Cyhoeddiadau
Porwch ein herthyglau, llyfrau, adroddiadau a phapurau a ysgrifennwyd gan arbenigwyr yn eu maes.
Cyhoeddiadau diweddar
- Abagale, S. A. et al., 2019. Attractiveness of host banana leaf materials to the banana weevil, Cosmopolites sordidus in Ghana for development of field management strategies. Pest Management Science 75 (2), pp.549-555. (10.1002/ps.5182)
- Al-Riyahee, A. A. et al. 2019. Syntheses, X-ray structures and characterisation of luminescent chromium(III) complexes incorporating 8-quinolinato ligands. Polyhedron 157 , pp.396. (10.1016/j.poly.2018.10.019)
- Allemann, R. K. et al. 2019. Heavy enzymes and the rational redesign of protein catalysts. ChemBioChem (10.1002/cbic.201900134)
- Alotaibi, F. et al., 2019. Direct synthesis of hydrogen peroxide using Cs-containing heteropolyacid-supported palladium-copper catalysts. Catalysis Letters 149 (4), pp.998-1006. (10.1007/s10562-019-02680-3)
- Alotaibi, M. H. et al., 2019. Crystal structure of N-(1-(2-hydroxyphenyl)ethylidene)-5-methyl-1-phenyl-1H-1,2,3-triazole-4-carbohydrazide, C18H17N5O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2), pp.355-357. (10.1515/ncrs-2018-0417)
- Alotaibi, M. H. et al., 2019. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O. Zeitschrift für Kristallographie - New Crystal Structures 234 (3) 543. (10.1515/ncrs-2018-0546)
- Alotaibi, M. H. et al., 2019. Crystal structure of N'-(1-(benzofuran-2-yl)ethylidene)-2-cyanoacetohydrazide, C13H11N3O2. Zeitschrift für Kristallographie - New Crystal Structures 234 (2), pp.361-362. (10.1515/ncrs-2018-0420)
- Alqahtani, A. et al., 2019. Synthesis and crystal structure of 2-((1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)methylene)-2,3-dihydro-1H-inden-1-one, C23H16N2OS. Zeitschrift für Kristallographie - New Crystal Structures (10.1515/ncrs-2019-0189)
- Amri, N. et al. 2019. Efficient flow electrochemical alkoxylation of N-formylpyrrolidine. SYNLETT 30 (10), pp.1183-1186. (10.1055/s-0037-1611774)
- Armstrong, R. D. et al. 2019. Quantitative determination of Pt- catalyzed D-glucose oxidation products using 2D NMR. ACS Catalysis 9 (1), pp.325-335. (10.1021/acscatal.8b03838)
- Bahili, M. A. et al. 2019. Aluminium-catalysed isocyanate trimerization, enhanced by exploiting a dynamic coordination sphere. Chemical Communications (10.1039/C9CC03339D)
- Bahruji, H. , Bowker, M. and Davies, P. R. 2019. Influence of TiO2 structural structural properties on photocatalytic hydrogen gas production. Journal of Chemical Sciences 131 (4), pp.-. 33. (10.1007/s12039-019-1608-7)
- Ballard, A. et al. 2019. The problem of racemization in drug discovery and tools to predict it. Expert Opinion on Drug Discovery 14 (6), pp.527-539. (10.1080/17460441.2019.1588881)
- Bezzu, C. G. et al. 2019. Highly stable fullerene-based porous molecular crystals with open metal sites. Nature Materials 18 , pp.740-745. (10.1038/s41563-019-0361-0)
- Bland, H. A. et al. 2019. Superconducting diamond on silicon nitride for device applications. Scientific Reports 9 2911. (10.1038/s41598-019-39707-z)
- Botha, L. M. et al., 2019. Mixing thermodynamics and electronic structure of the Pt1−xNix (0 ≤ x ≤ 1) bimetallic alloy. RSC Advances 9 (30), pp.16948-16954. (10.1039/C9RA02320H)
- Bowker, M. , Grillo, F. and Archard, D. 2019. CO and O2 adsorption on K/Pt(111). Journal of Physical Chemistry C 123 (13), pp.8198-8205. (10.1021/acs.jpcc.8b08461)
- Buettner, C. S. et al., 2019. Mechanistic investigation into the C(sp3)–H acetoxylation of morpholinones. Chemical Science 10 (1), pp.83-89. (10.1039/C8SC03434F)
- Campisi, S. et al., 2019. Metal-support cooperative effects in Au/VPO for the aerobic oxidation of benzyl alcohol to benzyl benzoate. Nanomaterials 9 (2) 299. (10.3390/nano9020299)
- Cao, Q. et al. 2019. Robust Buchwald-Hartwig amination enabled by ball-milling. Organic and Biomolecular Chemistry 17 (7), pp.1722-1726. (10.1039/C8OB01781F)
- Cao, Q. et al. 2019. A ball-milling enabled Reformatsky reaction. ChemSusChem (10.1002/cssc.201900886)
