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

Assessing the accuracy of intracameral phenylephrine preparation in cataract surgery

Guthrie, S., Jensen, T., Hartley, R. C. , Ramaesh, K. and Lockington, D. (2018) Assessing the accuracy of intracameral phenylephrine preparation in cataract surgery. Eye , (doi:10.1038/s41433-018-0143-y ) (PMID:29907787) (Early Online Publication)

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Supramolecular nucleoside-based gel: molecular dynamics simulation and characterization of its nanoarchitecture and self-assembly mechanism

Angelerou, M. G.F., Frederix, P. W.J.M., Wallace, M., Yang, B., Rodger, A., Adams, D. J. , Marlow, M. and Zelzer, M. (2018) Supramolecular nucleoside-based gel: molecular dynamics simulation and characterization of its nanoarchitecture and self-assembly mechanism. Langmuir , 34(23), pp. 6912-6921. (doi:10.1021/acs.langmuir.8b00646 ) (PMID:29757652)

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Investigating the formation of giant {Pd72}Prop and {Pd84}Gly macrocycles using NMR, HPLC and mass spectrometry

Christie, L. , Asche, S. , Mathieson, J. S. , Vila-Nadal, L. and Cronin, L. (2018) Investigating the formation of giant {Pd72}Prop and {Pd84}Gly macrocycles using NMR, HPLC and mass spectrometry. Journal of the American Chemical Society , (doi:10.1021/jacs.8b05059 ) (PMID:30005574) (Early Online Publication)

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Controlling an organic synthesis robot with machine learning to search for new reactivity

Granda, J. M. , Donina, L. , Dragone, V., Long, D.-L. and Cronin, L. (2018) Controlling an organic synthesis robot with machine learning to search for new reactivity. Nature , 559(7714), pp. 377-381. (doi:10.1038/s41586-018-0307-8 )

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Designing algorithms to aid discovery by chemical robots

Henson, A. B. , Gromski, P. S. and Cronin, L. (2018) Designing algorithms to aid discovery by chemical robots. ACS Central Science , (doi:10.1021/acscentsci.8b00176 ) (Early Online Publication)

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Family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions

Das, M., Craig, G. A. , Escudero, D., Murrie, M. , Frontera, A. and Ray, D. (2018) Family of [Cu2], [Cu4] and [Cu5] aggregates: alteration of reaction conditions, ancillary bridges and capping anions. New Journal of Chemistry , (doi:10.1039/C8NJ02131G ) (Early Online Publication)

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High-performance liquid chromatography quantification of enantiomers of a dihydroxylated tetrahydrofuran natural product

Li, K., Fissette, S. D., Buchinger, T. J., Middleton, Z. E., Boyer, A. and Li, W. (2018) High-performance liquid chromatography quantification of enantiomers of a dihydroxylated tetrahydrofuran natural product. Chirality , (doi:10.1002/chir.22978 ) (PMID:29791052) (Early Online Publication)

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Stereoselective synthesis of 2,6-trans-4-oxopiperidines using an acid-mediated 6-endo-trig cyclisation

Bell, J. D. , Harkiss, A. H. , Wellaway, C. R. and Sutherland, A. (2018) Stereoselective synthesis of 2,6-trans-4-oxopiperidines using an acid-mediated 6-endo-trig cyclisation. Organic and Biomolecular Chemistry , (Accepted for Publication)

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The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand

Hickson, J. R. , Horsewill, S. , Bamforth, C., McGuire, J. , Wilson, C. , Sproules, S. and Farnaby, J. H. (2018) The modular synthesis of rare earth-transition metal heterobimetallic complexes utilizing a redox-active ligand. Dalton Transactions , (doi:10.1039/C8DT01262H ) (PMID:29897068) (Early Online Publication)

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Synthetic antibody protein mimics of infliximab by molecular scaffolding on novel CycloTriVeratrilene (CTV) derivatives

Longin, O. , Hezwani, M. , van de Langemheen, H. and Liskamp, R. M.J. (2018) Synthetic antibody protein mimics of infliximab by molecular scaffolding on novel CycloTriVeratrilene (CTV) derivatives. Organic and Biomolecular Chemistry , (doi:10.1039/c8ob01104d ) (PMID:29892733) (Early Online Publication)

