Molecular Science

Molecular Science

What is Chemistry? Nearly everything that is important to us gains its properties from the fact that it is made of molecules. Chemistry is the central Molecular Science. It is about everything that has to do with molecules: making them, using their properties to engineer useful things, studying fundamental physics with molecules, and using their physical properties to achieve new effects. Molecular science is the confluence of chemistry, physics, engineering, molecular biology, geology, medicine, and materials science. Thus, staff in the School of Chemistry work on projects strongly tied to other disciplines in exciting areas such as plasmonics, molecular magnets, battery technology, 3D printing, malaria, and many others. The School of Chemistry is therefore perfectly placed to form coalitions with the other schools and colleges to go after the big questions in science.

Research groupings

Recent publications

An evaluation of Minor Groove Binders as anti-fungal and anti-mycobacterial therapeutics

Scott, F. J. et al. (2017) An evaluation of Minor Groove Binders as anti-fungal and anti-mycobacterial therapeutics. European Journal of Medicinal Chemistry , 136, pp. 561-572. (doi:10.1016/j.ejmech.2017.05.039 )

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Urotensin-II peptidomimetic incorporating a non-reducible 1,5-triazole disulfide bond reveals a pseudo-irreversible covalent binding mechanism to the urotensin G-protein coupled receptor

Pacifico, S., Kerckhoffs, A., Fallow, A. J., Foreman, R. E., Guerrini, R., McDonald, J., Lambert, D. G. and Jamieson, A. G. (2017) Urotensin-II peptidomimetic incorporating a non-reducible 1,5-triazole disulfide bond reveals a pseudo-irreversible covalent binding mechanism to the urotensin G-protein coupled receptor. Organic and Biomolecular Chemistry , (doi:10.1039/C7OB00959C ) (PMID:28524918) (Early Online Publication)

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Exploring the molecular growth of two gigantic half-closed polyoxometalate clusters

Cronin, L. , Xuan, W. , Pow, R. and Long, D.-L. (2017) Exploring the molecular growth of two gigantic half-closed polyoxometalate clusters. Angewandte Chemie International Edition , (doi:10.1002/ange.201702957 ) (PMID:28508585) (Early Online Publication)

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Coplanar D-π-A organic sensitizers featuring a thienylethynyl spacer for efficient dye-sensitized solar cells

Park, K.-W., Ahn, S., Baek, M. H., Lim, D.-S., Wiles, A. A. , Kim, M. G. and Hong, J. (2017) Coplanar D-π-A organic sensitizers featuring a thienylethynyl spacer for efficient dye-sensitized solar cells. Materials Express , 7(1), pp. 43-50. (doi:10.1166/mex.2017.1348 )

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Novel bacterial topoisomerase inhibitors with potent broad-spectrum activity against drug-resistant bacteria

Charrier, C. et al. (2017) Novel bacterial topoisomerase inhibitors with potent broad-spectrum activity against drug-resistant bacteria. Antimicrobial Agents and Chemotherapy , 61(5), e02100-16. (doi:10.1128/AAC.02100-16 ) (PMID:28223393)

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The New Zealand endemic Plagiochila caducifolia is a disjunct population of Plagiochila spinulosa (Plagiochilaceae: Jungermanniopsida)

Renner, M. A.M., Heslewood, M. M., Patzak, S. D.F., Feldberg, K., Schäfer-Verwimp, A., Rycroft, D. S. and Heinrichs, J. (2017) The New Zealand endemic Plagiochila caducifolia is a disjunct population of Plagiochila spinulosa (Plagiochilaceae: Jungermanniopsida). New Zealand Journal of Botany , (doi:10.1080/0028825X.2017.1318756 ) (Early Online Publication)

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Triggering redox activity in a thiophene compound: radical stabilization and coordination chemistry

Curcio, M., Pankhurst, J. R., Sproules, S. , Mignard, D. and Love, J. B. (2017) Triggering redox activity in a thiophene compound: radical stabilization and coordination chemistry. Angewandte Chemie (International Edition) , (doi:10.1002/anie.201703576 ) (PMID:28471076) (Early Online Publication)

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The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping

Laassiri, S. , Zeinalipour-Yazdi, C. D., Catlow, C. R. A. and Hargreaves, J. S.J. (2017) The potential of manganese nitride based materials as nitrogen transfer reagents for nitrogen chemical looping. Applied Catalysis B: Environmental , (doi:10.1016/j.apcatb.2017.04.073 ) (Early Online Publication)

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Dielectric relaxation of the ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate: microwave and far-IR properties

Dhumal, N. R., Kiefer, J., Turton, D. , Wynne, K. and Kim, H. J. (2017) Dielectric relaxation of the ionic liquid 1-ethyl-3-methylimidazolium ethyl sulfate: microwave and far-IR properties. Journal of Physical Chemistry B , 121(18), pp. 4845-4852. (doi:10.1021/acs.jpcb.7b00160 ) (PMID:28440638)

