv)β3 activation in MDA-MB-231 metastatic breast cancer cells. Neoplasia 31 100816. (10.1016/j.neo.2022.100816)
- Azizova, L. et al. 2022. Parameters controlling octadecyl phosphonic acid self-assembled monolayers on titanium dioxide for anti-fouling biomedical applications. Applied Surface Science 604 154462. (10.1016/j.apsusc.2022.154462)
- Babaahmadi, R. et al., 2022. Understanding the influence of donor-acceptor diazo compounds on the catalyst efficiency of B(C6F5)3 towards carbene formation. Chemistry - A European Journal 28 (11) e202104376. (10.1002/chem.202104376)
- Bacirhonde, P. M. et al., 2022. Reduction of transition-metal columbite-tantalite as a highly efficient electrocatalyst for water splitting. ACS Applied Materials and Interfaces 14 (13), pp.15090–15102. (10.1021/acsami.1c21742)
- Barlocco, I. et al., 2022. Selective decomposition of hydrazine over metal free carbonaceous materials. Physical Chemistry Chemical Physics 24 (5), pp.3017-3029. (10.1039/D1CP05179B)
- Barlow, V. L. and Tsai, Y. 2022. Acetylation at lysine 86 of escherichia coli HUβ modulates the DNA-binding capability of the protein. Frontiers in Microbiology 12 809030. (10.3389/fmicb.2021.809030)
- Barnes, A. et al. 2022. Enhancing catalytic performance of AuPd catalysts towards the direct synthesis of H2O2 through incorporation of base metals. Catalysis Science & Technology 12 , pp.1986-1995. (10.1039/D1CY01962G)
- Barter, M. et al. 2022. Design considerations of a dual mode X-band EPR resonator for rapid in-situ microwave heating. Applied Magnetic Resonance 53 , pp.861-874. (10.1007/s00723-022-01463-1)
- Bell, C. G. et al., 2022. Trainable segmentation for transmission electron microscope images of inorganic nanoparticles. Journal of Microscopy (10.1111/jmi.13110)
- Benton, J. 2022. Chemoenzymatic applications and catalytic mechanism of 7-epi-zingiberene synthase. PhD Thesis , Cardiff University.
- Bere, T. 2022. Designing novel amorphous catalysts for the propane dehydrogenation reaction. PhD Thesis , Cardiff University.
- Bijani, S. et al., 2022. Novel dihydropyrimidinone derivatives as potential P-glycoprotein modulators. ACS Omega 7 (19), pp.16278-16287. (10.1021/acsomega.1c05839)
- Blackaby, W. J. M. et al., 2022. Extreme g-Tensor anisotropy and its insensitivity to structural distortions in a family of linear two-coordinate Ni(I) Bis-N-heterocyclic carbene complexes. Inorganic Chemistry 61 (3), pp.1308-1315. (10.1021/acs.inorgchem.1c02413)
- Bolt, R. R. A. et al., 2022. Continuous flow mechanochemistry: reactive extrusion as an enabling technology in organic synthesis. Chemical Society Reviews 51 (11), pp.4243-4260. (10.1039/D1CS00657F)
- Bowker, M. , Holroyd, R. and Perkins, N. 2022. The catalytic reactivity of alloys; ethanol and formic acid decomposition on Cu-Pd(110). Journal of Physical Chemistry C 126 (37), pp.15703-15709. (10.1021/acs.jpcc.2c04881)
- Bowker, M. et al. 2022. The critical role of βPdZn alloy in Pd/ZnO catalysts for the hydrogenation of carbon dioxide to methanol. ACS Catalysis 12 (9), pp.5371-5379. (10.1021/acscatal.2c00552)
- Bowker, M. , O'Rourke, C. and Mills, A. 2022. The role of metal nanoparticles in promoting photocatalysis by TiO2. Topics in Current Chemistry 380 (3) 17. (10.1007/s41061-022-00373-x)
- Branfoot, C. et al., 2022. Heterometathesis of diphosphanes (R2P–PR2) with dichalcogenides (R′E–ER′, E = O, S, Se, Te). Dalton Transactions 51 (22), pp.8906–8913. (10.1039/D2DT01093C)
- Brehm, J. et al. 2022. The direct synthesis of hydrogen peroxide over AuPd nanoparticles: an investigation into metal loading. Catalysis Letters 152 , pp.254-262. (10.1007/s10562-021-03632-6)
- Bryce, R. A. and Platts, J. A. 2022. From the archives: the origins of a society and a journal for the field of molecular graphics and modelling. Journal of Molecular Graphics and Modelling 117 108308. (10.1016/j.jmgm.2022.108308)
- Campisi, S. et al., 2022. Furfural adsorption and hydrogenation at the oxide-metal interface: evidence of the support influence on the selectivity of iridium-based catalysts. ChemCatChem 14 (6) e202101700. (10.1002/cctc.202101700)
- Cardella, D. et al. 2022. Effect of trimethine cyanine dye- and folate-conjugation on the in vitro biological activity of proapoptotic peptides. Biomolecules 12 (5) 725. (10.3390/biom12050725)
- Carter, J. H. et al. 2022. Reversible growth of gold nanoparticles in the low-temperature water-gas shift reaction. ACS Nano (10.1021/acsnano.2c06504)
- Cerasale, D. J. , Ward, D. C. and Easun, T. L. 2022. MOFs in the time domain. Nature Reviews Chemistry 6 , pp.9-30. (10.1038/s41570-021-00336-8)
- Chaudhuri, S. et al., 2022. Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces. Communications Materials 3 (1) 6. (10.1038/s43246-022-00228-4)
- Chávez-Sifontes, M. et al., 2022. The promoter effect of Nb species on the catalytic performance of Ir-based catalysts for VOCs total oxidation. Journal of Environmental Chemical Engineering 10 (5) 108261. (10.1016/j.jece.2022.108261)
- Chen, B. et al., 2022. The reaction pathways of 5-hydroxymethylfurfural conversion in a continuous flow reactor using copper catalysts. Catalysis Science & Technology 12 (9), pp.3016-3027. (10.1039/D1CY02197D)
- Cheruiyot, D. et al., 2022. Field evaluation of a new third generation push-pull technology for control of striga weed, stemborers, and fall armyworm in western Kenya. Experimental Agriculture 57 (5-6), pp.301-315. (10.1017/S0014479721000260)