- Cao, W. et al., 2019. In-situ synthesis of single-atom Ir by utilizing metal-organic frameworks: An acid-resistant catalyst for hydrogenation of levulinic acid to γ-valerolactone. Journal of Catalysis 373 , pp.161-172. (10.1016/j.jcat.2019.03.035)
- Carden, J. et al. 2019. Unlocking the catalytic potential of tris(3,4,5-trifluorophenyl)borane with microwave irradiation. Chemical Communications 55 (3), pp.318-321. (10.1039/C8CC09459D)
- Carter, J. H. et al. 2019. Enhanced activity and stability of Gold/Ceria-Titania for the low-temperature water-gas shift reaction. Frontiers in Chemistry 7 , pp.-. 443. (10.3389/fchem.2019.00443)
- Casini, A. and Crowley, J. D. 2019. Editorial: supramolecular metal-based entities for biomedical and biological applications. Frontiers in Chemistry 7 , pp.-. 293. (10.3389/fchem.2019.00293)
- Cattaneo, S. et al. 2019. Synthesis of highly uniform and composition-controlled gold-palladium supported nanoparticles in continuous flow. Nanoscale 17 , pp.8247-8259. (10.1039/C8NR09917K)
- Chen, C. et al. 2019. The drying effect on xanthan gum biopolymer treated sandy soil shear strength. Construction and Building Materials 197 , pp.271-279. (10.1016/j.conbuildmat.2018.11.120)
- Collier, T. A. et al., 2019. Relative orientation of collagen molecules within a fibril: a homology model for homo sapiens type I collagen. Journal of Biomolecular Structure and Dynamics 37 (2), pp.537-549. (10.1080/07391102.2018.1433553)
- Craco, L. , Carara, S. S. and Leoni, S. 2019. Electronic structure of BiFeO3 in the presence of strong electronic correlations. Physical Review B 99 (4), pp.-. 45112. (10.1103/PhysRevB.99.045112)
- Dambatta, M. et al. 2019. Iron-catalyzed borrowing hydrogen C-alkylation of oxindoles using alcohols. ChemSusChem (10.1002/cssc.201900799)
- Dann, E. K. et al., 2019. Structural selectivity of supported Pd nanoparticles for catalytic NH3 oxidation resolved using combined operando spectroscopy. Nature Catalysis 2 , pp.157-163. (10.1038/s41929-018-0213-3)
- Dann, E. K. et al., 2019. Combined spatially resolved operando spectroscopy: New insights into kinetic oscillations of CO oxidation on Pd/γ-Al2O3. Journal of Catalysis 373 , pp.201-208. (10.1016/j.jcat.2019.03.037)
- Day, A. H. et al. 2019. Synthetic routes, characterization and photophysical properties of luminescent, surface functionalized nanodiamonds. Carbon 152 , pp.335-343. (10.1016/j.carbon.2019.05.081)
- Delarmelina, M. et al. 2019. α‐ and β‐ Lapachone isomerization in acidic media: Insights from experimental and implicit/explicit solvation approaches. ChemPlusChem 84 (1), pp.52-61. (10.1002/cplu.201800485)
- Di Michele, A. et al., 2019. Steam reforming of ethanol over Ni/MgAl2O4 catalysts. International Journal of Hydrogen Energy 44 (2), pp.952-964. (10.1016/j.ijhydene.2018.11.048)
- Dlamini, M. W. et al. 2019. Post doped nitrogen-decorated hollow carbon spheres as a support for Co Fischer-Tropsch catalysts. Catalysis Today (10.1016/j.cattod.2019.01.070)
- Dordevic, L. et al., 2019. Templating porphyrin anisotropy via magnetically aligned carbon nanotubes. ChemPlusChem 84 (10.1002/cplu.201800623)
- Dosso, J. et al. 2019. Structural properties of highly doped borazino polyphenylenes obtained through condensation reaction. ACS Omega 4 (5), pp.9343-9351. (10.1021/acsomega.9b00830)
- El-Hiti, G. A. et al., 2019. 5-[(4-Chlorophenyl)diazenyl]-2-[5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methylthiazole. IUCrData 4 (2), pp.-. (10.1107/S2414314619002116)
- El-Hiti, G. A. et al., 2019. 3-{2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazol-4-yl}-3,8a-dihydro-2H-chromen-2-one. IUCrData 4 (2)(10.1107/S2414314619001706)
- El-Hiti, G. A. et al., 2019. 2-[3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-8H-indeno[1,2-d]thiazole. IUCrData 4 (2)(10.1107/S2414314619002189)
- El-Hiti, G. A. et al., 2019. 3-[5-Methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazole-4-carbaldehyde. IUCrData 4 (2)(10.1107/S2414314619002177)
- El-Hiti, G. A. et al., 2019. 4-(Benzofuran-2-yl)-2-[3-(4-chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]thiazole. IUCrData 4 (3)(10.1107/S2414314619003596)
