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Number of items: 198.

Platts, James A.

and Tolbatov, Iogann 2025. Insight into uranyl binding by cyclic peptides from molecular dynamics and density functional theory. Journal of Inorganic Biochemistry 264 , 112793. 10.1016/j.jinorgbio.2024.112793

Hawkins, Bryson Andrew, Adair, Liam, Ryder, William, Du, Jonathan, Najib, Elias, New, Elizabeth, Gale, Philip, Platts, James

, Groundwater, Paul and Hibbs, David 2024. Influence of halogen substituents on the photophysical properties of 7‐hydroxycoumarin: Insights from experimental and theoretical studies. ChemPhysChem 10.1002/cphc.202400812
Item availability restricted.

Newman, Paul D.

, Platts, James A.

, Alrashidi, Basheer, Pope, Simon J. A.

and Kariuki, Benson M.

2024. A noble nexus: a phosphino-phen ligand for tethering precious metals †. Dalton Transactions 53 (37) 10.1039/d4dt02130d

Payce, Ellie N., Knighton, Richard C., Platts, James A.

, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A.

2024. Luminescent Pt(II) complexes using unsymmetrical Bis(2-pyridylimino)isoindolate analogues. Inorganic Chemistry 63 (18) , 8273–8285. 10.1021/acs.inorgchem.4c00558

Platts, James A.

, Kariuki, Benson M.

and Newman, Paul D.

2024. Welcoming neighbour or inhospitable host? Selective second metal binding in 5- and 6-phospha-substituted Bpy ligands. Molecules 29 (5) , 1150. 10.3390/molecules29051150

Savva, Loizos and Platts, James A.

2024. Computational investigation of copper-mediated conformational changes in α-synuclein dimer †. Physical Chemistry Chemical Physics 26 (4) , pp. 2926-2935. 10.1039/d3cp04697d

Fioco, David

, Folli, Andrea

, Platts, James

, Chiesa, Mario and Murphy, Damien M.

2024. A continuous-wave EPR investigation into the photochemical transformations of the chromium(I) carbonyl complex [Cr(CO)4bis(diphenylphosphino)]+ and reactivity with 1-hexene. Molecules 29 (2) , 392. 10.3390/molecules29020392

Savva, Loizos and Platts, James A.

2023. Exploring the impact of mutation and post-translational modification on α-Synuclein: Insights from molecular dynamics simulations with and without copper. Journal of Inorganic Biochemistry 249 , 112395. 10.1016/j.jinorgbio.2023.112395

La Manna, Sara, Roviello, Valentina, Monaco, Vittoria, Platts, James A.

, Monti, Maria, Gabano, Elisabetta, Ravera, Mauro and Marasco, Daniela 2023. The inhibitory effects of platinum( ii ) complexes on amyloid aggregation: a theoretical and experimental approach. Dalton Transactions 52 , pp. 12677-12685. 10.1039/d3dt02187d

Savva, Loizos and Platts, James A.

2023. Evaluation of implicit solvent models in molecular dynamics simulation of α-Synuclein. Journal of Biomolecular Structure and Dynamics 41 (11) , pp. 5230-5245. 10.1080/07391102.2022.2082534

Platts, James A.

and Tolbatov, Iogann 2023. Simulation of uranyl-biomolecule interaction using a cationic dummy atom model. Chemical Physics Letters 822 , 140479. 10.1016/j.cplett.2023.140479

Savva, Loizos and Platts, James A.

2023. How Cu(II) binding affects structure and dynamics of α-synuclein revealed by molecular dynamics simulations. Journal of Inorganic Biochemistry 239 , 112068. 10.1016/j.jinorgbio.2022.112068

Leiszner, Sofie Stampe, Chakarawet, Khetpakorn, Long, Jeffrey R., Nishibori, Eiji, Sugimoto, Kunihisa, Platts, James A.

and Overgaard, Jacob 2023. Electron density analysis of metal-metal bonding in a Ni4 cluster featuring ferromagnetic exchange. Inorganic Chemistry 62 (1) , pp. 192-200. 10.1021/acs.inorgchem.2c03170

Bryce, Richard A. and Platts, James 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

Hawkins, Bryson A., Najib, Elias, Du, Jonathan J., Lai, Felcia, Platts, James A.

, Groundwater, Paul W. and Hibbs, David E. 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

Hawkins, Bryson A., Du, Jonathan J., Lai, Felcia, Stanton, Stephen A., Williams, Peter A., Groundwater, Paul W., Platts, James A.

, Overgaard, Jacob and Hibbs, David E. 2022. An experimental and theoretical charge density study of theophylline and malonic acid cocrystallization. RSC Advances 12 (25) , 15670. 10.1039/D1RA08389A

Alshammari, Nadiyah and Platts, James A.

2021. Can ionic effects induce α-sheet conformation of Peptides? Chemical Physics Letters 784 , 139095. 10.1016/j.cplett.2021.139095

Milner, Amelia, Alshammari, Nadiyah and Platts, James A.

2021. Computational study of copper binding to DAHK peptide. Inorganica Chimica Acta 528 , 120589. 10.1016/j.ica.2021.120589

Stanton, Stephen A., Du, Jonathan J., Lai, Felcia, Stanton, Gyte, Hawkins, Bryson A., Ong, Jennifer A., Groundwater, Paul W., Platts, James A.

and Hibbs, David E. 2021. Understanding hygroscopicity of theophylline via a novel cocrystal polymorph: a charge density study. The Journal of Physical Chemistry A 125 (45) , 9736–9756. 10.1021/acs.jpca.0c09536

Kennedy-Britten, Oliver D., Alshammari, Nadiyah and Platts, James A.

2021. Accelerated molecular dynamics to explore the binding of transition metals to amyloid-β. ACS Chemical Neuroscience 12 (21) , pp. 4065-4075. 10.1021/acschemneuro.1c00466

Alshammari, Nadiyah, Savva, Loizos, Kennedy-Britten, Oliver and Platts, James A.

2021. Forcefield evaluation and accelerated molecular dynamics simulation of Zn(II) binding to N-terminus of amyloid-β. Computational Biology and Chemistry 93 , 107540. 10.1016/j.compbiolchem.2021.107540

Hawkins, Bryson A., Han, Jaeyeon, Du, Jonathan J., Lai, Felcia, Stanton, Stephen A., Divakarla, Shravan S., Groundwater, Paul W., Platts, James A.

and Hibbs, David E. 2021. Analyzing hydration differences in cocrystal polymorphs: high-resolution X-ray investigation of caffeine-glutaric acid cocrystals. Crystal Growth and Design 21 (8) , pp. 4456-4467. 10.1021/acs.cgd.1c00358

Sharma, Gitanjali, Newman, Paul D.

and Platts, James A.

2021. A review of quantum chemical studies of frustrated Lewis pairs. Journal of Molecular Graphics and Modelling 105 , 107846. 10.1016/j.jmgm.2021.107846

Mala, Barbora, Murtagh, Laura E., Farrow, Charlotte M. A., Akien, Geoffrey R., Halcovich, Nathan R., Allinson, Sarah L., Platts, James A.

and Coogan, Michael P. 2021. Photochemical oxidation of Pt(IV)Me3(1,2-diimine) thiolates to luminescent Pt(IV) sulfinates. Inorganic Chemistry 60 (10) , pp. 7031-7143. 10.1021/acs.inorgchem.0c03553

Kennedy-Britten, Oliver, Al Shammari, Nadiyah and Platts, James A.

2021. Molecular dynamics simulations of copper binding to N-terminus mutants of amyloid-β. Journal of Biomolecular Structure and Dynamics 39 (6) , pp. 2003-2013. 10.1080/07391102.2020.1745692

Folli, Andrea

, Ritterskamp, Nadine, Richards, Emma

, Platts, James A.

and Murphy, Damien M.

2021. Probing the structure of copper(II)-casiopeina type coordination complexes [Cu(O-O)(N-N)]+ by EPR and ENDOR spectroscopy. Journal of Catalysis 394 , pp. 220-227. 10.1016/j.jcat.2020.07.016

Kariuki, Benson M.

, Platts, James A.

and Newman, Paul D.

2021. A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes. RSC Advances 11 (54) , pp. 34170-34173. 10.1039/D1RA06581E

Alshammari, Nadiyah and Platts, James A.