- Chong, M. W. S. et al., 2022. A coordination network featuring two distinct copper(II) coordination environments for highly selective acetylene adsorption. Chemistry - A European Journal e202201188. (10.1002/chem.202201188)
- Cooper, A. , Golunski, S. and Taylor, S. H. 2022. The effect of potassium inclusion in a silver catalyst for N2O-mediated oxidation of soot in oxidising exhaust gases. Catalysts 12 (7) 753. (10.3390/catal12070753)
- Costa, D. C. S. et al., 2022. A stereoselective, base-free, palladium-catalyzed heck coupling between 3-halo-1,4-naphthoquinones and vinyl-1H-1,2,3-triazoles. ChemistrySelect 7 (24) e202201334. (10.1002/slct.202201334)
- Coulson, B. A. and Hatcher, L. E. 2022. Exploring the influence of polymorphism and chromophore co-ligands on linkage isomer photoswitching in [Pd(bpy4dca)(NO2)2]. CrystEngComm 24 (20), pp.3701-3714. (10.1039/D2CE00213B)
- Craco, L. and Leoni, S. 2022. Orbital selectivity in the normal state of KFe(2)Se(2) superconductor. European Physical Society Letters 136 (2) 27002. (10.1209/0295-5075/ac3f16)
- Crawley, J. W. M. et al. 2022. Heterogeneous trimetallic nanoparticles as catalysts. Chemical Reviews 122 (6), pp.6795-6849. (10.1021/acs.chemrev.1c00493)
- Dasgupta, A. et al. 2022. Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids. Catalysis Science & Technology (10.1039/D2CY01441F)
- Dasgupta, A. et al. 2022. Lewis acid assisted Brønsted acid catalysed decarbonylation of Isocyanates: a combined DFT and experimental study. Chemistry - A European Journal e202201422. (10.1002/chem.202201422)
- Dasgupta, A. et al. 2022. Borane catalyzed selective diazo cross-coupling towards pyrazoles. Advanced Synthesis & Catalysis 364 (4), pp.773-780. (10.1002/adsc.202101312)
- Dashti Najafi, M. et al., 2022. High-performance symmetric supercapacitor based on new functionalized graphene oxide composites with pyrimidine nucleotide and nucleoside. Journal of Molecular Liquids 348 118381. (10.1016/j.molliq.2021.118381)
- Davies, P. R. R. and Davies-Jones, J. 2022. Photo induced Force Microscopy: chemical spectroscopy beyond the diffraction limit. Materials Chemistry Frontiers 6 (12), pp.1552-1573. (10.1039/D2QM00040G)
- Davies, T. E. et al. 2022. Experimental methods in chemical engineering: Scanning electron microscopy and X-ray ultra-microscopy—SEM and XuM. Canadian Journal of Chemical Engineering (10.1002/cjce.24405)
- Davies-Smith, C. A. et al. 2022. A study of the volatilisation of coal sulphur during combustion under conditions similar to a blast furnace raceway. Fuel 330 125552. (10.1016/j.fuel.2022.125552)
- Dedovets, D. et al., 2022. Microfluidic device for monitoring catalytic events on armored bubbles. Advanced Materials Interfaces 2200759. (10.1002/admi.202200759)
- Dedovets, D. et al., 2022. Multiphase microreactors based on liquid-liquid and gas-liquid dispersions stabilized by colloidal catalytic particles. Angewandte Chemie International Edition 61 (4) e202107537. (10.1002/anie.202107537)
- Delarmelina, M. et al. 2022. Design of CO2 hydrogenation catalysts based on phosphane/borane frustrated Lewis pairs and xanthene-derived scaffolds. Catalysis Communications 162 106385. (10.1016/j.catcom.2021.106385)
- Delarmelina, M. and Catlow, C. R. A. 2022. Cation-doping strategies for tuning of zirconia acid?base properties. Royal Society Open Science 9 (2) 211423. (10.1098/rsos.211423)
- Deyerling, J. et al., 2022. On-surface synthesis of rigid benzenoid- and nonbenzenoid-coupled porphyrin–graphene nanoribbon hybrids. Journal of Physical Chemistry C 126 (19), pp.8467–8476. (10.1021/acs.jpcc.2c00912)
- Douthwaite, M. et al. 2022. Transfer hydrogenation of methyl levulinate with methanol to gamma valerolactone over Cu-ZrO2: A sustainable approach to liquid fuels. Catalysis Communications 164 106430. (10.1016/j.catcom.2022.106430)
- Dummer, N. F. et al. 2022. Investigating the preparation of Cu3Mo2O9 as a photocatalyst. Catalysis Communications 163 106414. (10.1016/j.catcom.2022.106414)
- Esmaili, H. et al., 2022. TiO2 nanoarrays modification by a novel Cobalt-heteroatom doped graphene complex for photoelectrochemical water splitting: An experimental and theoretical study. Journal of Molecular Liquids 356 118960. (10.1016/j.molliq.2022.118960)
- Evans, C. D. et al. 2022. Perovskite supported catalysts for the selective oxidation of glycerol to tartronic acid. Catalysis Letters (10.1007/s10562-022-04111-2)
- Fadhil, M. et al., 2022. Synthesis of new Norfloxacin-Tin complexes to mitigate the effect of ultraviolet-visible irradiation in polyvinyl chloride films. Polymers 14 (14) 2812. (10.3390/polym14142812)
- Farkas, B. and de Leeuw, N. H. 2022. AuCo nanoparticles: ordering, magnetisation, and morphology trends predicted by DFT. Physical Chemistry Chemical Physics 24 (17), pp.10451-10464. (10.1039/D2CP00648K)
- Farkas, B. et al. 2022. First-principles DFT insights into the stabilization of zinc diphosphide (ZnP2) nanocrystals via surface functionalization by 4-aminothiophenol for photovoltaic applications. ACS Applied Energy Materials 5 (2), pp.2318-2328. (10.1021/acsaem.1c03804)
- Faulkner, C. and de Leeuw, N. H. 2022. In silico studies of the interactions between propofol and fentanyl using Gaussian accelerated molecular dynamics. Journal of Biomolecular Structure and Dynamics 40 (1), pp.312-324. (10.1080/07391102.2020.1814415)