- El-Hiti, G. A. et al., 2019. 1-(4-Fluorophenyl)-5-methyl-N?-{1-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]ethylidene}-1H-1,2,3-triazole-4-carbohydrazide. IUCrData 4 (2)(10.1107/S241431461900261X)
- El-Hiti, G. A. et al., 2019. 2-[5-(4-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)thiazole. IUCrData 4 (2)(10.1107/S2414314619002402)
- El-Hiti, G. A. et al., 2019. N'-[5-Acetyl-3-(4-bromophenyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide dimethylformamide monosolvate. IUCrData 4 (2)(10.1107/S2414314619002487)
- El-Hiti, G. A. et al., 2019. N′-[5-Acetyl-3-(4-chlorophenyl)-2,3-dihydro-1,3,4-thiadiazol-2-ylidene]-5-(1H-indol-3-yl)-1-phenyl-1H-pyrazole-3-carbohydrazide dimethylformamide monosolvate. IUCrData 4 (1)(10.1107/S2414314619001482)
- El-Hiti, G. A. et al., 2019. 5-[5-(4-Chlorophenyl)isoxazol-3-yl]-N-phenyl-1,3,4-oxadiazol-2-amine. IUCrData 4 (1) x190136. (10.1107/S2414314619001366)
- Elsherbini, M. et al. 2019. Continuous electrochemical generator of hypervalent iodine reagents: synthetic applications in flow. Angewandte Chemie International Edition , pp.-. (10.1002/anie.201904379)
- Engel, R. V. et al. 2019. Solvent-free aerobic epoxidation of 1-decene using supported cobalt catalysts. Catalysis Today 333 , pp.154-160. (10.1016/j.cattod.2018.09.005)
- Fang, H. et al., 2019. Structural tuning and catalysis of tungsten carbides for the regioselective cleavage of C-O bonds. Journal of Catalysis 369 , pp.283-295. (10.1016/j.jcat.2018.11.020)
- Galaverna, R. et al. 2019. Exploring the generation and use of acylketenes with continuous flow processes. Reaction Chemistry and Engineering , pp.-. (10.1039/C9RE00072K)
- García, T. et al., 2019. The key role of nanocasting in gold-based Fe2 O3 nanocasted catalysts for oxygen activation at the metal-support interface. ChemCatChem 11 (7), pp.1915-1927. (10.1002/cctc.201900210)
- Garcia-Meseguer, R. and Carpenter, B. K. 2019. Re-evaluating the transition state for reactions in solution. European Journal of Organic Chemistry 2019 (2-3), pp.254-266. (10.1002/ejoc.201800841)
- Garcia-Mesguer, R. , Carpenter, B. and Wiggins, S. 2019. The influence of the solvent's mass on the location of the dividing surface for a model Hamiltonian. Chemical Physics Letters: X 100030. (10.1016/j.cpletx.2019.100030)
- Grazziotin-Soares, R. et al., 2019. Crystalline phases involved in the hydration of calcium silicate-based cements: Semi-quantitative Rietveld X-ray diffraction analysis. Australian Endodontic Journal 45 (1), pp.26-32. (10.1111/aej.12226)
- Greer, A. J. et al., 2019. Investigating the effect of NO on the capture of CO2 using superbase ionic liquids for flue gas applications. ACS Sustainable Chemistry & Engineering 7 (3), pp.3567-3574. (10.1021/acssuschemeng.8b05870)
- Gritsenko, O. V. , Wang, J. and Knowles, P. J. 2019. Symmetry dependence and universality of practical algebraic functionals in density-matrix-functional theory. Physical Review A 99 (4), pp.-. 42516. (10.1103/PhysRevA.99.042516)
- Hamilton, H. B. et al. 2019. Zirconium−nitrogen intermolecular frustrated Lewis pairs. Inorganic Chemistry 58 (9), pp.6399-6409. (10.1021/acs.inorgchem.9b00569)
- Han, J. et al., 2019. Imaging of protein distribution in tissues using mass spectrometry: An interdisciplinary challenge. Trends in Analytical Chemistry 112 , pp.13-28. (10.1016/j.trac.2018.12.016)
- Hasnain, S. S. and Catlow, C. R. A. 2019. Synchrotron science in the UK: NINA, the SRS and Diamond. Philosophical Transactions A: Mathematical, Physical and Engineering Sciences 377 (2147) 20190147. (10.1098/rsta.2019.0147)
- Hassemer, M. J. et al., 2019. Development of pull and push–pull systems for management of lesser mealworm, Alphitobius diaperinus, in poultry houses using alarm and aggregation pheromones. Pest management Science 75 (4), pp.1107-1114. (10.1002/ps.5225)
- He, C. et al., 2019. Recent advances in the catalytic oxidation of volatile organic compounds: a review based on pollutant sorts and sources. Chemical Reviews 119 (7), pp.4471-4568. (10.1021/acs.chemrev.8b00408)