2020. Theoretical study of copper binding to GHK peptide. Computational Biology and Chemistry 86 , 107265. 10.1016/j.compbiolchem.2020.107265

Sharma, Gitanjali, Newman, Paul D.

, Melen, Rebecca

and Platts, James A.

2020. Computational design of an intramolecular frustrated Lewis pair catalyst for enantioselective hydrogenation. Journal of Theoretical and Computational Chemistry 19 , 2. 10.1142/S0219633620500091

Oberkofler, Jens, Aikman, Brech, Bonsignore, Riccardo

, Pöthig, Alexander, Platts, James

, Casini, Angela

and Kühn, Fritz E. 2020. Exploring the reactivity and biological effects of heteroleptic N-Heterocyclic carbene gold(I)-Alkynyl complexes. European Journal of Inorganic Chemistry 2020 (11-12) , pp. 1040-1051. 10.1002/ejic.201901043

Platts, James A.

2020. Quantum chemical molecular dynamics and metadynamics simulation of aluminium binding to amyloid-β and related peptides. Royal Society Open Science 7 (2) , -. 10.1098/rsos.191562

Mutter, Shaun T., Turner, Matthew, Deeth, Robert J. and Platts, James A.

2020. Molecular dynamics simulations of copper binding to amyloid-β Glu22 mutants. Heliyon 6 (1) , e03071. 10.1016/j.heliyon.2019.e03071

Platts, James A.

and Baker, Robert J. 2020. A computational investigation of orbital overlap versus energy degeneracy covalency in [UE2]2+ (E = O, S, Se, Te) complexes. Dalton Transactions 49 (4) 10.1039/C9DT04484A

Luckham, Stephen L. J., Folli, Andrea

, Platts, James A.

, Richards, Emma

and Murphy, Damien M.

2019. Unravelling the photochemical transformations of chromium(I) 1,3 Bis(diphenylphosphino), [Cr(CO)4(dppp)]+, by EPR spectroscopy. Organometallics 38 (12) , -. 10.1021/acs.organomet.9b00226

Permyakov, Eugene A., Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D. and Platts, James A.

2019. Molecular dynamics simulation of aluminum binding to amyloid-β and its effect on peptide structure. PLoS ONE 14 (6) , e0217992. 10.1371/journal.pone.0217992

Tzoupis, Haralambos, Nteli, Agathi, Platts, Jamie

, Mantzourani, Efi

and Tselios, Theodore 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

Müller, Katharina, Foerstendorf, Harald, Steudtner, Robin, Tsushima, Satoru, Kumke, Michael U., Lefèvre, Grégory, Rothe, Jörg, Mason, Harris, Szabó, Zoltán, Yang, Ping, Adam, Christian K. R., André, Rémi, Brennenstuhl, Katlen, Chiorescu, Ion, Cho, Herman M., Creff, Gaëlle, Coppin, Frédéric, Dardenne, Kathy, Den Auwer, Christophe, Drobot, Björn, Eidner, Sascha, Hess, Nancy J., Kaden, Peter, Kremleva, Alena, Kretzschmar, Jerome, Krüger, Sven, Platts, James A.

, Panak, Petra J., Polly, Robert, Powell, Brian A., Rabung, Thomas, Redon, Roland, Reiller, Pascal E., Rösch, Notker, Rossberg, André, Scheinost, Andreas C., Schimmelpfennig, Bernd, Schreckenbach, Georg, Skerencak-Frech, Andrej, Sladkov, Vladimir, Solari, Pier Lorenzo, Wang, Zheming, Washton, Nancy M. and Zhang, Xiaobin 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

Turner, Matthew, Mutter, Shaun and Platts, James

2019. Molecular dynamics simulation on the effect of transition metal binding to the n-terminal fragment of amyloid-β. Journal of Biomolecular Structure and Dynamics 37 (17) , pp. 4590-4600. 10.1080/07391102.2018.1555490

Wenzel, Margot N.

, Mósca, Andreia F., Graziani, Valentina, Aikman, Brech, Thomas, Sophie R., De Almeida, Andreia

, Platts, James A.

, Re, Nazzareno, Coletti, Cecilia, Marrone, Alessandro, Soveral, Graça and Casini, Angela

2019. Insights into the mechanisms of aquaporin-3 inhibition by gold(III) complexes: the importance of non-coordinative adduct formation. Inorganic Chemistry 58 (3) , -. 10.1021/acs.inorgchem.8b03233

Nuzzo, Stefano, van Leusen, Jan, Twamley, Brendan, Platts, James A.

, Kögerler, Paul and Baker, Robert J. 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

Turner, Matthew, Mutter, Shaun T., Kennedy-Britten, Oliver D. and Platts, James A.

2019. Replica exchange molecular dynamics simulation of the coordination of Pt(ii)-Phenanthroline to amyloid-β†. RSC Advances 9 (60) , pp. 35089-35097. 10.1039/C9RA04637B

Mutter, Shaun T., Turner, Matthew, Deeth, Robert J. and Platts, James A.

2018. Metal binding to amyloid β1-42: a ligand field molecular dynamics study. ACS Chemical Neuroscience 9 (11) , pp. 2795-2806. 10.1021/acschemneuro.8b00210

Hallett, Andrew J., Placet, Emeline, Prieux, Roxane, McCafferty, Danielle, Platts, James A.

, Lloyd, David

, Isaacs, Marc, Hayes, Anthony J., Coles, Simon J., Pitak, Mateusz B., Marchant, Sarah, Marriott, Stephen N., Allemann, Rudolf K.

, Dervisi, Athanasia

and Fallis, Ian A.

2018. Exploring the cellular uptake and localisation of phosphorescent rhenium fac-tricarbonyl metallosurfactants as a function of lipophilicity. Dalton Transactions 47 (40) , pp. 14241-14253. 10.1039/C8DT00669E

Platts, James A.

and Baker, Robert J. 2018. Non-covalent interactions of uranyl complexes: a theoretical study. Physical Chemistry Chemical Physics 20 (22) , pp. 15380-15388. 10.1039/C8CP02444H

Nuzzo, Stefano, Twamley, Brendan, Platts, James A

and Baker, Robert J. 2018. Pseudohalide tectons within the coordination sphere of the uranyl ion: experimental and theoretical study of C-H···O, C-H···S, and chalcogenide noncovalent interactions. Inorganic Chemistry 57 (7) , pp. 3699-3712. 10.1021/acs.inorgchem.7b02967

Du, Jonathan J., Hanrahan, Jane R., Solomon, V. Raja, Williams, Peter A., Groundwater, Paul W., Overgaard, Jacob, Platts, James A.

and Hibbs, David E. 2018. Exploring the binding of barbital to a synthetic macrocyclic receptor. A charge density study. Journal of Physical Chemistry A 122 (11) , pp. 3031-3044. 10.1021/acs.jpca.7b11674

Turner, Matthew, Mutter, Shaun, Deeth, Robert J. and Platts, James

2018. Ligand field molecular dynamics simulation of Pt(II)-phenanthroline binding to N-terminal fragment of amyloid-β peptide. PLoS ONE 13 (3) , -. 10.1371/journal.pone.0193668

Farrow, Charlotte M. A., Akien, Geoffrey R., Halcovitch, Nathan R., Platts, James A.

and Coogan, M. P. 2018. Self-assembly of singlet-emitting double-helical silver dimers: the curious coordination chemistry and fluorescence of bisquinolylpyridone. Dalton Transactions 47 (11) , pp. 3906-3912. 10.1039/C7DT04744D

Du, Jonathan, Lai, Felcia, Váradi, Linda, Williams, Peter, Groundwater, Paul, Platts, James A.

, Hibbs, David and Overgaard, Jacob 2018. Monoclinic paracetamol vs. paracetamol-4,4'-bipyridine co-crystal; what is the difference? a charge density study. Crystals 8 (1) , -. 10.3390/cryst8010046

Du, Jonathan J., Stanton, Stephen A., Williams, Peter A., Ong, Jennifer A., Groundwater, Paul W., Overgaard, Jacob, Platts, James A.

and Hibbs, David E 2018. Using electron density to predict synthon formation in a 4-hydroxybenzoic acid : 4,4'-bipyridine co-crystal. Crystal Growth and Design 18 (3) , pp. 1786-1798. 10.1021/acs.cgd.7b01676

Biswas, Saptarshi, Ma, Shuwen, Nuzzo, Stefano, Twamley, Brendan, Russell, Andrew T., Platts, James A.