- Fawazy, N. G. et al., 2022. Development of spiro-3-indolin-2-one containing compounds of antiproliferative and anti-SARS-CoV-2 properties. Scientific Reports 12 (1) 13880. (10.1038/s41598-022-17883-9)
- Feng, A. et al., 2022. Foams stabilized by Aquivion TM PFSA: Application to interfacial catalysis for cascade reactions. Advanced Materials Interfaces 2200380. (10.1002/admi.202200380)
- Feng, A. et al., 2022. Organic foams stabilized by Biphenyl-bridged organosilica particles. Journal of Colloid and Interface Science 617 , pp.171-181. (10.1016/j.jcis.2022.02.034)
- Fernández, Y. et al., 2022. In vivo Antitumor and ametastatic efficacy of a polyacetal-based paclitaxel conjugate for prostate cancer therapy. Advanced Healthcare Materials 11 (7) 2101544. (10.1002/adhm.202101544)
- Flack, T. et al. 2022. Many-particle Li Ion dynamics in LiMPO4 olivine phosphates (M = Mn, Fe). Journal of Physical Chemistry C 126 (30), pp.12339-12347. (10.1021/acs.jpcc.2c02013)
- Fletcher-Charles, J. et al. 2022. Oxygen-Doped PAH Electrochromes: Difurano, Dipyrano, and Furano-Pyrano Containing Naphthalene-Cored Molecules. European Journal of Organic Chemistry 2 e202101166. (10.1002/ejoc.202101166)
- Fortunato, G. V. et al., 2022. Analysing the relationship between the fields of thermo- and electrocatalysis taking hydrogen peroxide as a case study. Nature Communications 13 1973. (10.1038/s41467-022-29536-6)
- Francis, S. et al. 2022. Ostwald ripening microkinetic simulation of Au clusters on MgO(0 0 1). Applied Surface Science 572 151317. (10.1016/j.apsusc.2021.151317)
- Fuchs, L. K. et al. 2022. Genetic manipulation of biosynthetic pathways in mint. Frontiers in Plant Science 13 928178. (10.3389/fpls.2022.928178)
- Galmés, M. À. et al., 2022. Computational design of an amidase by combining the best electrostatic features of two promiscuous hydrolases. Chemical Science 13 (17), pp.4779-4787. (10.1039/D2SC00778A)
- Garcia Millan, T. et al., 2022. Small variations in reaction conditions tunes carbon dot fluorescence. Nanoscale 14 (18), pp.6930-6940. (10.1039/D2NR01306A)
- Gendron, T. et al., 2022. multi‐patient dose synthesis of [18F]Flumazenil via a copper‐mediated 18F‐fluorination. EJNMMI Radiopharmacy and Chemistry 7 5. (10.1186/s41181-022-00158-z)
- Ghanim, A. M. et al., 2022. Design and synthesis of ibuprofen-quinoline conjugates as potential anti-inflammatory and analgesic drug candidates. Bioorganic Chemistry 119 105557. (10.1016/j.bioorg.2021.105557)
- Gökce, H. et al., 2022. Quantum Computational Investigation of (E)-1-(4-methoxyphenyl)-5-methyl-N?-(3-phenoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide. Molecules 27 (7) 2193. (10.3390/molecules27072193)
- Gorbunov, V. A. et al., 2022. Metal-organic coordination networks on a titanium carbide MXene: DFT based grand canonical Monte Carlo simulation. Applied Surface Science 598 153834. (10.1016/j.apsusc.2022.153834)
- Guerzoni, M. G. , van Ingen, Y. and Melen, R. L. 2022. Recent applications of fluorinated arylborane derivatives. In: Advances in Organometallic Chemistry. Vol. 78, Academic Press. , pp.133-187. (10.1016/bs.adomc.2022.03.004)
- Guest, C. et al., 2022. Using trained dogs and organic semi-conducting sensors to identify asymptomatic and mild SARS-CoV-2 infections: an observational study. Journal of Travel Medicine 29 (3) taac043. (10.1093/jtm/taac043)
- Hareram, M. D. et al., 2022. Electrochemical deconstructive functionalization of cycloalkanols via alkoxy radicals enabled by proton-coupled Electron transfer. Organic Letters 24 (21), pp.3890-3895. (10.1021/acs.orglett.2c01552)
- Harris, K. D. M. 2022. Circumventing a challenging aspect of crystal structure determination from powder diffraction data. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 78 (2), pp.96-99. (10.1107/S2052520622003717)
- Hatcher, L. E. et al. 2022. LED-pump-X-ray-multiprobe crystallography for sub-second timescales. Communications Chemistry 5 (1) 102. (10.1038/s42004-022-00716-1)
- Hawkins, B. A. et al., 2022. An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization. RSC Advances 12 (25) 15670. (10.1039/D1RA08389A)
- Hawkins, B. A. et al., 2022. Exploring the excited-state charge transfer fluorescence profile of 7-hydroxycoumarin and 2-methylimidazole – a combined X-ray diffraction and theoretical approach. Physical Chemistry Chemical Physics 24 (21), pp.13015-13025. (10.1039/D2CP01235A)
- Hernández-Soto, M. et al., 2022. Bifunctional hybrid organosiliceous catalysts for aldol condensation - hydrogenation tandem reactions of furfural in continuous-flow reactor. Applied Catalysis A: General 643 118710. (10.1016/j.apcata.2022.118710)
- Huang, X. et al. 2022. Au-Pd separation enhances bimetallic catalysis of alcohol oxidation. Nature 603 , pp.271-275. (10.1038/s41586-022-04397-7)
- Hutchings, G. J. et al. 2022. Facile synthesis of a porous 3D g-C3N4 photocatalyst for the degradation of organics in shale gas brines. Catalysis Communications 169 106480. (10.1016/j.catcom.2022.106480)
- Jiang, Z. et al., 2022. Modulating the electronic metal-support interactions in single-atom Pt1−CuO catalyst for boosting acetone oxidation. Angewandte Chemie International Edition 61 (28) e202200763. (10.1002/anie.202200763)
- Jones, A. 2022. The application of mechanochemical techniques towards organic synthesis and catalysis. PhD Thesis , Cardiff University.