- Hellier, P. , Wells, P. P. and Bowker, M. 2019. Methanol oxidation over shell-core MOx/Fe2O3 (M = Mo, V, Nb) catalysts. Chinese Journal of Catalysis
- Hill, M. S. et al., 2019. Reduction of 1,3,5,7-cyclooctatetraene by a molecular calcium hydride: an even electron polarised insertion/deprotonation mechanism. Chemical Communications 55 (40), pp.5732-5735. (10.1039/C9CC02418B)
- Hirayama, J. et al., 2019. The effects of dopants on the Cu-ZrO2 catalysed hydrogenation of levulinic acid. Journal of Physical Chemistry C 123 (13), pp.7879-7888. (10.1021/acs.jpcc.8b07108)
- Hogarth, G. et al., 2019. Fe(II) and Fe(III) dithiocarbamate complexes as single source precursors to nanoscale iron sulfides: A combined synthetic and in-situ XAS approach. Nanoscale Advances (10.1039/C9NA00262F)
- Hughes, C. E. et al. 2019. Exploiting in-situ solid-state NMR spectroscopy to probe the early stages of hydration of calcium aluminate cement. Solid State Nuclear Magnetic Resonance 99 , pp.1-6. (10.1016/j.ssnmr.2019.01.003)
- Humby, J. et al., 2019. Host-guest selectivity in a series of isoreticular metal-organic frameworks: observation of acetylene-to-alkyne and carbon dioxide-to-amide interactions. Chemical Science 10 (4), pp.1098-1106. (10.1039/C8SC03622E)
- Hutchings, G. J. and Lewis, R. 2019. A review of recent advances in the direct synthesis of H2O2. ChemCatChem 11 (1), pp.298-308. (10.1002/cctc.201801435)
- Jayaraman, A. , Powell-Davies, H. and Fontaine, F. 2019. Revisiting the reduction of indoles by hydroboranes: A combined experimental and computational study. Tetrahedron 75 (14), pp.2118-2127. (10.1016/j.tet.2019.02.048)
- Jian, Y. et al., 2019. In-depth understanding of the morphology effect of α-Fe2O3 on catalytic ethane destruction. ACS Applied Materials and Interfaces 11 (12), pp.11369-11383. (10.1021/acsami.8b21521)
- Khan, Z. R. et al., 2019. Exploiting chemical ecology for developing novel integrated pest management strategies for Africa. In: Peshin, R. and Dhawan, A. eds. Natural Resource Management: Ecological Perspectives. Vol. 11354, Springer Verlag (Germany) / Springer Verlag (Germany): Computer Proceedings. , pp.165-183. (10.1007/978-3-319-99768-1_10)
- Khatoon, S. et al., 2019. Easy access to crystalline indolines via hydrogen bond transfer. Journal of Heterocyclic Chemistry 56 (4), pp.1388-1392. (10.1002/jhet.3516)
- Kreplin, D. A. , Knowles, P. J. and Werner, H. 2019. Second-order MCSCF optimization revisited. I. Improved algorithms for fast and robust second-order CASSCF convergence. Journal of Chemical Physics 150 (19) 194106. (10.1063/1.5094644)
- Laudadio, G. et al., 2019. Sulfonamide synthesis through electrochemical oxidative coupling of amines and thiols. Journal of the American Chemical Society 141 (14), pp.5664-5668. (10.1021/jacs.9b02266)
- Lemos, B. C. et al., 2019. Synthesis, structure-activity relationship and evaluation of new non-polymeric chemical additives based on naphthoquinone derivatives as wax precipitation inhibitors and pour point depressants to petroleum. Fuel 220 , pp.200-209. (10.1016/j.fuel.2018.01.121)
- Lewis, R. et al. 2019. The direct synthesis of H2O2 using TS-1 supported catalysts. ChemCatChem 11 (6), pp.1673-1680. (10.1002/cctc.201900100)
- Loizzi, M. , Miller, D. J. and Allemann, R. K. 2019. Silent catalytic promiscuity in the high-fidelity terpene cyclase δ-cadinene synthase. Organic & Biomolecular Chemistry 17 (5), pp.1206-1214. (10.1039/C8OB02821D)
- Lopes Ferreira, L. et al., 2019. Identification of a non-host semiochemical from tick-resistant donkeys (Equus asinus) against Amblyomma sculptum ticks. Ticks and Tick-borne Diseases 10 (3), pp.621-627. (10.1016/j.ttbdis.2019.02.006)
- Luckham, S. L. J. et al. 2019. Unravelling the photochemical transformations of chromium(I) 1,3 Bis(diphenylphosphino), [Cr(CO)4(dppp)]+, by EPR spectroscopy. Organometallics , pp.-. (10.1021/acs.organomet.9b00226)
- MacIno, M. 2019. Tuning the activity of supported metal catalysts. PhD Thesis , Cardiff University.