, Hartl, František and Baker, Robert J. 2017. Structural variability of 4f and 5f thiocyanate complexes and dissociation of uranium(III)‒ thiocyanate bonds with increased ionicity. Inorganic Chemistry 56 (23) , pp. 14426-14437. 10.1021/acs.inorgchem.7b01560

Omorodion, Harrison, Palenzuela, Miguel, Ruether, Manuel, Twamley, Brendan, Platts, James

and Baker, Robert J. 2017. A rationally designed perfluorinated host for the extraction of PFOA from water utilising non-covalent interactions. New Journal of Chemistry 42 , pp. 7956-7968. 10.1039/C7NJ03026F

Wilkins, Lewis C., Melen, Rebecca L.

, Platts, James A.

and Newman, Paul D.

2017. Amidine functionalized phosphines: tuneable ligands for transition metals. Dalton Transactions 46 (41) , pp. 14234-14243. 10.1039/C7DT03343E

Farrell, David, Kingston, Samuel, Tungulin, Dmitri, Nuzzo, Stefano, Twamley, Brendan, Platts, James A.

and Baker, Robert J. 2017. N-Aryl-9,10-phenanthreneimines as scaffolds for exploring non-covalent interactions: a structural and computational study. European Journal of Organic Chemistry 2017 (37) , pp. 5597-5609. 10.1002/ejoc.201700884

Graziani, Valentina, Marrone, Alessandro, Re, Nazzareno, Coletti, Cecilia, Platts, James A.

and Casini, Angela

2017. A multilevel theoretical study to disclose the binding mechanisms of gold(III) bipyridyl compounds as selective aquaglyceroporin inhibitors. Chemistry - a European Journal 23 (55) , pp. 13802-13813. 10.1002/chem.201703092

Ritterskamp, Nadine, Sharples, Katherine, Richards, Emma

, Folli, Andrea

, Chiesa, Mario, Platts, James A.

and Murphy, Damien M.

2017. Understanding the coordination modes of [Cu(acac)2(imidazole)n=1,2] adducts by EPR, ENDOR, HYSCORE, and DFT analysis. Inorganic Chemistry 56 (19) , pp. 11862-11875. 10.1021/acs.inorgchem.7b01874

Ould, Darren M. C., Rigby, Alex C., Wilkins, Lewis C., Adams, Samuel J., Platts, James A.

, Pope, Simon J. A.

, Richards, Emma

and Melen, Rebecca L.

2017. Investigations into the photophysical and electronic properties of pnictoles and Their pnictenium counterparts. Organometallics 37 (5) , pp. 712-719. 10.1021/acs.organomet.7b00564

Gabano, Elisabetta, Perin, Elena, Fielden, Catherine, Platts, James Alexis

, Gallina, Andrea, Rangone, Beatrice and Ravera, Mauro 2017. How to obtain Pt(IV) complexes suitable for the conjugation to nanovectors from the oxidation of [PtCl(terpyridine)]+. Dalton Transactions 46 (31) , pp. 10246-10254. 10.1039/C7DT01706E

Turner, Matthew, Deeth, Robert J. and Platts, James Alexis

2017. Prediction of ligand effects in platinum-amyloid-β coordination. Journal of Inorganic Biochemistry 173 , pp. 44-51. 10.1016/j.jinorgbio.2017.05.003

Ayres, James, Ashford, Matthew, Stockl, Yannick, Prudhomme, Vassili, Ling, Kenneth B., Platts, James

and Morrill, Louis

2017. Deoxycyanamidation of alcohols with N-Cyano-N-phenyl-p-methylbenzenesulfonamide (NCTS). Organic Letters 19 (14) , pp. 3835-3838. 10.1021/acs.orglett.7b01710

Groves, Lara M., Schotten, Christiane, Beames, Joseph

, Platts, James A.

, Coles, Simon J., Horton, Peter N., Browne, Duncan L.

and Pope, Simon J. A.

2017. From ligand to phosphor: rapid, machine-assisted synthesis of substituted iridium(III) pyrazolate complexes with tuneable luminescence. Chemistry - A European Journal 23 (39) , pp. 9407-9418. 10.1002/chem.201701551

Ullah, Hussain, Twamley, Brendan, Waseem, Amir, Khawar Rauf, Muhammed, Tahir, Muhammad Nawaz, Platts, James A

and Baker, Robert J. 2017. Tin…oxygen tetrel bonding: a combined structural, spectroscopic and computational study. Crystal Growth and Design 17 (7) , pp. 4021-4027. 10.1021/acs.cgd.7b00678

Yannakakis, Mary-Patricia, Simal, Carmen, Tzoupis, Haralambos, Rodi, Maria, Dargahi, Narges, Prakash, Monica, Mouzaki, Athanasia, Platts, James Alexis

, Apostolopoulos, Vasso and Tselios, Theodore 2017. Design and synthesis of non-peptide mimetics mapping the immunodominant myelin basic protein (MBP83-96) epitope to function as T-Cell receptor antagonists. International Journal of Molecular Sciences 18 (6) , 1215. 10.3390/ijms18061215

Mutter, Shaun, Deeth, Robert J., Turner, Matthew and Platts, James Alexis

2017. Benchmarking of copper(II) LFMM parameters for studying amyloid-β peptides. Journal of Biomolecular Structure and Dynamics 36 (5) , pp. 1145-1153. 10.1080/07391102.2017.1313780

Lozano, Héctor J., Busto, Natalia, Espino, Gustavo, Carbayo, Arancha, Leal, José M., Platts, James

and García, Begoña 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 11 , pp. 3611-3622. 10.1039/C6DT04888A

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

Nuzzo, Stefano, Twamley, Brendan, Platts, James Alexis

and Baker, Robert J. 2016. Characterisation of isothiocyanic acid, HNCS, in the solid state: trapped by hydrogen bonding. Chemical Communications 52 (90) , pp. 13296-13298. 10.1039/C6CC05971F

Lai, Felcia, Du, Jonathan J., Williams, Peter A., Váradi, Linda, Baker, Daniel, Groundwater, Paul W., Overgaard, Jacob, Platts, James Alexis

and Hibbs, David E. 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

Du, Jonathan J., Váradi, Linda, Williams, Peter A., Groundwater, Paul W., Overgaard, Jacob, Platts, James Alexis

and Hibbs, David E. 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

Turner, Matthew, Platts, James A.

and Deeth, Robert 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

Tetko, Igor V., Varbanov, Hristo P., Galanski, Markus, Talmaciu, Mona, Platts, James Alexis

, Ravera, Mauro and Gabano, Elisabetta 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, Mauro, Gabano, Elisabetta, Zanellato, Ilaria, Fregonese, Federico, Pelosi, Giorgio, Platts, James Alexis

and Osella, Domenico 2016. Antiproliferative activity of a series of cisplatin-based Pt(IV)-acetylamido/carboxylato prodrugs. Dalton Transactions 45 , pp. 5300-5309. 10.1039/C5DT04905A

Lari, Matteo, Lozano, Héctor J., Busto, Natalia, Biver, Tarita, Leal, José M., Ibeas, Saturnino, Platts, James Alexis

, Secco, Fernando and Garcia, Begoña 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, Oliver J., Amoroso, Angelo James

, Platts, James Alexis

, Horton, Peter N., Coles, Simon J., Lloyd, David

, Williams, Catrin Ffion

, Hayes, Anthony Joseph, Dunsford, Jay J. and Pope, Simon J. A.

2015. Water soluble, cyclometalated Pt(II)–Ln(III) conjugates towards novel bimodal imaging agents. Chemical Communications 51 (61) , pp. 12305-12308. 10.1039/C5CC02623G

Steel, Harriet L., Allinson, Sarah L., Andre, Jane, Coogan, Michael P. and Platts, James A.

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

Stacey, Oliver J., Platts, James Alexis

, Coles, Simon J., Horton, Peter N. and Pope, Simon J. A.