- Kaehler, T. et al. 2022. Borane promoted aryl transfer reaction for the synthesis of α-aryl functionalised β-hydroxy and β-keto esters. Organic and Biomolecular Chemistry 20 (21), pp.4298-4302. (10.1039/D2OB00643J)
- Kariuki, B. M. et al. 2022. Intermolecular interactions of 3,5-bis(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide in a cocrystal with 1,3-bis(4-Methoxyphenyl)prop-2-en-1-one and dimethylformamide solvate. Crystals 12 (5) 663. (10.3390/cryst12050663)
- Kariuki, B. M. et al. 2022. Synthesis and structure determination of 2-cyano-3-(1-phenyl-3-(thiophen-2-yl)-1 H -pyrazol-4-yl)acrylamide. Molbank 2022 (2) eM1372. (10.3390/m1372)
- Kariuki, B. M. et al. 2022. 4-((5-(1-(4-Fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl)-1,3,4-thiadiazol-2-yl)amino)benzenesulfonic acid: unexpected synthesis, structure elucidation and antimicrobial activity. Phosphorus, Sulfur, and Silicon and the Related Elements (10.1080/10426507.2022.2099858)
- Kayumova, T. R. , Myshlyavtsev, A. V. and Stishenko, P. V. 2022. Phase diagrams of the terminating oxygen layer on MXenes M2CO sheets (M = Ti, V, Nb). Journal of Physics: Conference Series 2182 (1) 12075. (10.1088/1742-6596/2182/1/012075)
- Kayumova, T. R. et al., 2022. Surface hydrogenation of oxygen terminated MXenes M2CO2 (M = Ti, V, Nb). Surface Science 717 121984. (10.1016/j.susc.2021.121984)
- Keal, T. et al., 2022. Materials and molecular modelling at the Exascale. Computing in Science and Engineering 24 (1), pp.36-45. (10.1109/MCSE.2022.3141328)
- Khan, A. Z. et al., 2022. A comparative study on the stability of the furfural molecule on the low index Ni, Pd and Pt surfaces. Royal Society Open Science 9 (3) 211516. (10.1098/rsos.211516)
- Khan, N. , Itaya, K. and Wirth, T. 2022. Chiral iodotriptycenes: synthesis and catalytic applications. ChemistryOpen 11 (8) e202200158. (10.1002/open.202200158)
- Khan, N. , Itaya, K. and Wirth, T. 2022. Chiral iodotriptycenes: Synthesis and catalytic applications. ChemistryOpen 11 (7) e202200145. (10.1002/open.202200145)
- Knowles, P. J. 2022. The determination of point groups from imprecise molecular geometries. Journal of Mathematical Chemistry 60 , pp.161-171. (10.1007/s10910-021-01302-x)
- Knowles, P. J. 2022. Perturbation-adapted perturbation theory. The Journal of Chemical Physics 156 11101. (10.1063/5.0079853)
- Kowalec, I. et al. 2022. A computational study of direct CO2 hydrogenation to methanol on Pd surfaces. Physical Chemistry Chemical Physics 24 (16), pp.9360-9373. (10.1039/D2CP01019D)
- Kumar, S. A. et al., 2022. Facile green synthesis of magnesium oxide nanoparticles using tea (Camellia sinensis) extract for efficient photocatalytic degradation of methylene blue dye. Environmental Technology and Innovation 28 102746. (10.1016/j.eti.2022.102746)
- Kustiana, B. A. et al. 2022. B(C 6 F 5 ) 3 ‐Catalyzed E ‐selective isomerization of alkenes. Chemistry - A European Journal e202202454. (10.1002/chem.202202454)
- Kuveke, R. E. H. et al., 2022. An international study evaluating elemental analysis. ACS Central Science 8 (7), pp.855-863. (10.1021/acscentsci.2c00325)
- Lahiri, A. et al., 2022. Impact of different metallic forms of nickel on hydrogen evolution reaction. Scripta Materialia 218 114829. (10.1016/j.scriptamat.2022.114829)
- Lan, L. et al., 2022. Effect of ball-milling pretreatment of cellulose on Its photoreforming for H2 production. ACS Sustainable Chemistry and Engineering 10 (15), pp.4862-4871. (10.1021/acssuschemeng.1c07301)
- Latham, D. 2022. Exploring new directions in homogeneous catalytic (De)hydrogenation chemistry. PhD Thesis , Cardiff University.
