School of Chemistry

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. , Kumar, R. and Jain, S. 2022. An efficient ensemble model for diagnosing covid-19 and pneumonia using chest x-ray images. Indian Journal Of Science And Technology 15 (38), pp.1900-1906. (10.17485/IJST/v15i38.1269)
Agrawal, K. et al. 2022. Dehydrogenation and dehydration of formic acid over orthorhombic molybdenum carbide. Catalysis Today 384-6 , pp.197-208. (10.1016/j.cattod.2021.04.011)
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)
Ahmad, B. B. 2022. Photocatalytic reforming of a glycerol water mixture on Pt/TiO2 catalysts. PhD Thesis , Cardiff University.
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. 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)
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)
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)
Arrigo, R. et al., 2022. Dynamics at polarized carbon dioxide-iron oxyhydroxide interfaces unveil the origin of multicarbon product formation. ACS Catalysis 12 , pp.411-430. (10.1021/acscatal.1c04296)
Avval, T. G. et al., 2022. Practical guide on chemometrics/informatics in x-ray photoelectron spectroscopy (XPS). I. Introduction to methods useful for large or complex datasets. Journal of Vacuum Science and Technology A 40 (6) 63206. (10.1116/6.0002082)
Avval, T. G. et al., 2022. Practical guide on chemometrics/informatics in x-ray photoelectron spectroscopy (XPS). II. Example applications of multiple methods to the degradation of cellulose and tartaric acid. Journal of Vacuum Science and Technology A 40 (6) 63205. (10.1116/6.0001969)
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)
Bailey, L. A. et al. 2022. Preparation of biomass-derived furfuryl acetals by transacetalization reactions catalyzed by nanoporous aluminosilicates. ACS Sustainable Chemistry and Engineering 10 (41), pp.13759–13764. (10.1021/acssuschemeng.2c03968)
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)
Barlow, V. 2022. Identification of bacterial posttranslational modifications that regulate antimicrobial resistance. PhD Thesis , Cardiff University.
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)
Barnes, A. et al. 2022. Improving catalytic activity towards the direct synthesis of H2O2 through Cu incorporation into AuPd catalysts. Catalysts 12 (11) 1396. (10.3390/catal12111396)
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)
Beevers, C. , Francis, S. and Roldan, A. 2022. Symmetry analysis of irregular objects. Journal of Mathematical Chemistry (10.1007/s10910-022-01423-x)
Bell, C. G. et al., 2022. Trainable segmentation for transmission electron microscope images of inorganic nanoparticles. Journal of Microscopy 288 (3), pp.169-184. (10.1111/jmi.13110)
Bellomi, S. et al., 2022. Enhanced stability of sub-nanometric Iridium decorated graphitic carbon nitride for H2 production upon hydrous hydrazine decomposition. Physical Chemistry Chemical Physics (10.1039/D2CP04387D)
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)
Bonello, R. O. et al. 2022. Aryl, bi-functionalised imidazo[4,5-f]-1,10-phenanthroline ligands and their luminescent rhenium(I) complexes. Polyhedron 228 116179. (10.1016/j.poly.2022.116179)
Boucher, A. , Jones, G. and Roldan Martinez, A. 2022. Toward a new definition of surface energy for late transition metals. Physical Chemistry Chemical Physics (10.1039/D2CP04024G)
Bowker, M. et al. 2022. Advancing critical chemical processes for a sustainable future: challenges for industry and the Max Planck-Cardiff centre on the fundamentals of heterogeneous catalysis (funcat). Angewandte Chemie International Edition (10.1002/anie.202209016)
Bowker, 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)
Bramley, G. A. et al. 2022. Understanding adsorption of organics on pt(111) in the aqueous phase: insights from dft based implicit solvent and statistical thermodynamics models. Journal of Chemical Theory and Computation 18 (3), pp.1849-1861. (10.1021/acs.jctc.1c00894)
Branfoot, 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)
Brehm, J. et al., 2022. Enhancing the Chemo-Enzymatic One-Pot Oxidation of Cyclohexane via in situ H2O2 production over supported Pd-based catalysts. ACS Catalysis 12 (19), pp.11776–11789. (10.1021/acscatal.2c03051)
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. 2022. Chemical synthesis of peptides and their biological applications as mitochondria-targeting chemotherapeutics. PhD Thesis , Cardiff University.
