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. 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)
Amesbury, R. 2022. Circular economy of polyisocyanurate insulation materials. PhD Thesis , Cardiff University.
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)
Bates, S. 2022. Developments in sustainable C-C bond forming reactions. PhD Thesis , Cardiff University.
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)
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.
Beynon, O. 2022. Astudiaeth Gyfrifiadurol o Synthesis a Sefydlogrwydd Defnyddiau Mandyllog Anorganig. PhD Thesis , Prifysgol Caerdydd.
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)
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)
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. Multiphase microreactors based on liquid-liquid and gas-liquid dispersions stabilized by colloidal catalytic particles. Angewandte Chemie International Edition 61 (4) e202107537. (10.1002/anie.202107537)
Dedovets, D. et al., 2022. Microfluidic device for monitoring catalytic events on armored bubbles. Advanced Materials Interfaces 9 (23) 2200759. (10.1002/admi.202200759)
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)
Dwivedi, B. , Mishra, P. K. and Mishra, V. 2022. Chiral metal-organic frameworks for asymmetrical catalysis. In: Gulati, S. ed. Metal-Organic Frameworks (MOFs) as Catalysts. Singapore: Springer. , pp.493–513. (10.1007/978-981-16-7959-9_19)
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.
Edwards, M. M. 2022. Investigating rate enhancements in alpha-keto esters using cinchona and non-cinchona alkaloids. PhD Thesis , Cardiff University.
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)
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. Organic foams stabilized by Biphenyl-bridged organosilica particles. Journal of Colloid and Interface Science 617 , pp.171-181. (10.1016/j.jcis.2022.02.034)
Feng, 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)
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. 2022. Synthesis and prototyping of coloured electrochromic inks for displays and applications. PhD Thesis , Cardiff University.
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. , Saunders, L. K. and Coulson, B. A. 2022. Uncovering the role of non-covalent interactions in solid-state photoswitches by non-spherical structure refinements with NoSpherA2. Faraday Discussions (10.1039/d2fd00158f)
Hatcher, 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)
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