- Lawes, N. et al. 2022. Methanol synthesis from CO2 and H2 using supported Pd alloy catalysts.. Faraday Discussions (10.1039/D2FD00119E)
- Lewis, R. J. et al. 2022. N-heterocyclic carbene modified palladium catalysts for the direct synthesis of hydrogen peroxide. Journal of the American Chemical Society 144 (34), pp.15431-15436. (10.1021/jacs.2c04828)
- Lewis, R. J. et al. 2022. N-Heterocyclic carbene modified palladium catalysts for the direct synthesis of hydrogen peroxide. Journal of the American Chemical Society 144 (34), pp.15431-15436. (10.1021/jacs.2c04828)
- Lewis, R. J. et al. 2022. Highly efficient catalytic production of oximes from ketones using in situ–generated H2O2. Science 376 (6593), pp.615-620. (10.1126/science.abl4822)
- Lezcano-González, I. et al., 2022. Structure-activity relationships in highly active Platinum-Tin MFI-type Zeolite catalysts for propane dehydrogenation. ChemCatChem 14 (7) e202101828. (10.1002/cctc.202101828)
- Li, L. et al., 2022. Evolution of bismuth-based metal?organic frameworks for efficient electroreduction of CO2. Journal of Materials Chemistry A: materials for energy and sustainability 10 (34), pp.17801-17807. (10.1039/D2TA04485D)
- Liu, T. et al., 2022. Insight into the Fergusonite–Scheelite phase transition of ABO4-type oxides by density functional theory: a case study of the subtleties of the ground state of BiVO4. Chemistry of Materials 34 (12), pp.5334–5343. (10.1021/acs.chemmater.1c04417)
- Lu, X. 2022. H2 production: Formulation of catalysts promoting the decomposition of carbon-free hydrogen carriers. PhD Thesis , Cardiff University.
- Ma, Y. et al., 2022. Direct observation of ammonia storage in UiO-66 incorporating Cu(II) binding sites. Journal of the American Chemical Society 144 (19), pp.8624-8632. (10.1021/jacs.2c00952)
- Magri, G. , Folli, A. and Murphy, D. M. 2022. Monitoring the substrate-induced spin-state distribution in a Cobalt(II)-Salen complex by EPR and DFT. European Journal of Inorganic Chemistry 2022 (9) e202101071. (10.1002/ejic.202101071)
- Makgae, O. A. et al., 2022. Atomic structure and valence state of cobalt nanocrystals on carbon under syngas versus hydrogen reduction. Journal of Physical Chemistry C 126 (14), pp.6325-6333. (10.1021/acs.jpcc.2c00482)
- Mali, S. S. et al., 2022. Terbium-doped and dual-passivated γ-CsPb(I1−x Brx )3 inorganic perovskite solar cells with improved air thermal stability and high efficiency. Advanced Materials (10.1002/adma.202203204)
- Mandal, S. , Shaw, G. and Williams, O. A. 2022. Comparison of nanodiamond coated quartz filter with commercial electropositive filters: Zeta potential and dye retention study. Carbon 199 , pp.439-443. (10.1016/j.carbon.2022.08.021)
- Mandal, S. et al., 2022. Band gap engineering of amine functionalized Ag(I)-based coordination polymers and their plasmonic Ag0 coupled novel visible light driven photo-redox system for selective oxidation of benzyl alcohol. Applied Catalysis B: Environmental 303 120821. (10.1016/j.apcatb.2021.120821)
- Maunder, R. 2022. Disposable nappies to fine chemicals. PhD Thesis , Cardiff University.
- McLaren, R. L. , Owen, G. R. and Morgan, D. J. 2022. Analysis induced reduction of a polyelectrolyte. Results in Surfaces and Interfaces 6 100032. (10.1016/j.rsurfi.2021.100032)
- Meng, F. et al., 2022. Mesoporous nano Ni-Al2O3 catalyst for CO2 methanation in a continuously stirred tank reactor. Catalysis Communications 164 106437. (10.1016/j.catcom.2022.106437)
- Mensah, M. et al. 2022. A DFT mechanistic study on base-catalyzed cleavage of the β-o-4 ether linkage in lignin: implications for selective lignin depolymerization. Frontiers in Chemistry 10 793759. (10.3389/fchem.2022.793759)
- Miedziak, P. J. et al. 2022. The over-riding role of autocatalysis in alllylic oxidation. Catalysis Letters 152 , pp.1003-1008. (10.1007/s10562-021-03707-4)
- Minova, I. B. et al., 2022. Carbene-like reactivity of methoxy groups in a single crystal SAPO-34 MTO catalyst. Catalysis Science & Technology 12 (7), pp.2289-2305. (10.1039/D1CY02361F)
- Moeini, B. et al., 2022. Definition of a new (Doniach-Sunjic-Shirley) peak shape for fitting asymmetric signals applied to reduced graphene oxide/graphene oxide XPS spectra. Surface and Interface Analysis 54 (1), pp.67-77. (10.1002/sia.7021)
- Mohamed, H. A. et al., 2022. Synthesis and antimicrobial activity of 2,5-bis(Pyrazol-3-yl or Triazol-4-yl)-1,3,4-oxadiazoles. Heterocycles 104 (7), pp.1293-1302. (10.3987/COM-22-14676)
- Monteleone, M. et al., 2022. Advanced methods for analysis of mixed gas diffusion in polymeric membranes. Journal of Membrane Science 648 120356. (10.1016/j.memsci.2022.120356)
- Morgan, D. J. and Uthayasekaran, S. 2022. Revisiting degradation in the XPS analysis of polymers. Surface and Interface Analysis (10.1002/sia.7151)
- Morteo Flores, F. 2022. Catalysts design for biomass conversion. PhD Thesis , Cardiff University.
- Morteo Flores, F. and Roldan Martinez, A. 2022. Mechanisms and trends of guaiacol hydrodeoxygenation on transition metal catalysts. Frontiers in Catalysis 2 861364. (10.3389/fctls.2022.861364)
- Morteo-Flores, F. and Roldan, A. 2022. The effect of pristine and hydroxylated oxide surfaces on the guaiacol HDO process: A DFT study. ChemPhysChem 23 (1) e202100583. (10.1002/cphc.202100583)
- Mugford, K. S. 2022. Gas-phase conversion of glycerol to methanol over magnesium oxide catalysts. PhD Thesis , Cardiff University.