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)
Cardella, D. , Tsai, Y. and Luk, L. Y. P. 2022. Towards the use of an amino acid cleavable linker for solid-phase chemical synthesis of peptides and proteins. Organic and Biomolecular Chemistry (10.1039/d2ob02198f)
Carter, J. H. et al. 2022. Reversible growth of gold nanoparticles in the low-temperature water-gas shift reaction. ACS Nano 16 , pp.15197-15205. (10.1021/acsnano.2c06504)
Cerasale, 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)
Chang, Z. et al., 2022. A highly co-tolerant anode pt/ti3c2tx-cnt hybrid catalysts for pemfc. Electrocatalysis 14 , pp.1-8. (10.1007/s12678-022-00768-w)
Chaudhuri, 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 28 (52) 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. , de Arruda, A. S. and Leoni, S. 2022. Emergent normal-state Mottness in the infinite-layer NdNiO 2 superconductor. Physical Review Research 4 (4) 43036. (10.1103/PhysRevResearch.4.043036)
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)
Dambatta, M. 2022. Exploring the borrowing hydrogen methodology using earth abundant metals. PhD Thesis , Cardiff University.
Daniel, I. T. et al. 2022. Kinetic analysis to describe co-operative redox enhancement effects exhibited by bimetallic Au-Pd systems in aerobic oxidation. Catalysis Science & Technology (10.1039/D2CY01474B)
Dasgupta, A. et al. 2022. Chemo- and regio-selective amidation of indoles with isocyanates using borane Lewis acids. Catalysis Science & Technology 12 (19), pp.5982-5990. (10.1039/D2CY01441F)
Dasgupta, A. et al. 2022. Borane catalyzed selective diazo cross-coupling towards pyrazoles. Advanced Synthesis & Catalysis 364 (4), pp.773-780. (10.1002/adsc.202101312)
Dasgupta, A. , Richards, E. and Melen, R. L. 2022. Triarylborane catalyzed carbene transfer reactions using diazo precursors. ACS Catalysis 12 , pp.442-452. (10.1021/acscatal.1c04746)
Dasgupta, A. et al. 2022. Lewis acid assisted Brønsted acid catalysed decarbonylation of Isocyanates: a combined DFT and experimental study. Chemistry - A European Journal 28 (45) e202201422. (10.1002/chem.202201422)
Dashti Najafi, M. et al., 2022. TMP/Pd complex immobilized on graphene oxide for efficient pseudocapacitive energy storage with combined experimental and DFT study. Journal of Molecular Liquids 364 120008. (10.1016/j.molliq.2022.120008)
Dashti Najafi, 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-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)
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 100 (11), pp.3145-3159. (10.1002/cjce.24405)
Dedovets, D. et al., 2022. Microfluidic device for monitoring catalytic events on armored bubbles. Advanced Materials Interfaces 9 (23) 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)
Del Vecchio, A. et al., 2022. Challenges arising from continuous-flow olefin metathesis. Angewandte Chemie International Edition 61 (47) e202209564. (10.1002/anie.202209564)
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)
Dosso, J. et al. 2022. Boron nitride-doped polyphenylenic organogels. Chemistry of Materials 34 (23), pp.10670-10680. (10.1021/acs.chemmater.2c01766)
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)
Dummer, N. F. et al. 2022. Methane oxidation to methanol. Chemical Reviews (10.1021/acs.chemrev.2c00439)
Eaimsumang, S. et al., 2022. Relationship between hydrothermal temperatures and structural properties of CeO2 and enhanced catalytic activity of propene/toluene/CO oxidation by Au/CeO2 catalysts. Frontiers in Chemistry 10 959152. (10.3389/fchem.2022.959152)
Edwards, D. et al. 2022. A rapid scoping review of harm reduction strategies for ecstasy (MDMA) users in recreational settings. [Online].Research Square: Research Square. (10.21203/rs.3.rs-2178425/v1)Available athttps://doi.org/10.21203/rs.3.rs-2178425/v1.