2015. Phosphorescent, cyclometalated cinchophen-derived platinum complexes: syntheses, structures, and electronic properties. Inorganic Chemistry , 150619121705005. 10.1021/acs.inorgchem.5b00817

Platel, Rachel H., Coogan, Michael P. and Platts, James Alexis

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

Omorodion, Harrison, Twamley, Brendan, Platts, James Alexis

and Baker, Robert James 2015. Further evidence on the importance of fluorous-fluorous interactions in supramolecular chemistry: a combined structural and computational study. Crystal Growth and Design 15 (6) , pp. 2835-2841. 10.1021/acs.cgd.5b00254

Carter, Emma

, Sharples, Katherine Mary, Platts, James Alexis

and Murphy, Damien Martin

2015. Structure determination of bound nitrogen-based adducts with copper(ii) acetylacetonato; an EPR, ENDOR and DFT study. Physical Chemistry Chemical Physics 17 (17) , pp. 11445-11454. 10.1039/C5CP00559K

Margiotta, Nicola, Petruzzella, Emanuele, Platts, James Alexis

, Mutter, Shaun T., Deeth, Robert J., Ranaldo, Rosa, Papadia, Paride, Marzilli, Patricia A., Marzilli, Luigi G., Hoeschele, James D. and Natile, Giovanni 2015. DNA fragment conformations in adducts with Kiteplatin. Dalton Transactions 44 (8) , pp. 3544-3556. 10.1039/C4DT01796J
Item availability restricted.

Hibbs, David, Du, Jonathan James, Váradi, Linda, Tan, Jinlong, Zhao, Yiliang, Groundwater, P. W. and Platts, James Alexis

2015. Experimental and theoretical charge density distribution in pigment yellow 101. Physical Chemistry Chemical Physics 17 (6) , pp. 4677-4686. 10.1039/C4CP04302B

Carvalho, Alexandra Teresa Pires, Gouveia, Maria Leonor, Raju Kanna, Charan, Wärmländer, Sebastian K. T. S., Platts, James Alexis

and Kamerlin, Shina Caroline Lynn 2015. Theoretical modelling of epigenetically modified DNA sequences. F1000Research 4 , 52. 10.12688/f1000research.6148.1

Carvalho, Alexandra T. P., Gouveia, Leonor, Kanna, Charan Raju, Wärmländer, Sebastian K T S, Platts, James Alexis

and Kamerlin, Shina Caroline Lynn 2015. Understanding the structural and dynamic consequences of DNA epigenetic modifications: Computational insights into cytosine methylation and hydroxymethylation. Epigenetics 9 (12) , pp. 1604-1612. 10.4161/15592294.2014.988043

Mutter, Shaun T., Margiotta, Nicola, Papadia, Paride and Platts, James Alexis

2015. Computational evidence for structural consequences of kiteplatin damage on DNA. Journal of Biological Inorganic Chemistry 20 (1) , p. 35. 10.1007/s00775-014-1207-5

Stokes, Emily C., Langdon-Jones, Emily, Groves, Lara M., Platts, James Alexis

, Horton, Peter N., Fallis, Ian A.

, Coles, Simon J. and Pope, Simon J. A.

2015. Cationic, luminescent cyclometalated iridium(iii) complexes based on substituted 2-phenylthiazole ligands. Dalton Transactions 44 (18) , pp. 8488-8496. 10.1039/C4DT03054K

Du, Jonathan J., Váradi, Linda, Tan, Jinlong, Zhao, Yiliang, Groundwater, Paul W., Platts, James Alexis

and Hibbs, David E. 2015. Correction: Experimental and theoretical charge density distribution in Pigment Yellow 101. Physical Chemistry Chemical Physics 17 (9) , p. 6667. 10.1039/C5CP90018B

Wu, Lai-Chin, Jones, Cameron, Stasch, Andreas, Platts, James Alexis

and Overgaard, Jacob 2014. Non-nuclear attractor in a molecular compound under external pressure. European Journal of Inorganic Chemistry 2014 (32) , pp. 5536-5540. 10.1002/ejic.201402606

Overgaard, Jacob, Walsh, James P. S., Hathwar, Venkatesha R., Jørgensen, Mads R. V., Hoffman, Christina, Platts, James Alexis

, Piltz, Ross and Winpenny, Richard E. P. 2014. Relationships between electron density and magnetic properties in water-bridged dimetal complexes. Inorganic Chemistry 53 (21) , pp. 11531-11539. 10.1021/ic501411w

Brazier, John B., Gibbs, Timothy J. K., Rowley, Julian H., Samulis, Leopold, Yau, Sze Chak, Kennedy, Alan R., Platts, James Alexis

and Tomkinson, Nicholas C. O. 2014. Improving catalyst activity in secondary amine catalysed transformations. Organic & Biomolecular Chemistry 13 (1) , pp. 133-141. 10.1039/C4OB01916D

Johns, Jeffrey J. and Platts, James Alexis

2014. Theoretical insight into the antioxidant properties of melatonin and derivatives. Organic and Biomolecular Chemistry 12 , pp. 7820-7827. 10.1039/C4OB01396D

Senthil Kumar, Gopal, Satheeshkumar, Rajendran, Kaminsky, Werner, Platts, James Alexis

and Rajendra Prasad, Karnam Jayarampillai 2014. A facile regioselective 1,3-dipolar cycloaddition protocol for the synthesis of new class of quinolinyl dispiro heterocycles. Tetrahedron Letters 55 (40) , pp. 5475-5480. 10.1016/j.tetlet.2014.08.036

Hashem, Emtithal, Platts, James Alexis

, Hartl, František, Lorusso, Giulia, Evangelisti, Marco, Schulzke, Carola and Baker, Robert J. 2014. Thiocyanate complexes of uranium in multiple oxidation states: a combined structural, magnetic, spectroscopic, spectroelectrochemical and theoretical study. Inorganic Chemistry 53 (16) , pp. 8624-8637. 10.1021/ic501236j

Sankaran, Mathan, Uvarani, Chokkalingam, Chandraprakash, Kumarasamy, Lekshmi, Swathi U., Suparna, Sengupta, Platts, James Alexis

and Mohan, Palathurai Subramaniam 2014. A regioselective multicomponent protocol for the synthesis of novel bioactive 4-hydroxyquinolin-2(1H)-one grafted monospiropyrrolidine and thiapyrrolizidine hybrids. Molecular Diversity 18 (2) , pp. 269-283. 10.1007/s11030-013-9498-y

Zhang, Weimin, Ning, Fuqiang, Váradi, Linda, Hibbs, David E., Platts, James Alexis

, Nyerges, Miklós, Anderson, Rosaleen J. and Groundwater, Paul W. 2014. An investigation of the scope of the 1,7-electrocyclization of α,β:γ,δ-conjugated azomethine ylides. Tetrahedron 70 (22) , pp. 3621-3629. 10.1016/j.tet.2014.03.078

Gkionis, Konstantinos, Kruse, Holger, Platts, James Alexis

, Mladek, Arnost, Koca, Jaroslav and Sponer, Jiri 2014. Ion binding to quadruplex DNA stems. Comparison of MM and QM descriptions reveals sizable polarization effects not included in contemporary simulations. Journal of Chemical Theory and Computation 10 (3) , pp. 1326-1340. 10.1021/ct4009969

Kariuki, Benson

, Platts, James Alexis

and Newman, Paul David

2014. It's all about Me: methyl-induced control of coordination stereochemistry by a flexible tridentate N,C,N′ ligand. Dalton Transactions 43 (7) , pp. 2971-2978. 10.1039/c3dt52841c

Robertazzi, A., Platts, James Alexis

and Gamez, P. 2014. Anion⋅⋅⋅Si interactions in an inverse sandwich complex: a computational study. ChemPhysChem 15 (5) , pp. 912-917. 10.1002/cphc.201400018

Thorp-Greenwood, Flora Lottie, Platts, James Alexis

and Coogan, Michael Peter 2014. Experimental and theoretical characterisation of phosphorescence from rhenium polypyridyl tricarbonyl complexes. Polyhedron 67 , pp. 505-512. 10.1016/j.poly.2013.09.033

Meleshko, Glib, Kulhavy, Jiri, Paul, Alison

, Willock, David James

and Platts, James Alexis

2014. All-atom molecular dynamics simulation of HPMA polymers. RSC Advances 4 (14) , pp. 7003-7012. 10.1039/c3ra46386a

Husby, Jarmila, Todd, Alan K., Platts, James Alexis

and Neidle, Stephen 2013. Small-molecule G-quadruplex interactions: Systematic exploration of conformational space using multiple molecular dynamics. Biopolymers 99 (12) , pp. 989-1005. 10.1002/bip.22340