- Murtaza, A. et al., 2022. Renewable electricity enables green routes to fine chemicals and pharmaceuticals. Chemical Record 22 (5) e202100296. (10.1002/tcr.202100296)
- Nieva de la Hidalga, A. et al. 2022. A workflow demonstrator for processing catalysis research data. Data Intelligence 4 (2), pp.455-470. (10.1162/dint_a_00143)
- Nieva de la Hidalga, A. et al. 2022. Designing a data infrastructure for catalysis science aligned to FAIR data principles. Catalysis Communications 162 106384. (10.1016/j.catcom.2021.106384)
- Nieva De La Hidalga, A. et al. 2022. Cross-validation of a semantic segmentation net-work for natural history collection specimens. Machine Vision and Applications 33 39. (10.1007/s00138-022-01276-z)
- Nyepetsi, M. et al. 2022. Understanding the interactions between triolein and cosolvent binary mixtures using molecular dynamics simulations. ACS Omega 7 (12), pp.10212–10224. (10.1021/acsomega.1c06762)
- O'Neill, M. F. , Meenakshisundaram, S. and Hintermair, U. 2022. Sustainable synthesis of dimethyl- and diethyl carbonate from CO2 in batch and continuous flow─lessons from thermodynamics and the importance of catalyst stability. ACS Sustainable Chemistry and Engineering 10 (16), pp.5243–5257. (10.1021/acssuschemeng.2c00291)
- Ososki, G. 2022. Optimising spin-coated titanium dioxide photocatalysts. PhD Thesis , Cardiff University.
- Osypiw, A. et al. 2022. Solution-processed colloidal quantum dots for light emission. Materials Advances (10.1039/D2MA00375A)
- Pandit, B. et al., 2022. One-pot hydrothermal preparation of hierarchical manganese oxide nanorods for high-performance symmetric supercapacitors. Journal of Energy Chemistry 65 , pp.116-126. (10.1016/j.jechem.2021.05.028)
- Paris, C. B. et al. 2022. Impact of the experimental parameters on catalytic activity when preparing polymer protected bimetallic nanoparticle catalysts on activated carbon. ACS Catalysis 12 , pp.4440–4454. (10.1021/acscatal.1c05904)
- Pascoe, M. et al. 2022. The Cathinone Hydra: Increased cathinone and caffeine adulteration in the English MDMA market after Brexit and COVID-19 lockdowns. Drug Science, Policy and Law (10.1177/20503245221099209)
- Pascoe, M. J. et al. 2022. Impact of material properties in determining quaternary ammonium compound adsorption and wipe product efficacy against biofilms. Journal of Hospital Infection 126 , pp.37-43. (10.1016/j.jhin.2022.03.013)
- Patabandi Mudiyanselage, A. 2022. Computational studies of the initial stages in TiO2-MOF interface formation. MPhil Thesis , Cardiff University.
- Pinsk, N. et al., 2022. Biogenic guanine crystals are solid solutions of guanine and other purine metabolites. Journal of the American Chemical Society 144 (11), pp.5180-5189. (10.1021/jacs.2c00724)
- Pokhrel, T. et al., 2022. C-H bond functionalization under electrochemical flow conditions. Chemical Record 22 (6) e202100338. (10.1002/tcr.202100338)
- Pudge, G. J. F. et al. 2022. Iron molybdate catalysts synthesised via dicarboxylate decomposition for the partial oxidation of methanol to formaldehyde. Catalysis Science & Technology (10.1039/D2CY00699E)
- Qi, G. et al., 2022. Au-ZSM-5 catalyses the selective oxidation of CH4 to CH3OH and CH3COOH using O2. Nature Catalysis 5 , pp.45–54. (10.1038/s41929-021-00725-8)
- Qiu, C. et al., 2022. Resolving the effect of oxygen vacancies on Co nanostructures using soft XAS/X-PEEM. ACS Catalysis 12 (15), pp.9125–9134. (10.1021/acscatal.2c00611)
- Richards, N. et al. 2022. Effect of the preparation method of LaSrCoFeOx perovskites on the activity of N2O decomposition. Catalysis Letters 152 , pp.213-226. (10.1007/s10562-021-03619-3)
- Richards, T. 2022. The application of heterogenous supported catalysts for the treatment of greywater via in-situ generated H2O2. PhD Thesis , Cardiff University.
- Richards, T. et al. 2022. The direct synthesis of Hydrogen Peroxide over supported Pd-based catalysts: an investigation into the role of the support and secondary metal modifiers. Catalysis Letters (10.1007/s10562-022-03967-8)
- Rogers, H. , Daniel, I. T. and Freakley, S. J. 2022. Acceptorless dehydrogenation of 1-phenylethanol using Pd/TiO2 catalysts prepared by sol immobilisation. Catalysis Communications 162 106377. (10.1016/j.catcom.2021.106377)
- Rokade, A. et al., 2022. Realization of electrochemically grown a-Fe2O3 thin films for photoelectrochemical water splitting application. Engineered Science 17 , pp.242-255. (10.30919/es8d532)
- Romartinez-Alonso, B. et al., 2022. Structure-guided approach to relieving transcriptional repression inResistance to Thyroid Hormone α. Molecular and Cellular Biology 42 (2) e00363-21. (10.1128/MCB.00363-21)
- Rondiya, S. R. et al. 2022. Solution-processed Cd-substituted CZTS nanocrystals for sensitized liquid junction solar cells. Journal of Alloys and Compounds 890 161575. (10.1016/j.jallcom.2021.161575)
- Rundle, J. 2022. Intrinsic and extrinsic reduction of SnX tin chalcogenide (X=S, Se) lattice thermal conductivity through heterostructure layering. PhD Thesis , Cardiff University.