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 and application of levofloxacin–tin complexes as new photostabilizers for polyvinyl chloride. Polymers 14 (18) 3720. (10.3390/polym14183720)
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)
Fang, J. et al., 2022. Ampere-level current density ammonia electrochemical synthesis using CuCo nanosheets simulating nitrite reductase bifunctional nature. Nature Communications 13 (1) 7899. (10.1038/s41467-022-35533-6)
Fang, Z. et al., 2022. MXene (Ti3C2Tx)-Supported Binary Co-, Zn-Doped Carbonas Oxygen Reduction Reaction Catalyst for Anion Exchange Membrane Fuel Cells. Energy Technology 10 (5) 2101168. (10.1002/ente.202101168)
Farkas, 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)
Fayek, M. et al., 2022. Anti-prostate cancer metabolites from the soil-derived Aspergillus neoniveus. Frontiers in Pharmacology 13 1006062. (10.3389/fphar.2022.1006062)
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)
Fitzgerald, S. A. et al. 2022. Organometallic platinum(ii) photosensitisers that demonstrate ligand‐modulated triplet‐triplet annihilation energy upconversion efficiencies. Chemistry - A European Journal e202203241. (10.1002/chem.202203241)
Flack, 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. et al. 2022. Enantioselective applications of frustrated Lewis pairs in organic synthesis. Chem Catalysis 2 (11), pp.2865-2875. (10.1016/j.checat.2022.09.007)
Guerzoni, 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)
Harris, K. D. M. 2022. NMR crystallography as a vital tool in assisting crystal structure determination from powder XRD data. Crystals 12 (9) 1277. (10.3390/cryst12091277)
Hatcher, 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)
Hayes, H. 2022. Investigating the effects of cyclisation on a protein tool and a biocatalyst. PhD Thesis , Cardiff University.
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)
Hesselmann, A. , Werner, H. and Knowles, P. J. 2022. Thermochemical evaluation of adaptive and fixed density functional theory quadrature schemes. The Journal of Chemical Physics 157 (23) 234106. (10.1063/5.0119622)
Huang, 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)
Jiang, F. et al., 2022. Liquid-phase permethylation of diethylenetriamine using methanol over robust composite copper catalysts. Catalysis Science & Technology (10.1039/D2CY01454H)
Jones, A. 2022. The application of mechanochemical techniques towards organic synthesis and catalysis. PhD Thesis , Cardiff University.
Jones, A. C. et al., 2022. Mechanical activation of zero-valent metal reductants for nickel-catalyzed cross-electrophile coupling. ACS Catalysis 12 (21), pp.13681-13689. (10.1021/acscatal.2c03117)
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. (Z)-2-(1-(5-Methyl-1-(4-nitrophenyl)-1H-1,2,3-triazol-4-yl)ethylidene)-N-phenylhydrazine-1-carbothioamide. Molbank 2022 (4) M1462. (10.3390/m1462)
Kariuki, B. M. et al. 2022. Synthesis and characterization of novel 2-(1,2,3-triazol-4-yl)-4,5-dihydro-1 h -pyrazol-1-yl)thiazoles and 2-(4,5-dihydro-1 h -pyrazol-1-yl)-4-(1 h -1,2,3-triazol-4-yl)thiazoles. Molecules 27 (24) 8904. (10.3390/molecules27248904)
Kariuki, B. M. et al. 2022. ( E )-1-(5-methyl-1-(4-nitrophenyl)-1 H -1,2,3-triazol-4-yl)-3-(naphthalen-2-yl)prop-2-en-1-one. Molbank 2022 (4) M1464. (10.3390/m1464)
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)
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)
Kennedy-Britten, O. 2022. A computational study of interactions between amyloid-β and transition metals via molecular dynamics. PhD Thesis , Cardiff University.
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 (7) e202200145. (10.1002/open.202200145)
Khan, N. , Itaya, K. and Wirth, T. 2022. Chiral iodotriptycenes: synthesis and catalytic applications. ChemistryOpen 11 (8) e202200158. (10.1002/open.202200158)
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)
Ko, M. et al., 2022. Direct propylene epoxidation with oxygen using a photo-electro-heterogeneous catalytic system. Nature Catalysis 5 (1), pp.37–44. (10.1038/s41929-021-00724-9)
Kovačič, D. 2022. Direct synthesis of hydrogen peroxide using monometallic and bimetallic Pd based catalysts supported on TiO2. PhD Thesis , Cardiff University.