Platts, James Alexis

, Thomsen, Maja K. and Overgaard, Jacob 2013. Electron localisation in Ga-Heterocyclic compounds. Zeitschrift für anorganische und allgemeine Chemie 639 (11) , pp. 1979-1984. 10.1002/zaac.201200498

Sharples, Katherine Mary, Carter, Emma

, Hughes, Colan Evan, Harris, Kenneth David Maclean

, Platts, James Alexis

and Murphy, Damien Martin

2013. An ENDOR and DFT analysis of hindered methyl group rotations in frozen solutions of bis(acetylacetonato)-copper(ii). Physical Chemistry Chemical Physics 15 (36) , pp. 15214-15222. 10.1039/c3cp52464g

Henry, Kelly E., Balasingham, Rebeca, Vortherms, Anthony R., Platts, James Alexis

, Valliant, John F., Coogan, Michael P., Zubieta, Jon and Doyle, Robert P. 2013. Emission wavelength variation with changes in excitation in a Re(i)-bisthiazole ligand complex that breaks the Kasha-Vavilov rule. Chemical Science 4 (6) , pp. 2490-2495. 10.1039/c3sc22070b

Smith, Rebecca A., Stokes, Emily C., Langdon-Jones, Emily Elizabeth, Platts, James Alexis

, Kariuki, Benson

, Hallett, Andrew Jon and Pope, Simon J. A.

2013. Cyclometalated cinchophen ligands on iridium(iii): towards water-soluble complexes with visible luminescence. Dalton Transactions 42 (28) , pp. 10347-10357. 10.1039/c3dt51098k

Pritchard, Victoria E., Thorp-Greenwood, Flora Lottie, Balasingham, Rebeca, Williams, Catrin Ffion

, Kariuki, Benson

, Platts, James Alexis

, Hallett, Andrew Jon and Coogan, Michael Peter 2013. Simple Polyphenyl Zirconium and Hafnium Metallocene Room-Temperature Lumophores for Cell Imaging. Organometallics 32 (12) , pp. 3566-3569. 10.1021/om400212y

Gkionis, Konstantinos, Mutter, Shaun and Platts, James Alexis

2013. QM/MM description of platinum-DNA interactions: comparison of binding and DNA distortion of five drugs. RSC Advances 3 (12) , pp. 4066-4073. 10.1039/c3ra23041d

Langdon-Jones, Emily Elizabeth, Hallett, Andrew Jon, Routledge, Jack D., Crole, David Alexander, Ward, Benjamin David

, Platts, James Alexis

and Pope, Simon J. A.

2013. Using substituted cyclometalated quinoxaline ligands to finely tune the luminescence properties of iridium(III) complexes. Inorganic Chemistr 52 (1) , pp. 448-456. 10.1021/ic301853t

Morris, Josephine Lydia, Reddington, Samuel C., Murphy, Damien Martin

, Jones, Darran Dafydd

, Platts, James Alexis

and Tippmann, Eric Michael 2013. Aryl azide photochemistry in defined protein environments. Organic Letters 15 (4) , pp. 728-731. 10.1021/ol3028779

Jones, Gareth, Robertazzi, Arutro and Platts, James Alexis

2013. Efficient and accurate theoretical methods to investigate anion-π interactions in protein model structures. Journal of Physical Chemistry B 117 (12) , pp. 3315-3322. 10.1021/jp400345s

Hashem, Emtithal, Swinburne, Adam N., Schulzke, Carola, Evans, Rachel C., Platts, James Alexis

, Kerridge, Andrew, Natrajan, Louise S. and Baker, Robert J. 2013. Emission spectroscopy of uranium(iv) compounds: a combined synthetic, spectroscopic and computational study. RSC Advances 3 (13) , pp. 4350-4361. 10.1039/c3ra22712j

Ermondi, Giuseppe, Caron, Giulia, Ravera, Mauro, Gabano, Elisabetta, Bianco, Sabrina, Platts, James Alexis

and Osella, Domenico 2013. Molecular interaction fields vs. quantum-mechanical-based descriptors in the modelling of lipophilicity of platinum(iv) complexes. Dalton Transactions 42 (10) , pp. 3482-3489. 10.1039/c2dt32360e

Platts, James Alexis

, Hill, J. Grant, Riley, Kevin E., Rezác, Jan and Hobza, Pavel 2013. Basis set dependence of interaction energies computed using composite post-MP2 Methods. Journal of Chemical Theory and Computation 9 (1) , pp. 330-337. 10.1021/ct300842d

Carter, Emma

, Cavell, Kingsley John, Gabrielli, William F., Hanton, Martin J., Hallett, Andrew Jon, McDyre, Lucia, Platts, James Alexis

, Smith, David M. and Murphy, Damien Martin

2013. Formation of [Cr(CO)x(Ph2PN(iPr)PPh2)]+Structural Isomers by Reaction of Triethylaluminum with a ChromiumN,N-Bis(diarylphosphino)amine Complex [Cr(CO)4(Ph2PN(iPr)PPh2)]+: An EPR and DFT Investigation. Organometallics 32 (6) , pp. 1924-1931. 10.1021/om400029y

Hashem, Emtithal, Lorusso, Guilia, Evangelisti, Marco, McCabe, Thomas, Schulzke, Carola, Platts, James Alexis

and Baker, Robert J. 2013. Fingerprinting the oxidation state of U(IV) by emission spectroscopy. Dalton Transactions 41 , pp. 14677-14680. 10.1039/c3dt52151f

McCormick, Laura J., McDonnell-Worth, Ciaran, Platts, James Alexis

, Edwards, Alison J. and Turner, David R. 2013. Investigation of steric influences on hydrogen-bonding motifs in cyclic ureas by using x-ray, neutron, and computational methods. Chemistry - An Asian Journal 8 (11) , pp. 2642-2651. 10.1002/asia.201300530

Platts, James Alexis

, Ravera, Mauro, Gabano, Elisabetta, Sardi, Manuele, Bianco, Sabrina and Osella, Domenico 2012. Solvolysis of a series of cisplatin-like complexes - comparison between DNA-biosensor and conductivity data. European Journal of Inorganic Chemistry 2012 (34) , pp. 5625-5631. 10.1002/ejic.201200677

Futera, Zdenek, Platts, James Alexis

and Burda, Jaroslav V. 2012. Binding of piano-stool Ru(II) complexes to DNA; QM/MM study. Journal of Computational Chemistry 33 (26) , pp. 2092-2101. 10.1002/jcc.23045

Routledge, Jack D., Hallett, Andrew Jon, Platts, James Alexis

, Horton, Peter N., Coles, Simon J. and Pope, Simon J. A,

2012. Tuning the electronics of phosphorescent, amide-functionalized, cyclometalated IrIII complexes: Syntheses, structures, spectroscopy and theoretical Studies. European Journal of Inorganic Chemistry 2012 (25) , pp. 4065-4075. 10.1002/ejic.201200647

Gkionis, Konstantinos and Platts, James Alexis

2012. QM/MM studies of cisplatin complexes with DNA dimer and octamer. Computational and Theoretical Chemistry 993 , pp. 60-65. 10.1016/j.comptc.2012.05.034

Platts, James Alexis

, Maarof, Hasmerya, Harris, Kenneth David Maclean

, Lim, Gin Keat and Willock, David James

2012. The effect of intermolecular hydrogen bonding on the planarity of amides. Physical Chemistry Chemical Physics 14 (34) , pp. 11944-11952. 10.1039/c2cp41716b

Nguyen, Than Ha, Howard, Sian T., Hanrahan, Jane R., Groundwater, Paul William, Platts, James Alexis

and Hibbs, David E 2012. Experimental and Theoretical Charge Density Distribution in a Host-Guest System: Synthetic Terephthaloyl Receptor Complexed to Adipic Acid. The Journal of Physical Chemistry A 116 (23) , pp. 5618-5628. 10.1021/jp210803m

