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个人简介

PhD Cardiff University (1996, S. T. Howard, theoretical chemistry). Postdoctoral Research Fellow, McMaster University (1996-7, R. F. W. Bader, electron localisation in molecules and solids). Postdoctoral Research Fellow, University College London (1997-9, M. H. Abraham, fast prediction of drug absorption and distribution properties). Appointed as Cardiff Research Fellow in 1999, Lecturer in 2004 and Senior Lecturer in 2007.

研究领域

Theoretical studies of non-covalent interactions, including hydrogen bonding and π-stacking, and their role in biological and drug molecules Molecular properties to describe and predict and inter- and intramolecular interactions Prediction of solvation and transport of pharmaceutical and industrial compounds Theoretical investigation of chemical bonding and reactivity in organic and inorganic compounds

近期论文

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Lozano, H.et al. 2017. Interstrand DNA covalent binding of two dinuclear Ru(ii) complexes. Influence of the extra ring of the bridging ligand on the DNA interaction and cytotoxic activity. Dalton Transactions (10.1039/C6DT04888A) pdf Coogan, M. P. and Platts, J. A. 2016. Blue rhenium tricarbonyl DPPZ complexes - low energy charge-transfer absorption at tissue-penetrating wavelengths. Chemical Communications 52(84), pp. 12498-12501. (10.1039/C6CC07125B) pdf Nuzzo, S.et al. 2016. Characterisation of isothiocyanic acid, HNCS, in the solid state: trapped by hydrogen bonding. Chemical Communications 52(90), pp. 13296-13298. (10.1039/C6CC05971F) pdf Lai, F.et al. 2016. A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam. Physical Chemistry Chemical Physics 18(41), pp. 28802-28818. (10.1039/C6CP02690G) pdf Du, J.et al. 2016. An analysis of the experimental and theoretical charge density distributions of the piroxicam-saccharin co-crystal and its constituents. RSC Advances 6(85), pp. 81578-81590. (10.1039/C6RA10411H) pdf Tetko, I.et al. 2016. Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches. Journal of Inorganic Biochemistry 156, pp. 1-13. (10.1016/j.jinorgbio.2015.12.006) Ravera, M.et al. 2016. Antiproliferative activity of a series of cisplatin-based Pt(IV)-acetylamido/carboxylato prodrugs. Dalton Transactions 45, pp. 5300-5309. (10.1039/C5DT04905A) pdf Turner, M., Platts, J. A. and Deeth, R. J. 2016. Modeling of platinum-aryl interaction with amyloid-β peptide. Journal of Chemical Theory and Computation 12(3), pp. 1385-1392. (10.1021/acs.jctc.5b01045) pdf Lari, M.et al. 2015. Stabilization of Al(iii) solutions by complexation with cacodylic acid: speciation and binding features. Physical Chemistry Chemical Physics 17(44), pp. 29803-29813. (10.1039/C5CP04717J) Stacey, O.et al. 2015. Water soluble, cyclometalated Pt(II)–Ln(III) conjugates towards novel bimodal imaging agents. Chemical Communications 51(61), pp. 12305-12308. (10.1039/C5CC02623G) pdf Stacey, O.et al. 2015. Phosphorescent, cyclometalated cinchophen-derived platinum complexes: syntheses, structures, and electronic properties. Inorganic Chemistry , article number: 150619121705005. (10.1021/acs.inorgchem.5b00817) Steel, H.et al. 2015. Platinum trimethyl bipyridyl thiolates - new, tunable, red- to near IR emitting luminophores for bioimaging applications. Chemical Communications 51(57), pp. 11441-11444. (10.1039/C5CC04003E) pdf Platel, R. H., Coogan, M. P. and Platts, J. A. 2015. Stereoelectronic control of photophysics: red and yellow axial and equatorial anomers of a rhenium-quinoline complex. Dalton Transactions 44(26), pp. 11700-11704. (10.1039/C5DT02136G)

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