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)
Kustiana, B. A. , Melen, R. L. and Morrill, L. C. 2022. One-pot synthesis of styrene derivatives from allyl silanes via b(c6f5)3-catalyzed isomerization-Hiyama coupling. Organic Letters 24 (47), pp.8694-8697. (10.1021/acs.orglett.2c03584)
Kuveke, 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)
Lander, A. J. , Jin, Y. and Luk, L. Y. P. 2022. D‐peptide and d‐protein technology: recent advances, challenges, and opportunities. ChemBioChem e202200537. (10.1002/cbic.202200537)
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)
Leiszner, S. S. et al., 2022. Electron density analysis of metal-metal bonding in a Ni4 cluster featuring ferromagnetic exchange. Inorganic Chemistry (10.1021/acs.inorgchem.2c03170)
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. Cyclohexanone ammoximation via in situ H2O2 production using TS-1 supported catalysts. Green Chemistry 24 , pp.9496-9507. (10.1039/D2GC02689A)
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)
Liang, Y. et al., 2022. Zero-oxidation state precursor assisted fabrication of highly dispersed and stable Pt catalyst for chemoselective hydrogenation of α,β--unsaturated aldehydes. Nano Research (10.1007/s12274-022-4822-4)
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.
Lu, S. et al., 2022. Mass transfer effect to electrochemical reduction of CO2: Electrode, electrocatalyst and electrolyte. Journal of Energy Storage 52 104764. (10.1016/j.est.2022.104764)
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. et al. 2022. An in-situ study of the thermal decomposition of 2,2'-azobis(2-methylpropionitrile) radical chemistry using a dual-mode EPR resonator. Research on Chemical Intermediates (10.1007/s11164-022-04861-z)
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)
Maidich, L. et al., 2022. Classical vs. Non-classical cyclometalated pt(ii) complexes. Molecules 27 (21) 7249. (10.3390/molecules27217249)
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 34 (29) 2203204. (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)
Mathuri, A. , Pramanik, M. and Mal, P. 2022. 3-arylsulfonylquinolines from n-propargylamines via cascaded oxidative sulfonylation using dabso. The Journal of Organic Chemistry 87 (10), pp.6812-6823. (10.1021/acs.joc.2c00499)
Maunder, R. 2022. Disposable nappies to fine chemicals. PhD Thesis , Cardiff University.
McLaren, R. L. et al., 2022. Oleophobic coated composite materials based on multi-layer graphitic scaffolding: applications within aircraft propellant tanks and oil-spill clean-up †. Molecular Systems Design & Engineering (10.1039/d2me00197g)
McLaren, 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)
Miletto, I. et al., 2022. Influence of pore size in benzoin condensation of furfural using heterogenized benzimidazole organocatalysts. Chemistry - A European Journal 28 (72) e202202771. (10.1002/chem.202202771)
Minova, 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-Ezzat, R. A. , Kariuki, B. M. and Azzam, R. A. 2022. Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide. IUCrData 7 (11) x221033. (10.1107/S2414314622010331)
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)
Naoom, N. et al., 2022. Synthesis of methyldopa–tin complexes and their applicability as photostabilizers for the protection of polyvinyl chloride against photolysis. Polymers 14 (21) 4590. (10.3390/polym14214590)
Navar, R. et al. 2022. Tracking the solid-state incorporation of Sn into the framework of dealuminated zeolite beta, and consequences for catalyst design. Journal of Materials Chemistry A: materials for energy and sustainability 2022 (10), pp.22025-22041. (10.1039/D2TA03837D)
Nieva de la Hidalga, 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)
Ortiz-Roldan, J. M. et al., 2022. Understanding the stability and structural properties of ordered nanoporous metals towards their rational synthesis. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 478 (2266) 20220201. (10.1098/rspa.2022.0201)
Ososki, 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 3 , pp.6773-6790. (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. 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)
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)
Patabandi Mudiyanselage, A. 2022. Computational studies of the initial stages in TiO2-MOF interface formation. MPhil Thesis , Cardiff University.