Baker, Robert J., Colavita, Paula E., Murphy, Deirdre M., Platts, James Alexis

and Wallis, John D. 2012. Fluorine-fluorine interactions in the solid state: an experimental and theoretical Study. The Journal of Physical Chemistry A 116 (5) , pp. 1435-1444. 10.1021/jp2099976

Griffith, Darren M., Bíró, Linda, Platts, James Alexis

, Müller-Bunz, Helge, Farkas, Etelka and Buglyó, Péter 2012. Synthesis and solution behaviour of stable mono-, di- and trinuclear Pd(II) complexes of 2,5-pyridinedihydroxamic acid: X-ray crystal structure of a novel Pd(II) hydroxamato complex. Inorganica Chimica Acta 380 , pp. 291-300. 10.1016/j.ica.2011.09.050

Riley, Kevin E., Platts, James Alexis

, Řezáč, Jan, Hobza, Pavel and Hill, J. Grant 2012. Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions. The Journal of Physical Chemistry A 116 (16) , pp. 4159-4169. 10.1021/jp211997b

Nguyen, Thanh Ha, Groundwater, Paul W., Platts, James Alexis

and Hibbs, David E. 2012. Experimental and Theoretical Charge Density Studies of 8-Hydroxyquinoline Cocrystallized with Salicylic Acid. The Journal of Physical Chemistry A 116 (13) , pp. 3420-3427. 10.1021/jp2108076

Margiotta, Nicola, Marzano, Cristina, Gandin, Valentina, Osella, Domenico, Ravera, Mauro, Gabano, Elisabetta, Platts, James Alexis

, Petruzzella, Emanuele, Hoeschele, James D. and Natile, Giovanni 2012. Revisiting [PtCl2(cis-1,4-DACH)]: an underestimated antitumor drug with potential application to the treatment of oxaliplatin-refractory colorectal cancer. Journal of Medicinal Chemistry 55 (16) , pp. 7182-7192. 10.1021/jm3006838

Mutter, Shaun Thomas and Platts, James Alexis

2011. Density functional theory studies of interactions of ruthenium arene complexes with base pair steps. Journal of Physical Chemistry A 115 (41) , pp. 11293-11302. 10.1021/jp2049487

Moreno, Elsa, Gabano, Elisabetta, Torres, Enrique, Platts, James Alexis

, Ravera, Mauro, Aldana, Ignacio, Monge, Antonio and Perez-Silanes, Silvia 2011. Studies on log pow of quinoxaline di-N-Oxides: a comparison of RP-HPLC experimental and predictive approaches. Molecules 16 (9) , pp. 7893-7908. 10.3390/molecules16097893

Platts, James Alexis

, Ermondi, Giuseppe, Caron, Giulia, Ravera, Mauro, Gabano, Elisabetta, Gaviglio, Luca, Pelosi, Georgio and Osella, Domenico 2011. Molecular and statistical modeling of reduction peak potential and lipophilicity of platinum(IV) complexes. Journal of Biological Inorganic Chemistry 16 (3) , pp. 361-372. 10.1007/s00775-010-0731-1

Edwards, Peter G.

, Kariuki, Benson

, Limon, Matthieu Deniel, Ooi, Liling, Platts, James Alexis

and Newman, Paul David

2011. Metal complexes of a structurally embellished phosphinane ligand: an assessment of stereoelectronic effects. European Journal of Inorganic Chemistry 2011 (8) , pp. 1230-1239. 10.1002/ejic.201001170

McDyre, Lucia, Carter, Emma

, Cavell, Kingsley John, Murphy, Damien Martin

, Platts, James Alexis

, Sampford, Katharine R., Ward, Benjamin David

, Gabrielli, William, Hanton, Martin J. and Smith, David M. 2011. Intramolecular formation of a CrI(bis-arene) species via TEA activation of [Cr(CO)4(Ph2P(C3H6)PPh2)]+: sn EPR and DFT investigation. Organometallics 30 (17) , pp. 4505-4508. 10.1021/om2006062

Platts, James Alexis

, Overgaard, Jacob, Jones, Cameron, Iversen, Bo B. and Stasch, Andreas

2011. First experimental characterization of a non-nuclear attractor in a dimeric magnesium(I) compound. Journal of Physical Chemistry A 115 (2) , pp. 194-200. 10.1021/jp109547w

Brazier, John Benedict, Jones, Kevin Mark, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2011. On the roles of protic solvents in imidazolidinone-catalyzed transformations. Angewandte Chemie. International Edition 50 (7) , pp. 1613-1616. 10.1002/anie.201005892

Carr, Jenny M., Duggan, Peter James, Humphrey, David G., Platts, James Alexis

and Tyndall, Edward M. 2011. Wood protection properties of quaternary ammonium spiroborate esters derived from alkyl tartrates. Australian Journal of Chemistry 64 (4) , pp. 495-502. 10.1071/CH11022

Brazier, John Benedict, Hopkins, Gregory P., Jirari, Meriem, Mutter, Shaun, Pommereuil, Ronan, Samulis, Leopold, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2011. Iminium ion catalysis: direct comparison of imidazolidinone and diarylprolinol ether reactivity. Tetrahedron Letters 52 (21) , pp. 2783-2785. 10.1016/j.tetlet.2011.03.129

Overgaard, Jacob, Jones, Cameron, Dange, Deepak and Platts, James Alexis

2011. Experimental Charge Density Analysis of a Gallium(I) N-Heterocyclic Carbene Analogue. Inorganic Chemistry 50 (17) , pp. 8418-8426. 10.1021/ic2009946

Chakravorty, Stutee, Platts, James Alexis

and Das, Birinchi K. 2011. Novel C-H-C contacts involving 3,5-dimethylpyrazole ligands in a tetracoordinate Co(ii) complex. Dalton Transactions 40 (43) , pp. 11605-11612. 10.1039/c1dt10948k

Aldulaijan, Sarah and Platts, James Alexis

2010. Theoretical prediction of a peptide binding to major histocompatibility complex II. Journal of Molecular Graphics and Modelling 29 (2) , pp. 240-245. 10.1016/j.jmgm.2010.05.010

Mutter, Shaun Thomas and Platts, James Alexis

2010. Modulation of stacking interactions by transition-metal coordination: ab initio benchmark studies. Chemistry - A European Journal 16 (18) , pp. 5391-5399. 10.1002/chem.200902813

Platts, James Alexis

and Hill, John Grant 2010. Non-covalent interactions using local correlation methods: energy partitioning, geometry optimisation and harmonic frequency calculations. Molecular Physics 108 (11) , pp. 1497-1504. 10.1080/00268971003757977

Carr, Jenny M., Duggan, Peter James, Humphrey, David G., Platts, James Alexis

and Tyndall, Edward M. 2010. Wood protection properties of quaternary ammonium arylspiroborate esters derived from naphthalene 2,3-Diol, 2,2 '-Biphenol and 3-Hydroxy-2-naphthoic acid. Australian Journal of Chemistry 63 (10) , pp. 1423-1429. 10.1071/CH10132

Brazier, John Benedict, Evans, Gareth James S., Gibbs, Timothy John K., Coles, Simon J., Hursthouse, M. B., Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2009. Solution phase, solid state, and theoretical investigations on the MacMillan imidazolidinone. Organic Letters 11 (1) , pp. 133-136. 10.1021/ol802512y

Fallis, Ian Andrew

, Griffiths, Peter Charles, Cosgrove, Terence, Dreiss, Cecile A., Govan, Norman, Heenan, Richard K., Holden, Ian, Jenkins, Robert Leyshon, Mitchell, Stephen J., Notman, Stuart, Platts, James Alexis

, Riches, James and Tatchell, Thomas 2009. Locus-specific microemulsion catalysts for sulfur mustard (HD) chemical warfare agent decontamination. Journal of the American Chemical Society 131 (28) , pp. 9746-9755. 10.1021/ja901872y

Gkionis, Konstantinos, Hill, John Grant., Oldfield, Steven Peter and Platts, James Alexis.