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Hot off the press

Hill, R. A. and Sutherland, A. (2018) Hot off the press. Natural Product Reports , 35(6), pp. 496-500. (doi:10.1039/c8np90015a ) (PMID:29878011)

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Triptycene as a supramolecular additive in PTB7:PCBM blends and its influence on photovoltaic properties

Krishnan Jagadamma, L., McCarron, L. J. , Wiles, A. A. , Savikhin, V., Sajjad, M., Yazdani, M., Rotello, V. M., Toney, M. F., Cooke, G. and Samuel, I. D. W. (2018) Triptycene as a supramolecular additive in PTB7:PCBM blends and its influence on photovoltaic properties. ACS Applied Materials and Interfaces , (doi:10.1021/acsami.8b03114 ) (PMID:29932630) (Early Online Publication)

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Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(III) single-ion magnets

Canaj, A. B., Singh, M. K., Wilson, C. , Rajaraman, G. and Murrie, M. (2018) Chemical and in silico tuning of the magnetisation reversal barrier in pentagonal bipyramidal Dy(III) single-ion magnets. Chemical Communications , (Accepted for Publication)

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Effect of excess iron on oxidative dehydrogenation of 1-butene over a series of zinc ferrite catalysts

BLACK, C. , Spence, R. R. , Whiston, K., Sproules, S. and Jackson, S. D. (2018) Effect of excess iron on oxidative dehydrogenation of 1-butene over a series of zinc ferrite catalysts. Progress in Petrochemical Science , 2(2), 000534.

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Controlled tuning of the properties in optoelectronic self-sorted gels

Cross, E. R. , Sproules, S. , Schweins, R., Draper, E. and Adams, D. J. (2018) Controlled tuning of the properties in optoelectronic self-sorted gels. Journal of the American Chemical Society , (doi:10.1021/jacs.8b05359 ) (Early Online Publication)

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Synthesis of 3,3-disubstituted heterocycles by Pd-catalyzed arylallylation of unactivated alkenes

Phillips, D. , Hewitt, J. F.M. and France, D. (2018) Synthesis of 3,3-disubstituted heterocycles by Pd-catalyzed arylallylation of unactivated alkenes. ACS Omega , (Accepted for Publication)

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Chiral plasmodic fields probe structural order of biointerfaces

Kelly, C., TULLIUS, R. , Lapthorn, A. , Gadegaard, N. , Cooke, G. , Barron, L. , Karimullah, A. , Rotello, V. and Kadodwala, M. (2018) Chiral plasmodic fields probe structural order of biointerfaces. Journal of the American Chemical Society , (doi:10.1021/jacs.8b03634 ) (PMID:29909628) (Accepted for Publication)

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Cobalt(II), nickel(II) and zinc(II) coordination chemistry of the N , N ′-disubstituted hydroxylamine-(diamido) ligand, 3,3′-(hydroxyazanediyl)dipropanamide

Papanikolaou, M. G., Hadjithoma, S., Miras, H. N. , Keramidas, A. D. and Kabanos, T. A. (2018) Cobalt(II), nickel(II) and zinc(II) coordination chemistry of the N , N ′-disubstituted hydroxylamine-(diamido) ligand, 3,3′-(hydroxyazanediyl)dipropanamide. Polyhedron , 151, pp. 417-425. (doi:10.1016/j.poly.2018.06.002 )

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Subpicosecond exciton dynamics in polyfluorene films from experiment and microscopic theory

Denis, J.-C. et al. (2015) Subpicosecond exciton dynamics in polyfluorene films from experiment and microscopic theory. Journal of Physical Chemistry C , 119(18), pp. 9734-9744. (doi:10.1021/acs.jpcc.5b00680 )

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Light-emitting electrochemical cells and solution-processed organic light-emitting diodes using small molecule organic thermally activated delayed fluorescence emitters

Wong, M. Y., Hedley, G. J. , Xie, G., Kölln, L. S., Samuel, I. D. W., Pertegás, A., Bolink, H. J. and Zysman-Colman, E. (2015) Light-emitting electrochemical cells and solution-processed organic light-emitting diodes using small molecule organic thermally activated delayed fluorescence emitters. Chemistry of Materials , 27(19), pp. 6535-6542. (doi:10.1021/acs.chemmater.5b03245 )

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