Patra, T. and Wirth, T. 2022. Oxidative cleavage of alkenes by photosensitized nitroarenes. Angewandte Chemie International Edition 61 (47) e202213772. (10.1002/anie.202213772)
Pattisson, S. et al. 2022. Lowering the operating temperature of gold acetylene hydrochlorination catalysts using oxidized carbon supports. ACS Catalysis 12 , pp.14086–14095. (10.1021/acscatal.2c04242)
Peng, G. et al., 2022. Heterogeneously-catalyzed competitive hydroarylation/hydromination of norbornene with aniline in the presence of Aquivion® ionomer. Molecular Catalysis 525 112368. (10.1016/j.mcat.2022.112368)
Pickett, J. A. 2022. Independent evolution of the iridoid biosynthetic pathway in plants and insects. Proceedings of the National Academy of Sciences 119 (48)(10.1073/pnas.2216444119)
Pickett, J. 2022. Semiochemical tools for the management of sea lice. In: Treasurer, J. , Bricknell, I. and Bron, J. eds. Sea Lice Biology and Control. 5M Books Ltd
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)
Pramanik, M. and Mal, P. 2022. C-S Bonds via C-H Functionalization. In: Maiti, D. ed. Handbook of CH-Functionalization. Wiley‐VCH GmbH(10.1002/9783527834242.chf0206)
Pramanik, M. , Mathuri, A. and Mal, P. 2022. tBuOLi-promoted terminal alkyne functionalizations by aliphatic thiols and alcohols. Organic and Biomolecular Chemistry 20 (13), pp.2671-2680. (10.1039/D2OB00079B)
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 12 , pp.4552-4560. (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)
Rhys, G. G. et al. 2022. De novo designed peptides for cellular delivery and subcellular localisation. Nature Chemical Biology 18 (9), pp.999-1004. (10.1038/s41589-022-01076-6)
Richards, D. P. et al., 2022. (−)-adaline from the adalia genus of ladybirds is a potent antagonist of insect and specific mammalian nicotinic acetylcholine receptors. Molecules 27 (20) 7074. (10.3390/molecules27207074)
Richards, 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)
Sachito, D. and Gonzaga De Oliveira, L. 2022. Unveiling the bacterial sesquiterpenome of streptomyces sp. CBMAI 2042 discloses cyclases with versatile performances. Journal of the Brazilian Chemical Society 33 (7), pp.734-742. (10.21577/0103-5053.20220013)
Saleh, 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 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)
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)
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)
Sarkar, C. et al., 2022. Unlocking molecular secrets in a monomer-assembly-promoted Zn-metalated catalytic porous organic polymer for light-responsive CO2 insertion. ACS Applied Materials and Interfaces 14 (33), pp.37620-37636. (10.1021/acsami.2c06982)
Sau, S. et al., 2022. Reported catalytic hydrofunctionalizations that proceed in the absence of catalysts: The importance of control experiments. The Chemical Record 22 (2) e202100208. (10.1002/tcr.202100208)
Saud, 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 58 , pp.8658-8661. (10.1039/D2CC02958H)
Seastram, A. 2022. Investigations into the development of new methodologies for organic electrochemistry. PhD Thesis , Cardiff University.
Selli, D. et al. 2022. Ge136 type-II clathrate as precursor for the synthesis of metastable germanium polymorphs: a computational study. Physical Review B 106 (17) 174102. (10.1103/PhysRevB.106.174102)
Selli, 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 648 (15) e202200048. (10.1002/zaac.202200048)
Selvakumar, K. et al., 2022. Development of α-mno2 nanowire with ni- and (ni, co)-cation doping as an efficient bifunctional oxygen evolution and oxygen reduction reaction catalyst. ChemElectroChem 9 (2) e202101303. (10.1002/celc.202101303)
Serpi, M. et al. 2022. Synthesis and characterization of nuc-7738, an aryloxy phosphoramidate of 3?-deoxyadenosine, as a potential anticancer agent. Journal of Medicinal Chemistry 65 (23), pp.15789-15804. (10.1021/acs.jmedchem.2c01348)
Sharma, 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)
Singh, F. V. et al., 2022. Progress in organocatalysis with hypervalent iodine catalysts. Chemical Society Reviews 51 (18), pp.8102-8139. (10.1039/D2CS00206J)
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)
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)
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 434 167524. (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, J. 2022. Microwave-assisted heterogeneous catalysis of propene selective oxidation. PhD Thesis , Cardiff University.