2009. Performance of Becke's half-and-half functional for non-covalent interactions: energetics, geometries and electron densities. Journal of Molecular Modeling 15 (9) , pp. 1051-1060. 10.1007/s00894-009-0459-4

Gkionis, Konstantinos and Platts, James Alexis

2009. QM/MM investigation into binding of square-planar platinum complexes to DNA fragments. Journal of Biological Inorganic Chemistry 14 (8) , pp. 1165-1174. 10.1007/s00775-009-0560-2

Hill, John Grant and Platts, James Alexis

2009. Local electron correlation descriptions of the intermolecular stacking interactions between aromatic intercalators and nucleic acids. Chemical Physics Letters 479 (4-6) , pp. 279-283. 10.1016/j.cplett.2009.08.021

Hill, John Grant and Platts, James Alexis

2009. Auxiliary basis sets for density-fitted MP2 calculations: correlation-consistent basis sets for the 4d elements. Journal of Chemical Theory and Computation 5 (3) , pp. 500-505. 10.1021/ct8005584

Platts, James Alexis

and Gkionis, Konstantinos 2009. NMR shielding as a probe of intermolecular interactions: ab initio and density functional theory studies. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 11 (44) , pp. 10331-10339. 10.1039/B822560E

Brazier, John Benedict, Cavill, Julie Leanne, Elliott, Richard L., Evans, Gareth James S., Gibbs, Timothy John K., Jones, Ian Leigh, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2009. The α-effect in cyclic secondary amines: new scaffolds for iminium ion accelerated transformations. Tetrahedron 65 (48) , pp. 9961-9966. 10.1016/j.tet.2009.10.009

Overgaard, Jacob, Platts, James Alexis

and Iversen, Bo B. 2009. Experimental and theoretical charge-density study of a tetranuclear cobalt carbonyl complex. Acta Crystallographica Section B Structural Science 65 (6) , pp. 715-723. 10.1107/S0108768109045091

Laimou, D., Mantzourani, Efthymia D.

, Platts, James Alexis

, Matsoukas, M. T., Troganis, A. and Tselios, T. 2008. Molecular modeling of GnRH analogues in DMSO solution using nuclear magnetic resonance (NMR) and molecular dynamics (MD) [Abstract]. Journal of Peptide Science 14 (S1) , pp. 128-129. 10.1002/psc.1090

Evans, Gareth James, Gibbs, Timothy John, Jenkins, Robert Leyshon, Coles, Simon J., Hursthouse, Michale B., Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2008. Kinetics of iminium ion catalysis. Angewandte Chemie. International Edition 47 (15) , pp. 2820-2823. 10.1002/anie.200705539

Gkionis, Konstantinos, Platts, James Alexis

and Hill, John Grant 2008. Insights into DNA binding of ruthenium arene complexes: Role of hydrogen bonding and π stacking. Inorganic Chemistry 47 (9) , pp. 3893-3902. 10.1021/ic702459h

Hill, John Grant and Platts, James Alexis

2008. Calculating interaction energies in transition metal complexes with local electron correlation methods. Journal of Chemical Physics 129 (13) 10.1063/1.2982790

Hill, John Grant and Platts, James Alexis

2008. Calculating stacking interactions in nucleic acid base-pair steps using spin-component scaling and local second order Moller-Plesset perturbation theory. Physical Chemistry Chemical Physics 10 (19) , pp. 2785-2791. 10.1039/b718691f

Hill, John Grant and Platts, James Alexis

2008. Auxiliary basis sets for density fitting-MP2 calculations: Nonrelativistic triple-zeta all-electron correlation consistent basis sets for the 3d elements Sc-Zn. The Journal of Chemical Physics 128 (4) , 044104. 10.1063/1.2826348

Overgaard, Jacob, Clausen, Henrik F., Platts, James Alexis

and Iversen, Bo B. 2008. Experimental and theoretical charge density study of chemical bonding in a Co dimer complex. Journal of the American Chemical Society 130 (12) , pp. 3834-3843. 10.1021/ja076152c

Tetko, Igor V., Jaroszewicz, Iwona, Platts, James Alexis

and Kuduk-Jaworska, Janina 2008. Calculation of lipophilicity for Pt(II) complexes: Experimental comparison of several methods. Journal of Inorganic Biochemistry 102 (7) , pp. 1424-1437. 10.1016/j.jinorgbio.2007.12.029

Overgaard, Jacob, Waller, Mark P., Piltz, Ross, Platts, James Alexis

, Emseis, Paul, Leverett, Peter, Williams, Peter A and Hibbs, David E. 2007. Experimental and theoretical charge density distribution in two ternary cobalt(III) complexes of aromatic amino acids. Journal of Physical Chemistry A 111 (40) , pp. 10123-10133. 10.1021/jp068621n

Platts, James Alexis

, Evans, Gareth James S., Coogan, Michael Peter and Overgaard, Jacob 2007. Electronic Structure of the Alkyne-Bridged Dicobalt Hexacarbonyl Complex Co2 μ-C2H2 (CO)6: Evidence for Singlet Diradical Character and Implications for Metal−Metal Bonding. Inorganic Chemistry 46 (16) , pp. 6291-6298. 10.1021/ic070278t

Hill, John Grant and Platts, James Alexis

2007. Spin-component scaling methods for weak and stacking interactions. Journal of Chemical Theory and Computation 3 (1) , pp. 80-85. 10.1021/ct6002737

Mantzourani, Efthymia D.

, Platts, James Alexis

, Brancale, Andrea

, Mavromoustakos, Thomas M. and Tselios, Theodore V. 2007. Molecular dynamics at the receptor level of immunodominant myelin basic protein epitope 87-99 implicated in multiple sclerosis and its antagonists altered peptide ligands: Triggering of immune response. Journal of Molecular Graphics and Modelling 26 (2) , pp. 471-481. 10.1016/j.jmgm.2007.02.004

Thomas, Christopher P.

, Platts, James Alexis

, Tatchell, Thomas and Heard, Christopher Martin

2007. Probing the skin permeation of fish oil/EPA and ketoprofen 1. NMR spectroscopy and molecular modelling. International Journal of Pharmaceutics 338 (1-2) , pp. 207-212. 10.1016/j.ijpharm.2007.02.006

Oldfield, Steven Peter, Hall, Matthew D. and Platts, James Alexis

2007. Calculation of lipophilicity of a large, diverse dataset of anticancer platinum complexes and the relation to cellular uptake. Journal of Medicinal Chemistry 50 (21) , pp. 5227-5237. 10.1021/jm0708275

Mantzourani, Efthymia D.

, Tselios, T. V., Grdadolnik, S. Golič, Brancale, Andrea

, Platts, James Alexis

, Matsoukas, J. M. and Mavromoustakos, T. M. 2006. A putative bioactive conformation for the altered peptide ligand of myelin basic protein and inhibitor of experimental autoimmune encephalomyelitis [Arg91, Ala96] MBP87–99. Journal of Molecular Graphics and Modelling 25 (1) , pp. 17-29. 10.1016/j.jmgm.2005.09.010

Hill, John Grant, Platts, James Alexis

and Werner, Hans-Joachim 2006. Calculation of intermolecular interactions in the benzene dimer using coupled-cluster and local electron correlation methods. Physical Chemistry Chemical Physics 8 (35) , pp. 4072-4078. 10.1039/b608623c

Robertazzi, Arturo and Platts, James Alexis

2006. A QM/MM Study of Cisplatin-DNA Oligonucleotides: From Simple Models to Realistic Systems. Chemistry - A European Journal 12 (22) , pp. 5747-5756. 10.1002/chem.200501566

Jones, Cameron, Junk, Peter C., Platts, James Alexis

and Stasch, Andreas

2006. Four-Membered Group 13 Metal(I) N-Heterocyclic Carbene Analogues: Synthesis, Characterization, and Theoretical Studies. Journal of the American Chemical Society 128 (7) , pp. 2206-2207. 10.1021/ja057967t

Cavill, Julie L., Elliott, Richard L., Evans, Gareth James S., Jones, Ian L., Platts, James Alexis

, Ruda, Antonio M. and Tomkinson, Nicholas Charles Oliver 2006. The α-effect in iminium ion catalysis. Tetrahedron 62 (2-3) , pp. 410-421. 10.1016/j.tet.2005.08.110

Evans, Gareth James S., White, Katherine, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2006. Computational study of iminium ion formation: effects of amine structure. Organic & Biomolecular Chemistry 4 (13) , pp. 2616-2627. 10.1039/B602645A

Mantzourani, Efthymia D.

