COLLEGE OF NATURAL SCIENCES

The group's research interests focus on solving problems in organic and bio-organic chemistry using computational methods. Predictions and designs of new reactions, reagents, and catalysts are tested through close collaboration with experiment.

Guided by mechanistic investigation we develop tools to design more selective catalysts for asymmetric synthesis and renewable energy applications. Group members explore these areas using techniques in quantum chemistry, statistical modeling and data-mining alongside laboratory work.

Recent Publications

• Heterobiaryl synthesis by contractive C–C coupling via P(V) intermediates Hilton, M. C.; Zhang, X.; Boyle, B. T.; Alegre-Requena, J. V.; Paton, R. S.; McNally, A. Science 2018, in press
• Stereospecific 1,3-H Transfer of Indenols Proceeds via Persistent Ion-Pairs Anchored By NH···Pi Interactions Ascough, D. M. H.; Duarte, F.; Paton, R. S. J. Am. Chem. Soc. 2018, DOI:10.1021/jacs.8b09874
• Post-Translational Site-selective Protein α-Deuteration − Protein Backbone Modification and Use as a Tool for Protein Mechanism Galan, S. R. G.; Wickens, J. R.; Dadova, J.; Ng, W.-L.; Zhang, X.; Simion, R. A.; Quinlan, R.; Pires, E.; Paton, R. S.; Caddick, S.; Chudasama, V.; Davis, B. G. Nature Chem. Biol. 2018, 14, 955-963
• Asymmetric nucleophilic fluorination under hydrogen bonding phase-transfer catalysis Pupo, G.; Ibba, F.; Ascough, D. M. H.; Vicini, A. C.; Ricci, P.; Christensen, K.; Morphy, J. R.; Brown, J. M.; Paton, R. S.; Gouverneur, V. Science 2018, 360, 638–642
• The True Catalyst revealed: The Intervention of Chiral Ca and Mg Phosphates in Brønsted Acid Promoted Asymmetric Mannich Reactions Simón, L.; Paton, R. S. J. Am. Chem. Soc. 2018, 140, 5412–5420