- Madura, F. et al. 2019. TCR-induced alteration of primary MHC peptide anchor residue. European Journal of Immunology , pp.-. (10.1002/eji.201948085)
- Manikandan, V. et al., 2019. Fabrication and characterization of Ru-doped LiCuFe2O4 nanoparticles and their capacitive and resistive humidity sensor applications. Journal of Magnetism and Magnetic Materials 474 , pp.563-569. (10.1016/j.jmmm.2018.11.072)
- Martins, G. M. et al., 2019. A green approach: vicinal oxidative electrochemical alkene difunctionalization [Cover Profile]. ChemElectroChem 6 (5), pp.1254-1254. (10.1002/celc.201801892)
- Martins, G. M. et al., 2019. A green approach: Vicinal oxidative electrochemical alkene difunctionalization [Mini review]. ChemElectroChem 6 (5), pp.1300-1315. (10.1002/celc.201801466)
- Mazzei, L. et al., 2019. Inhibition mechanism of urease by Au(III) compounds unveiled by x-ray diffraction analysis. ACS Medicinal Chemistry Letters 10 (4), pp.564-570. (10.1021/acsmedchemlett.8b00585)
- Melen, R. L. 2019. Frontiers in molecular p-block chemistry: From structure to reactivity. Science 363 (6426), pp.479-484. (10.1126/science.aau5105)
- Menkah, E. S. et al., 2019. Hydrazine adsorption on perfect and defective fcc nickel (100), (110) and (111) surfaces: A dispersion corrected DFT-D2 study. Applied Surface Science 480 , pp.1014-1024. (10.1016/j.apsusc.2019.02.128)
- Michereff, M. F. F. et al., 2019. Variability in herbivore-induced defence signalling across different maize genotypes impacts significantly on natural enemy foraging behaviour. Journal of Pest Science 92 (2), pp.723-736. (10.1007/s10340-018-1033-6)
- Miletic, T. et al. 2019. Leveraging fluorescent emission to unitary yield: dimerization of polycyclic aromatic hydrocarbons. Helvetica Chimica Acta 102 (3) e1900004. (10.1002/hlca.201900004)
- Mohamed, H. A. et al., 2019. Convenient synthesis of new heterocycles containing quinoxaline ring system. Letters in Organic Chemistry 16 , pp.-. (10.2174/1570178616666190311161505)
- Morgan, D. J. 2019. Imaging XPS for industrial applications. Journal of Electron Spectroscopy and Related Phenomena 231 , pp.109-117. (10.1016/j.elspec.2017.12.008)
- Müller, K. et al., 2019. Interdisciplinary round-robin test on molecular spectroscopy of the U(VI) acetate system. ACS Omega 4 (5), pp.8167-8177. (10.1021/acsomega.9b00164)
- Naqvi, S. T. R. et al., 2019. Electrochemical sensing of ascorbic acid, hydrogen peroxide and glucose by bimetallic (Fe, Ni)-CNTs composite modified electrode. Electroanalysis 31 (5), pp.851-857. (10.1002/elan.201800768)
- Nastase, S. A. et al. 2019. Computational QM/MM investigation of the adsorption of MTH active species in H-Y and H-ZSM-5. Physical Chemistry Chemical Physics 21 (5), pp.2639-2650. (10.1039/C8CP06736H)
- Nödling, A. R. et al., 2019. Using genetically incorporated unnatural amino acids to control protein functions in mammalian cells. Essays in Biochemistry EBC20180042. (10.1042/EBC20180042)
- Nowicka, E. et al. 2019. Benzyl alcohol oxidation with Pd-Zn/TiO2: computational and experimental studies. Science and Technology of Advanced Materials 20 (1), pp.367-378. (10.1080/14686996.2019.1598237)
- Nuzzo, S. et al., 2019. Oxidation of uranium(IV) thiocyanate complexes: cation–cation interactions in mixed-valent uranium coordination chains. Dalton Transactions 48 (20), pp.6704-6708. (10.1039/C9DT01005J)
- Olsson, E. et al., 2019. Computational study of the mixed B-site perovskite SmBxCo1-xO3-d (B = Mn, Fe, Ni, Cu) for next generation solid oxide fuel cell cathodes. Physical Chemistry Chemical Physics 21 (18), pp.9407-9418. (10.1039/C9CP00995G)
- Orlowski, I. et al. 2019. The hydrogenation of levulinic acid to γ-valerolactone over Cu-ZrO2 catalysts prepared by a pH-gradient methodology. Journal of Energy Chemistry 36 , pp.15-24. (10.1016/j.jechem.2019.01.015)
- Parker, L. 2019. The catalytic decomposition of ammonia. PhD Thesis , Cardiff University.