- Rundle, J. and Leoni, S. 2022. Layered tin chalcogenides SnS and SnSe: lattice thermal conductivity benchmarks and thermoelectric figure of merit. Journal of Physical Chemistry C 126 (33), pp.14036–14046. (10.1021/acs.jpcc.2c02401)
- Ryník, M. , Leoni, S. and Martonák, R. 2022. Pressure-induced structural transformation of clathrate Ge136 via ultrafast recrystallization of an amorphous intermediate. Physical Review B 105 (13) 134107. (10.1103/PhysRevB.105.134107)
- Sabry, E. et al., 2022. Microwave-assisted synthesis of novel sulfonamide-based compounds bearing α-aminophosphonate and their antimicrobial properties. Journal of Molecular Structure 1266 133553. (10.1016/j.molstruc.2022.133553)
- Saleh, T. A. et al., 2022. Monitoring physicochemical properties of transparent PVC films containing captopril and metal oxide nanoparticles to assess UV blocking. Journal of Polymer Research 29 (6) 249. (10.1007/s10965-022-03097-0)
- Santos, A. et al. 2022. The oxidative degradation of phenol via in situ H2O2 synthesis using Pd supported Fe-modified ZSM-5 catalysts. Catalysis Science & Technology 12 (9), pp.2943-2953. (10.1039/D2CY00283C)
- Santos Gomes, B. et al. 2022. Biofunctionalisation of gallium arsenide with neutravidin. Journal of Colloid and Interface Science 608 (P3), pp.2399-2406. (10.1016/j.jcis.2021.10.135)
- Sap, J. B. I. et al., 2022. [18F]Difluorocarbene for Positron Emission Tomography. Nature 606 , pp.102-108. (10.1038/s41586-022-04669-2)
- Sarabadani Tafreshi, S. et al., 2022. A first-principles study of CO2 hydrogenation on a Niobium-Terminated NbC (111) surface. ChemPhysChem 23 (6) e202100781. (10.1002/cphc.202100781)
- Saud, Z. et al. 2022. The SARS-CoV2 envelope differs from host cells, exposes pro-coagulant lipids, and is disrupted in vivo by oral rinses. Journal of Lipid Research 63 (6) 100208. (10.1016/j.jlr.2022.100208)
- Savva, L. and Platts, J. A. 2022. Evaluation of implicit solvent models in molecular dynamics simulation of α-Synuclein. Journal of Biomolecular Structure and Dynamics (10.1080/07391102.2022.2082534)
- Sawicka, N. et al. 2022. Long-lived, near-IR emission from Cr(iii) under ambient conditions. Chemical Communications 58 (38), pp.5733-5736. (10.1039/D2CC01434C)
- Sayers, E. J. et al. 2022. Quantitative subcellular analysis of cyclic cell-penetrating peptide EJP18 in nonadherent cells. In: Cell Penetrating Peptides. Vol. 2383, Methods in Molecular Biology book series Springer. , pp.211-228. (10.1007/978-1-0716-1752-6_14)
- Schiesser, S. et al., 2022. Discovery and optimization of cyclohexane-1,4-diamines as allosteric MALT1 inhibitors. European Journal of Medicinal Chemistry 227 113925. (10.1016/j.ejmech.2021.113925)
- Seastram, A. C. et al. 2022. Electrochemical alkene azidocyanation via 1,4-nitrile migration. Chemical Communications (10.1039/D2CC02958H)
- Selli, D. , Donadio, D. and Leoni, S. 2022. PbTe/PbSe thermoelectric nanocomposites: the impact of length modulations on lowering thermal conductivity. Journal of Inorganic and General Chemistry e202200048. (10.1002/zaac.202200048)
- Sharma, P. et al. 2022. Enhanced H2O2 production via photocatalytic O2 reduction over structurally-modified poly(heptazine imide). Chemistry of Materials 34 (12), pp.5511-5521. (10.1021/acs.chemmater.2c00528)
- Shaw, M. S. et al. 2022. Metallocene catalysts for the ring-opening co-polymerisation of epoxides and cyclic anhydrides. Polymer Chemistry 13 (22), pp.3315-3324. (10.1039/D2PY00335J)
- Showering, A. et al., 2022. Skin microbiome alters attractiveness to Anopheles mosquitoes. BMC Microbiology 22 98. (10.1186/s12866-022-02502-4)
- Silveri, F. et al. 2022. Catalytic reduction of carbon dioxide on the (001), (011), and (111) surfaces of TiC and ZrC: a computational study. Journal of Physical Chemistry C 126 (11), pp.5138–5150. (10.1021/acs.jpcc.1c10180)
- Smalley, C. et al. 2022. A structure determination protocol based on combined analysis of 3D-ED data, powder XRD data, solid-state NMR data and DFT-D calculations reveals the structure of a new polymorph of L-tyrosine. Chemical Science 13 (18), pp.5277-5288. (10.1039/D1SC06467C)
- Smalley, C. J. H. et al. 2022. Solid-state structural properties of alloxazine determined from powder XRD data in conjunction with DFT-D calculations and solid-state NMR spectroscopy: unraveling the tautomeric identity and pathways for tautomeric interconversion. Crystal Growth and Design 22 (1), pp.524-534. (10.1021/acs.cgd.1c01114)
- Smallwood, Z. M. et al., 2022. Design and delivery of a graduate teaching assistant (GTA) program in a UK university: experiences and perspectives. Journal of Chemical Education 99 (2), pp.592–602. (10.1021/acs.jchemed.1c00453)
- Smith, K. et al. 2022. Polybromination of naphthalene using bromine over a montmorillonite clay and regioselective synthesis of 2,6-dibromonaphthalene. ARKIVOC 2022 (5), pp.46-59. (10.24820/ark.5550190.p011.717)
- Smith, L. R. et al. 2022. Recent advances on the valorization of glycerol into alcohols. Energies 15 (17) e6250. (10.3390/en15176250)
- Soldatova, N. S. et al., 2022. Zwitterionic iodonium species afford halogen bond-based porous organic frameworks. Chemical Science 13 (19), pp.5650-5658. (10.1039/D2SC00892K)
- Spear, L. A. et al. 2022. Selective inhibition of cysteine-dependent enzymes by bioorthogonal tethering. Journal of Molecular Biology (10.1016/j.jmb.2022.167524)
- Stewart, J. et al., 2022. Simple Zn(ii) complexes for the production and degradation of polyesters. RSC Advances 12 (3), pp.1416-1424. (10.1039/D1RA09087A)
- Sun, S. et al., 2022. Ni/support-CaO bifunctional combined materials for integrated CO2 capture and reverse water-gas shift reaction: Influence of different supports. Separation and Purification Technology 298 121604. (10.1016/j.seppur.2022.121604)
- Sun, S. et al. 2022. Selective oxidation of methane to methanol and methyl hydroperoxide over palladium modified MoO3 photocatalyst under ambient conditions. Catalysis Science & Technology 12 (11), pp.3727-3736. (10.1039/D2CY00240J)
- Sun, S. et al., 2022. Integrated CO2 capture and methanation on Ru/CeO2-MgO combined materials: Morphology effect from CeO2 support. Fuel 317 123420. (10.1016/j.fuel.2022.123420)
- Taylor, R. L. et al. 2022. The influence of solvent composition on the coordination environment of the Co/Mn/Br based para-xylene oxidation catalyst as revealed by EPR and ESEEM spectroscopy. Catalysis Science & Technology (10.1039/D2CY00496H)
- Taylor, S. et al. 2022. Selective oxidation of methane to oxygenates using heterogeneous catalysts. In: Li, L. and Hargreaves, J. eds. Heterogeneous Catalysis for Sustainable Energy. Weinheim: Wiley. , pp.183-203.