, Tselios, Theodore V., Grdadolnik, Simona Golic, Platts, James Alexis

, Brancale, Andrea

, Deraos, George N., Matsoukas, John M. and Mavromoustakos, Thomas M. 2006. Comparison of Proposed Putative Active Conformations of Myelin Basic Protein Epitope 87−99 Linear Altered Peptide Ligands by Spectroscopic and Modelling Studies: The Role of Positions 91 and 96 in T-Cell Receptor Activation. Journal of Medicinal Chemistry 49 (23) , pp. 6683-6691. 10.1021/jm060040z

Pan, Zhigang, Xu, Mingcan, Cheung, Eugene Y., Platts, James Alexis

, Harris, Kenneth David Maclean

, Constable, Edwin C. and Housecroft, Catherine E. 2006. Solid-state structural properties of 2,4,6-trimethoxybenzene derivatives, determined directly from powder X-ray diffraction data in conjunction with other techniques. Journal of Solid State Chemistry 179 (10) , pp. 3214-3223. 10.1016/j.jssc.2006.06.009

Robertazzi, Arturo and Platts, James Alexis

2005. Binding of transition metal complexes to guanine and guanine-cytosine: hydrogen bonding and covalent effects. Journal of Biological Inorganic Chemistry 10 (8) , pp. 854-866. 10.1007/s00775-005-0034-0

Jones, Cameron James, Junk, Peter C., Platts, James Alexis

, Rathmann, Daniel and Stasch, Andreas

2005. Synthesis, characterisation and theoretical studies of amidinato-indium(I) and thallium(I) complexes: isomers of neutral group 13 metal(I) carbene analogues. Dalton Transactions (15) , pp. 2497-2499. 10.1039/B507242E

Carr, Jenny M., Duggan, Peter James, Humphrey, David G., Platts, James Alexis

and Tyndall, Edward M. 2005. Quaternary ammonium arylspiroborate esters as organo-soluble, environmentally benign wood protectants. Australian Journal of Chemistry 58 (12) , pp. 901-911. 10.1071/CH05226

Mantzourani, Efthymia D.

, Mavromoustakos, T. M., Platts, James Alexis

, Matsoukas, J. M. and Tselios, T. V. 2005. Structural requirements for binding of Myelin Basic Protein (MBP) Peptides to MHC II: effects on immune regulation. Current Medicinal Chemistry 12 (13) , pp. 1521-1535. 10.2174/0929867054039053

Lamarche, Olivier J., Platts, James Alexis

and Hersey, Anne 2004. Theoretical prediction of partition coefficients via molecular electrostatic and electronic properties. Journal of Chemical Information and Computer Sciences 44 (3) , pp. 848-855. 10.1021/ci034276c

Saunders, Robert Alun and Platts, James Alexis

2004. Scaled polar surface area descriptors: development and application to three sets of partition coefficients. New Journal of Chemistry 28 (1) , pp. 166-172. 10.1039/B307023A

Baker, Robert James, Jones, Cameron and Platts, James Alexis

2003. Analogies between the Reactivities of an Anionic Gallium(I) Heterocycle and N-Heterocyclic Carbenes Toward Metallocenes. Journal of the American Chemical Society 125 (35) , pp. 10534-10535. 10.1021/ja036933n

Harris, Lisa Dawn, Platts, James Alexis

and Tomkinson, Nicholas Charles Oliver 2003. Enhanced ππ interactions in α,β-unsaturated carbonyls. Organic and Biomolecular Chemistry 1 (3) , pp. 457-459. 10.1039/B210497K

Lamarche, Olivier J. and Platts, James Alexis

2003. Atoms in molecules investigation of the pK(HB) basicity scale: electrostatic and covalent effects in hydrogen bonding. Chemical Physics Letters 367 (1-2) , pp. 123-128. 10.1016/S0009-2614(02)01581-6

Baker, Robert James, Edwards, Peter

, Farley, Robert D., Murphy, Damien Martin

, Platts, James Alexis

and Voss, Karen E. 2003. Low valent carbonylvanadium complexes of the triphosphorus macrocycle 12[ane]P3Et3. Dalton Transactions (5) , pp. 944-948. 10.1039/B211105P

Lamarche, Olivier J. and Platts, James Alexis

2003. Complementary nature of hydrogen bond basicity and acidity scales from electrostatic and atoms in molecules properties. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 5 (4) , pp. 677-684. 10.1039/B210210B

Huque, Farah T. T. and Platts, James Alexis

2003. The effect of intramolecular interactions on hydrogen bond acidity. Organic and Biomolecular Chemistry 1 (8) , pp. 1419-1424. 10.1039/B300598D

Baker, Robert James, Jones, Cameron James and Platts, James Alexis

2003. Synthesis, structural and theoretical studies of an iron-gallium(I) heterocycle complex: analogies with N-heterocyclic carbene chemistry. Dalton Transactions (19) , pp. 3673-3674. 10.1039/B308616J

Lamarche, Olivier J. and Platts, James Alexis

2002. Theoretical prediction of the hydrogen-bond basicity pKHB. Chemistry-a European Journal 8 (2) , pp. 457-466. 10.1002/1521-3765(20020118)8:2<457::AID-CHEM457>3.0.CO;2-5

Howard, Sian T., Platts, James Alexis

and Coogan, Michael Peter 2002. Relationships between basicity, structure, chemical shift and the charge distribution in resonance-stabilized iminoamines. Journal of the Chemical Society - Perkins Transactions 2 (5) , pp. 899-905. 10.1039/B200899H

Battle, Andrew R., Platts, James Alexis

, Hambley, Trevor W. and Deacon, Glen B. 2002. Synthesis, spectroscopy, and theoretical studies of platinum(II) phosphate complexes. Journal of the Chemical Society, Dalton Transactions (9) , pp. 1898-1902. 10.1039/B111460N

Saunders, Robert Alun and Platts, James Alexis

2001. Linear free energy relationship analysis of the solubility of solids in supercritical CO2. Journal of Physical Organic Chemistry 14 (9) , pp. 612-617. 10.1002/poc.408

Platts, James Alexis

, Abraham, M. H., Zhao, Yuan H., Hersey, Anne, Ijaz, Luke and Butina, Darko 2001. Correlation and prediction of a large blood-brain distribution data set - an LFER study. European Journal of Medicinal Chemistry 36 (9) , pp. 719-730. 10.1016/S0223-5234(01)01269-7

Platts, James Alexis

2001. Theoretical electron densities in transition metal dihydrides. Journal of Molecular Structure - THEOCHEM 545 (1) , pp. 111-118. 10.1016/S0166-1280(01)00392-X

Zhao, Yuan H., Le, Joelle, Abraham, Michael H., Hersey, Anne, Eddershaw, Peter J., Luscombe, Chris N., Boutina, Darko, Beck, Gordon, Sherborne, Brad, Cooper, Ian and Platts, James Alexis

2001. Evaluation of human intestinal absorption data and subsequent derivation of a quantitative structure-activity relationship (QSAR) with the Abraham descriptors. Journal of Pharmaceutical Sciences 90 (6) , pp. 749-784. 10.1002/jps.1031

Abraham, Michael H. and Platts, James Alexis

2001. Hydrogen bond structural group constants. Journal of Organic Chemistry 66 (10) , pp. 3484-3491. 10.1021/jo001765s

Lamarche, Olivier J., Platts, James Alexis

and Hersey, Anne 2001. Theoretical prediction of the polarity/polarizability parameter pi(H)(2). Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 3 (14) , pp. 2747-2753. 10.1039/B102708P

Abraham, Michael H., Du, Chau My and Platts, James Alexis

2000. Lipophilicity of the nitrophenols. Journal of Organic Chemistry 65 (21) , pp. 7114-7118. 10.1021/jo000840w

Platts, James Alexis

and Coogan, Michael Peter 2000. Rotational barriers in tetraformylhydrazine. Journal of the Chemical Society - Perkins Transactions 2 5 , pp. 1075-1079. 10.1039/A910230M

Platts, James Alexis

2000. Theoretical prediction of hydrogen bond donor capacity. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 2 (5) , pp. 973-980. 10.1039/A908853I

Platts, James Alexis

2000. Theoretical prediction of hydrogen bond basicity. Physical Chemistry Chemical Physics -Cambridge- Royal Society of Chemistry 2 (14) , pp. 3115-3120. 10.1039/B003026K

This list was generated on Thu Mar 13 06:17:11 2025 GMT.