- Parkes, R. J. et al. 2019. Rock-crushing derived hydrogen directly supports a methanogenic community: significance for the deep biosphere.. Environmental Microbiology Reports 11 (2), pp.165-172. (10.1111/1758-2229.12723)
- Patel, S. G. et al. 2019. Cell-penetrating peptide sequence and modification dependent uptake and subcellular distribution of green florescent protein in different cell lines. Scientific Reports 9 (1), pp.-. 6298. (10.1038/s41598-019-42456-8)
- Pattisson, S. et al. 2019. Low temperature solvent-free allylic oxidation of cyclohexene using graphitic oxide catalysts. Catalysis Today (10.1016/j.cattod.2019.04.053)
- Pavliuk, M. V. et al., 2019. Hydrated electron generation by excitation of copper localized surface plasmon resonance. The Journal of Physical Chemistry Letters 10 (8), pp.1743-1749. (10.1021/acs.jpclett.9b00792)
- Pegg, J. T. et al., 2019. Interaction of hydrogen with actinide dioxide (111) surfaces. Journal of Chemical Physics 150 (13) 134701. (10.1063/1.5087577)
- Pegg, J. T. et al., 2019. Noncollinear relativistic DFT + U calculations of actinide dioxide surfaces. Journal of Physical Chemistry C 123 (1), pp.356-366. (10.1021/acs.jpcc.8b07823)
- Pegg, J. T. et al., 2019. Magnetic structure of UO2 and NpO2 by first-principle methods. Physical Chemistry Chemical Physics 21 (2), pp.760-761. (10.1039/C8CP03581D)
- Pendem, S. et al., 2019. Metal-organic-framework derived Co-Pd bond is preferred over Fe-Pd for reductive upgrading of furfural to tetrahydrofurfuryl alcohol. Dalton Transactions , pp.-. (10.1039/C9DT01190K)
- Permyakov, E. A. et al., 2019. Molecular dynamics simulation of aluminum binding to amyloid-β and its effect on peptide structure. PLoS ONE 14 (6), pp.-. e0217992. (10.1371/journal.pone.0217992)
- Phillips, K. A. et al. 2019. Dual visible/NIR emission from organometallic iridium(III) complexes. Journal of Organometallic Chemistry 893 , pp.11-20. (10.1016/j.jorganchem.2019.04.019)
- Pinho, J. et al., 2019. Copper complex nanoformulations featuring highly promising therapeutic potential in murine melanoma models. Nanomedicine 14 (7)(10.2217/nnm-2018-0388)
- Polyak, I. et al. 2019. Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regression. Journal of Chemical Physics 150 (4) 41101. (10.1063/1.5086358)
- Pöthig, A. and Casini, A. 2019. Recent developments of supramolecular metal-based structures for applications in cancer therapy and imaging. Theranostics 9 (11), pp.3150-3169. (10.7150/thno.31828)
- Quesne, M. G. and de Visser, S. P. 2019. The quest for accurate theoretical models of metalloenzymes: An aid to experiment. In: Broclawik, E. , Borowski, T. and Radoń, M. eds. Transition Metals in Coordination Environments. Challenges and Advances in Computational Chemistry and Physics. Vol. 29, Challenges and Advances in Computational Chemistry and Physics , pp.439-462. (10.1007/978-3-030-11714-6_14)
- Quesne, M. G. et al. 2019. Carbon dioxide and water co-adsorption on the low-index surfaces of TiC, VC, ZrC and NbC: a DFT study. Physical Chemistry Chemical Physics (10.1039/C9CP00924H)
- Quesne, M. G. et al. 2019. Advances in sustainable catalysis: a computational perspective. Frontiers in Chemistry 7 182. (10.3389/fchem.2019.00182)
- Rasi, S. et al., 2019. Thermal decomposition of CuProp2: In-situ analysis of film and powder pyrolysis. Journal of Analytical and Applied Pyrolysis 140 , pp.312-320. (10.1016/j.jaap.2019.04.008)
- Reed-Berendt, B. G. and Morrill, L. C. 2019. Manganese-catalyzed N-alkylation of sulfonamides using alcohols. Journal of Organic Chemistry 84 (6), pp.3715-3724. (10.1021/acs.joc.9b00203)
- Reed-Berendt, B. G. , Polidano, K. and Morrill, L. C. 2019. Recent advances in homogeneous borrowing hydrogen catalysis using earth-abundant first row transition metals. Organic and Biomolecular Chemistry 17 (7), pp.1595-1607. (10.1039/C8OB01895B)
- Roldan Martinez, A. and de Leeuw, N. H. 2019. A density functional theory study of the hydrogenation and reduction of the thio-spinel Fe3S4{111} surface. Physical Chemistry Chemical Physics (10.1039/C8CP06371K)
- Ruiz-Pernía, J. J. et al., 2019. Why are some enzymes dimers? flexibility and catalysis in Thermotoga maritima dihydrofolate reductase. ACS Catalysis 9 , pp.5902-5911. (10.1021/acscatal.9b01250)
- Saeed, I. Q. and Buurma, N. J. 2019. Analysis of isothermal titration calorimetry data for complex interactions using I2CITC. In: Ennifar, E. ed. Microcalorimetry of Biological Molecules. Vol. 1964, Methods in Molecular Biology Humana Press. , pp.169-183. (10.1007/978-1-4939-9179-2_13)