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Synthesis and characterisation of push-pull flavin dyes with efficient second harmonic generation (SHG) properties

Mohammed, N., Wiles, A. A. , Belsley, M., Fernandes, S. S.M., Cariello, M. , Rotello, V. M., Raposo, M. M. M. and Cooke, G. (2017) Synthesis and characterisation of push-pull flavin dyes with efficient second harmonic generation (SHG) properties. RSC Advances , 7(39), pp. 24462-24469. (doi:10.1039/C7RA03400H )

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A coupled optical-thermal-electrical model to predict the performance of hybrid PV/T-CCPC roof-top systems

Paul, M.C. et al. (2017) A coupled optical-thermal-electrical model to predict the performance of hybrid PV/T-CCPC roof-top systems. Renewable Energy , 112, pp. 166-186. (doi:10.1016/j.renene.2017.05.012 )

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Miller–Urey spark-discharge experiments in the deuterium world

Cooper, G. J.T. , Surman, A. J. , McIver, J. , Colón-Santos, S. M. , Gromski, P. S. , Buchwald, S., Suárez Marina, I. and Cronin, L. (2017) Miller–Urey spark-discharge experiments in the deuterium world. Angewandte Chemie (International Edition) , (doi:10.1002/anie.201610837 ) (PMID:28474773) (Early Online Publication)

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Aminated poly(vinyl chloride) solid state adsorbents with hydrophobic function for post-combustion CO2 capture

Sneddon, G., McGlynn, J. C. , Neumann, M. S., Aydin, H. M., Yiu, H. H.P. and Ganin, A. Y. (2017) Aminated poly(vinyl chloride) solid state adsorbents with hydrophobic function for post-combustion CO2 capture. Journal of Materials Chemistry A , (doi:10.1039/C7TA00389G ) (Early Online Publication)

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Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids

Romero, F. D. et al. (2017) Redox-controlled potassium intercalation into two polyaromatic hydrocarbon solids. Nature Chemistry , (doi:10.1038/nchem.2765 ) (Early Online Publication)

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POMzites: a family of zeolitic polyoxometalate frameworks from a minimal building block library

Boyd, T., Mitchell, S. G., Gabb, D., Long, D.-L. , Song, Y.-F. and Cronin, L. (2017) POMzites: a family of zeolitic polyoxometalate frameworks from a minimal building block library. Journal of the American Chemical Society , 139(16), pp. 5930-5938. (doi:10.1021/jacs.7b01807 ) (PMID:28368582) (PMCID:PMC5423706)

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Coding the assembly of polyoxotungstates with a programmable reaction system

Ruiz de la Oliva, A., Sans, V. , Miras, H. N. , Long, D. L. and Cronin, L. (2017) Coding the assembly of polyoxotungstates with a programmable reaction system. Inorganic Chemistry , 59(9), pp. 5089-5095. (doi:10.1021/acs.inorgchem.7b00206 ) (PMID:28414229) (PMCID:PMC5423703)

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Olefin cross metathesis and ring closing metathesis in polymer chemistry

Sinclair, F., Alkattan, M., Prunet, J. and Shaver, M. P. (2017) Olefin cross metathesis and ring closing metathesis in polymer chemistry. Polymer Chemistry , (doi:10.1039/C7PY00340D ) (Early Online Publication)

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Swellable functional hypercrosslinked polymer networks for the uptake of chemical warfare agents

Wilson, C., Main, M. J., Cooper, N. J., Briggs, M. E., Cooper, A. I. and Adams, D. J. (2017) Swellable functional hypercrosslinked polymer networks for the uptake of chemical warfare agents. Polymer Chemistry , 8(12), pp. 1914-1922. (doi:10.1039/c7py00040e )

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Spectroscopic studies of the Chan–Lam amination: a mechanism-inspired solution to boronic ester reactivity

Vantourout, J. C., Miras, H. N. , Isidro-Llobet, A., Sproules, S. and Watson, A. J.B. (2017) Spectroscopic studies of the Chan–Lam amination: a mechanism-inspired solution to boronic ester reactivity. Journal of the American Chemical Society , 139(13), pp. 4769-4779. (doi:10.1021/jacs.6b12800 ) (PMID:28266843)

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DFT-D3 study of H2 and N2 chemisorption over cobalt promoted Ta3N5 (100), (010) and (001) surfaces

Zeinalipour-Yazdi, C. D., Hargreaves, J. S.J. , Laassiri, S. and Catlow, C. R. A. (2017) DFT-D3 study of H2 and N2 chemisorption over cobalt promoted Ta3N5 (100), (010) and (001) surfaces. Physical Chemistry Chemical Physics , 19(19), pp. 11968-11974. (doi:10.1039/C7CP00806F ) (PMID:28440821)

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