- Thomas, S. R. et al., 2022. Bottom-up synthesis of water-soluble gold nanoparticles stabilized by N-Heterocyclic carbenes: From structural characterization to applications. Chemistry - A European Journal e202201575. (10.1002/chem.202201575)
- Tigwell, M. et al. 2022. Investigating catalytic properties which influence dehydration and oxidative dehydrogenation in aerobic glycerol oxidation over Pt/TiO2. Journal of Physical Chemistry C 126 (37), pp.15651-15661. (10.1021/acs.jpcc.2c03680)
- Valentini, C. et al. 2022. Customising excitation properties of polycyclic aromatic hydrocarbons by rational positional heteroatom doping: the peri-xanthenoxanthene (PXX) case. Chemical Science 13 (21), pp.6335-6347. (10.1039/D2SC01038K)
- Vidal, M. L. , Manby, F. R. and Knowles, P. J. 2022. Polaritonic effects in the vibronic spectrum of molecules in an optical cavity. The Journal of Chemical Physics 156 (20) 204119. (10.1063/5.0089412)
- Waghmare, A. et al., 2022. Preparation and characterization of γ-In2Se3 thin-film photoanodes for photoelectrochemical water splitting. Journal of Solid State Electrochemistry 26 (1), pp.219-232. (10.1007/s10008-021-05054-1)
- Walkowiak, J. et al., 2022. Hydroelementation of diynes. Chemical Society Reviews 51 (3), pp.869-994. (10.1039/d1cs00485a)
- Wang, X. et al., 2022. Entangled ZnO on ultrathin hollow fibers for UV-aided pollutant decomposition. ACS Applied Materials and Interfaces 14 (8), pp.10769–10781. (10.1021/acsami.1c21554)
- Williams, M. T. J. , Morrill, L. C. and Browne, D. L. 2022. Mechanochemical organocatalysis: do high enantioselectivities contradict what we might expect?. ChemSusChem 15 (2) e202102157. (10.1002/cssc.202102157)
- Xiong, Z. et al. 2022. Biomimetic total synthesis of (−)-galanthamine via intramolecular anodic aryl–phenol coupling. Organic and Biomolecular Chemistry 20 (20), pp.4123-4127. (10.1039/D2OB00669C)
- Xu, S. et al. 2022. Developing silicalite-1 encapsulated Ni nanoparticles as sintering-/coking-resistant catalysts for dry reforming of methane. Chemical Engineering Journal 446 (5) 137439. (10.1016/j.cej.2022.137439)
- Ye, T. et al., 2022. Iron-chromium mixed metal oxides catalyse the oxidative dehydrogenation of propane using carbon dioxide. Catalysis Communications 162 106383. (10.1016/j.catcom.2021.106383)
- Zhang, D. et al., 2022. Photocatalytic abstraction of hydrogen atoms from water using hydroxylated graphitic carbon nitride for hydrogenative coupling reactions. Angewandte Chemie International Edition 134 (24) e202204256. (10.1002/anie.202204256)
- Zhang, S. , Dedovets, D. and Pera Titus, M. 2022. Oil foams stabilized by POSS/organosilica particle assemblies: application for aerobic oxidation of aromatic alcohols. Journal of Materials Chemistry A: materials for energy and sustainability 10 (18), pp.9997-10003. (10.1039/D2TA00667G)
- Zhang, F. et al. 2022. AIE-active macromolecules: designs, performances, and applications. Polymer Chemistry 13 (1), pp.8-43. (10.1039/D1PY01167G)
- Zhang, H. , Cormanich, R. A. and Wirth, T. 2022. Chiral ligands in hypervalent iodine compounds: synthesis and structures of binaphthyl-based λ3-iodanes. Chemistry - A European Journal 28 (5) e202103623. (10.1002/chem.202103623)
- Zhang, H. and Wirth, T. 2022. Oxidation of BINOLs by hypervalent iodine reagents: facile synthesis of xanthenes and lactones. Chemistry - A European Journal 28 (21)(10.1002/chem.202200181)
- Zhang, S. et al., 2022. Pickering interfacial catalysis for aerobic alcohol oxidation in oil foams. Journal of the American Chemical Society 144 (4), pp.1729–1738. (10.1021/jacs.1c11207)
Explore all of our publications through Cardiff University's institutional repository.