- Sampford, K. R. et al., 2019. Twisting the arm: structural constraints in bicyclic expanded-ring N-heterocyclic carbenes. Dalton Transactions , pp.-. (10.1039/C8DT04462G)
- Santi, M. et al. 2019. Metal-free tandem rearrangement/lactonization: Access to 3,3-disubstituted benzofuran-2-(3H)-ones. Angewandte Chemie International Edition 58 (23), pp.7861-7865. (10.1002/anie.201902985)
- Sarma, P. . J. et al., 2019. Hydride pinning pathway in the hydrogenation of CO2 into formic acid on dimeric tin dioxide. ChemPhysChem 20 (5), pp.680-686. (10.1002/cphc.201801194)
- Schlaeger, S. , Pickett, J. A. and Birkett, M. A. 2019. Prospects for management of whitefly using plant semiochemicals, compared with related pests. Pest Management Science 74 (11), pp.2405-2411. (10.1002/ps.5058)
- Schmidt, N. et al., 2019. Coverage-controlled polymorphism of H-bonded networks on Au(111). Journal of Physical Chemistry C 123 (12), pp.7151-7157. (10.1021/acs.jpcc.8b12260)
- Scott, A. F. et al. 2019. Crystal structure and biophysical analysis of furfural detoxifying aldehyde reductase from clostridium beijerinkii. Applied and Environmental Microbiology , pp.-. (10.1128/AEM.00978-19)
- Serhan, N. et al., 2019. Modifying catalytically the soot morphology and nanostructure in diesel exhaust: Influence of silver De-NOx catalyst (Ag/Al2O3). Applied Catalysis B: Environmental 241 , pp.471-482. (10.1016/j.apcatb.2018.09.068)
- Shah, P. M. et al. 2019. Ceria-zirconia mixed metal oxides prepared via mechanochemical grinding of carbonates for the total oxidation of propane and naphthalene. Catalysts 9 (5), pp.475. (10.3390/catal9050475)
- Shah, P. M. et al. 2019. Mechanochemical preparation of ceria-zirconia catalysts for the total oxidation of propane and naphthalene Volatile Organic Compounds. Applied Catalysis B: Environmental 253 , pp.331-340. (10.1016/j.apcatb.2019.04.061)
- Shirinfar, B. and Ahmed, N. 2019. Diabetes treatment: Selective synthetic receptor for glucose. ChemistryOpen 8 (1), pp.84-86. (10.1002/open.201800279)
- Silva, F. 2019. Exploring new methodologies for the synthesis of garlic metabolites. PhD Thesis , Cardiff University.
- Silveri, F. et al. 2019. Hydrogen adsorption on transition metal carbides: a DFT study. Physical Chemistry Chemical Physics 21 (10), pp.5335-5343. (10.1039/C8CP05975F)
- Singh, F. V. and Wirth, T. 2019. Selenium reagents as catalysts. Catalysis Science & Technology 9 (5), pp.1073-1091. (10.1039/C8CY02274G)
- Smith, K. , Williams, D. and El-Hiti, G. A. 2019. Regioselective chlorination of phenols in the presence of tetrahydrothiopyran derivatives. Journal of Sulfur Chemistry (10.1080/17415993.2019.1620230)
- Smith, L. R. et al. 2019. New insights for the valorisation of glycerol over MgO catalysts in the gas-phase. Catalysis Science and Technology 9 , pp.1464-1475. 6. (10.1039/C8CY02214C)
- Smith, P. J. et al. 2019. Investigating the Influence of Reaction Conditions and the Properties of Ceria for the Valorisation of Glycerol. Energies 12 (7) 1359. (10.3390/en12071359)
- Soldatova, N. S. et al. 2019. Flow synthesis of iodonium trifluoroacetates through direct oxidation of iodoarenes by Oxone®. European Journal of Organic Chemistry 2019 (10), pp.2081-2088. (10.1002/ejoc.201900220)
- Stanczyk, N. M. et al., 2019. Species-specific alterations in Anopheles mosquito olfactory responses caused by Plasmodium infection. Scientific Reports 9 3396. (10.1038/s41598-019-40074-y)
- Sun, S. et al. 2019. Synergistic enhancement of H2 and CH4 evolution by CO2 photoreduction in water with reduced Graphene oxide–bismuth monoxide quantum dot catalyst. ACS Applied Energy Materials 2 (3), pp.2104-2112. (10.1021/acsaem.8b02153)
- Tzoupis, H. et al., 2019. Refinement of the gonadotropin releasing hormone receptor I homology model by applying molecular dynamics. Journal of Molecular Graphics and Modelling 89 , pp.147-155. (10.1016/j.jmgm.2019.03.009)
- Utkin, Y. N. et al., 2019. Novel long-chain neurotoxins from Bungarus candidus distinguish the two binding sites in muscle-type nicotinic acetylcholine receptors. Biochemical Journal 476 (8), pp.1285-1302. (10.1042/BCJ20180909)
- van Dijk, F. et al., 2019. The antifibrotic potential of a sustained release formulation of a PDGFβ-receptor targeted rho kinase inhibitor. Journal of Controlled Release 296 , pp.250-257. (10.1016/j.jconrel.2018.12.039)