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)
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)
Tariq, A. 2022. Conversion of CO2 to fuels using supported Cu catalysts. PhD Thesis , Cardiff University.
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 12 , pp.5274-5280. (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 28 (56) 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)
Ungerer, M. J. and De Leeuw, N. H. 2022. Computational insights into Ru, Pd and Pt fcc nano-catalysts from density functional theory calculations: the influence of long-range dispersion corrections. Catalysts 12 (10) 1287. (10.3390/catal12101287)
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)
Valizadeh, S. et al., 2022. Experimental and density functional theory studies of laminar double-oxidized graphene oxide nanofiltration membranes. Chemical Engineering Research and Design 188 , pp.590-606. (10.1016/j.cherd.2022.10.006)
Vidal, 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, L. et al., 2022. Artificial formate oxidase reactivity with nano-palladium embedded in intrinsically microporous polyamine (Pd@PIM-EA-TB) driving the H2O2 – 3,5,3′,5′-tetramethylbenzidine (TMB) colour reaction. Journal of Catalysis 416 , pp.253-266. (10.1016/j.jcat.2022.11.015)
Wang, 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)
Wang, Y. et al. 2022. Cu2O nano-flowers/graphene enabled scaffolding structure catalyst layer for enhanced CO2 electrochemical reduction. Applied Catalysis B: Environmental 305 121022. (10.1016/j.apcatb.2021.121022)
Wang, Z. et al., 2022. Solid-state stability of Z′ < 1 and Z′ = 2 polymorphs of N,N,N′,N′-tetrabenzylethylenediamine: a combined experimental and theoretical study. CrystEngComm 24 (45), pp.7924-7931. (10.1039/d2ce01174c)
Ward, B. D. , Guppy, O. G. and Shaw, M. S. 2022. Alkyl, carbonyl and cyanide complexes of the group 4 metals. In: Parkin, G. , Meyer, K. and O'hare, D. eds. Comprehensive Organometallic Chemistry IV (Fourth Edition). Elsevier. , pp.85-162. (10.1016/B978-0-12-820206-7.00011-1)
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)
Wirth, T. , Patra, T. and Winterson, B. 2022. Hypervalent bromine(III) compounds: synthesis, applications, prospects. Synthesis: Journal of Synthetic Organic Chemistry 54 (5), pp.1261-1271. (10.1055/a-1675-8404)
Wu, Y. and Wright, A. I. 2022. Why does thionating a carbonyl molecule make it a better electron acceptor?. Physical Chemistry Chemical Physics (10.1039/d2cp05186a)
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, 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, C. et al., 2022. Phosphorus removal from dirty farmyard water by activated anaerobic-digestion-derived biochar. Industrial & Engineering Chemistry Research (10.1021/acs.iecr.2c02668)
Zhang, C. et al., 2022. CO2 capture over steam and KOH activated biochar: Effect of relative humidity. Biomass and Bioenergy 166 106608. (10.1016/j.biombioe.2022.106608)
Zhang, 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, 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, M. et al., 2022. Designed TiS2 nanosheets for efficient electrocatalytic reductive amination of biomass-derived furfurals. Green Chemistry 24 (24), pp.9570-9578. (10.1039/D2GC03234A)
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)
Zhang, X. et al., 2022. Toward a consistent prediction of defect chemistry in ceo2. Chemistry of Materials (10.1021/acs.chemmater.2c03019)
Zhu, Z. et al., 2022. The high performance NiFe layered double hydroxides@ Ti3C2Tx/reduced graphene oxide hybrid catalyst for oxygen evolution reaction. Journal of Alloys and Compounds 894 162393. (10.1016/j.jallcom.2021.162393)

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