- Varache, M. et al. 2019. Polymer masked-unmasked protein therapy: Identification of the active species after amylase-activation of dextrin-colistin conjugates.. Molecular Pharmaceutics (10.1021/acs.molpharmaceut.9b00393)
- Vioglio, P. C. et al., 2019. A strategy for probing the evolution of crystallization processes by low-temperature solid-state NMR and dynamic nuclear polarization. Journal of Physical Chemistry Letters 10 (7), pp.1505-1510. (10.1021/acs.jpclett.9b00306)
- Watson, N. I. et al. 2019. An extended computational study of Criegee intermediate - alcohol reactions. Journal of Physical Chemistry A 123 (1), pp.218-229. (10.1021/acs.jpca.8b09349)
- Wenzel, M. et al. 2019. Cyclometalated Au(III) complexes for cysteine arylation in zinc finger protein domains: towards controlled reductive elimination. Chemistry - A European Journal (10.1002/chem.201901535)
- Wenzel, M. N. et al. 2019. Insights into the mechanisms of aquaporin-3 inhibition by gold(III) complexes: the importance of non-coordinative adduct formation. Inorganic Chemistry 58 (3), pp.2140-2148. (10.1021/acs.inorgchem.8b03233)
- Wenzel, M. N. , Woods, B. and Casini, A. 2019. Supramolecular metal-based structures for applications in cancer therapy [Chapter 9]. In: Casini, A. , Vessieres, A. and Meier-Menches, S. eds. Metal-based Anticancer Agents. Metallobiology Royal Society of Chemistry. , pp.215-245. (10.1039/9781788016452-00215)
- Willcox, D. and Melen, R. L. 2019. Illuminating Lewis acidity strength. Chem , pp.-. (10.1016/j.chempr.2019.04.001)
- Wirth, T. and Knight, D. 2019. Morpholin-2-one derivatives via intramolecular acid-catalyzed hydroamination. SYNTHESIS 51 (7), pp.1643-1648. (10.1055/s-0037-1610674)
- Wolf, M. et al., 2019. In-depth characterisation of metal-support compounds in spent Co/SiO2 Fischer-Tropsch model catalysts. Catalysis Today , pp.-. (10.1016/j.cattod.2019.01.065)
- Woods, B. et al., 2019. Exo-functionalized metallacages as host-guest systems for the anticancer drug Cisplatin. Frontiers in Chemistry 7 (68)(10.3389/fchem.2019.00068)
- Wragg, D. et al. 2019. Unveiling the mechanisms of aquaglyceroporin-3 water and glycerol permeation by metadynamics. Chemistry - A European Journal (10.1002/chem.201902121)
- Wu, L. et al., 2019. Enhancing the electrocatalytic activity of 2H-WS2 for hydrogen evolution via defect engineering. Physical Chemistry Chemical Physics 21 (11), pp.6071-6079. (10.1039/C9CP00722A)
- Xu, R. et al., 2019. Nanoporous carbon: liquid-free synthesis and geometry-dependent catalytic performance. ACS Nano 13 (2), pp.2463-2472. (10.1021/acsnano.8b09399)
- Yu, Y. et al., 2019. SO2 promoted in situ recovery of thermally deactivated Fe2(SO4)3/TiO2 NH3-SCR catalysts: from experimental work to theoretical study. Chemical Engineering Journal 361 , pp.820-829. (10.1016/j.cej.2018.12.149)
- Zachariou, A. et al., 2019. Investigation of ZSM-5 catalysts for dimethylether conversion using inelastic neutron scattering. Applied Catalysis A: General 569 , pp.1-7. (10.1016/j.apcata.2018.10.010)
- Zhan, S. et al., 2019. Editorial of Environmental Catalysis_18NCC. Catalysis Today 327 , pp.1-1. (10.1016/j.cattod.2019.01.046)
- Zhang, I. Y. et al., 2019. Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: Systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations. New Journal of Physics 21 13025. (10.1088/1367-2630/aaf751)
- Zhou, Y. et al. 2019. Spatially resolved mapping of phase transitions in liquid-crystalline materials by X-ray birefringence imaging. Chemical Science 10 (10), pp.3005-3011. (10.1039/C8SC05285A)
- Zhou, Y. et al. 2019. Temperature-dependent structural properties, phase transition behavior, and dynamic properties of a benzene derivative in the solid state. Crystal Growth and Design 19 (4), pp.2155-2162. (10.1021/acs.cgd.8b01775)
- Zhu, D. et al., 2019. Electrophilic boron carboxylate and phosphinate complexes. Dalton Transactions 48 (6), pp.2038-2045. (10.1039/C8DT04818E)
- Živković, A. et al. 2019. First-principles DFT insights into the structural, elastic, and optoelectronic properties of α and β-ZnP2: implications for photovoltaic applications. Journal of Physics: Condensed Matter 31 (26), pp.-. 265501. (10.1088/1361-648X/ab111c)
- Zivkovic, A. , Roldan Martinez, A. and De Leeuw, N. H. 2019. Density functional theory study explaining the underperformance of copper oxides as photovoltaic absorbers. Physical Review B 99 (3) 35154. (10.1103/PhysRevB.99.035154)
Gallwch bori ein holl cyhoeddiadau drwy storfa sefydliadaol Prifysgol Caerdydd.
