List of Publications

Enantioselective conjugate addition catalyzed by a copper-phosphoramidite complex: Computational and experimental exploration of asymmetric induction
Ardkhean, R.; Roth, P. M. C.; Maksymowicz, R. M.; Curran, A.; Peng, Q.; Paton*, R. S.; Fletcher, S. P. ACS Catal. 2017, 7, 6729-6737.

AMP binding stabilizes the KTN domain of the Shewanella denitrificans Kef potassium efflux system
Pliotas, C.; Grayer, S. C.; Ekkerman, S.; Chan, A. K. N.; Healy, J.; Marius, P.; Bartlett, W.; Khan, A.; Cortopassi, W. A.; Chandler, S. A.; Rasmussen, T.; Benesch, J. L. P.; Paton, R. S.; Claridge, T. D. W.; Miller, S.; Booth, I. R.; Naismith, J. H.; Conway, S. J. Biochemistry 2017, 56, 4219-4234.

Visible light photocatalysis of 6-pi heterocyclization
Münster, N.; Parker, N. A.; van Dijk, L.; Paton*, R. S.; Smith, M. D. Angew. Chem. Int. Ed. 2017, 56, 9468-9472.

Structural and Stereoelectronic Insights into Oxygenase Catalyzed Formation of Ethylene from 2-Oxoglutarate
Zhang, Z.; Smart, T. J.; Choi, H.; Hardy, F.; Lohans, C. T.; Abboud, M. I.; Richardson, M. S. W.; Paton, R. S.; McDonough, M. A.; Schofield, C. J. Proc. Nat. Acad. Sci. 2017, 114, 4667-4672.

Divergent Photocyclization/1,4-Sigmatropic Rearrangements for the Synthesis of Sesquiterpenoid Derivatives
Gorobets, E.; Wong, N. E.; Paton, R. S.; Derksen, D. J. Org. Lett. 2017, 19, 484–487.

Correlating Reactivity and Selectivity to Cyclopentadienyl Ligand Properties in Rh(III)-Catalyzed C−H Activation Reactions — An Experimental and Computational Study
Piou, T.; Romanov-Michailidis, F.; Romanova-Michaelides, M.; Jackson, K. E.; Semakul, N.; Taggart, T. D.; Newell, B. S.; Rithner, C. D.; Paton*, R. S.; Rovis, T. J. Am. Chem. Soc. 2017, 39, 1296–1310.

Cation–π interactions in CREBBP bromodomain inhibition: an electrostatic model for small-molecule binding affinity and selectivity
Cortopassi, W. A.; Kumar, K.; Paton*, R. S. Org. Biomol. Chem. 2016, 14, 10926–10938.

Mechanisms of histone-modifying and reading enzymes: the role of the protein environment from a computational perspective
Cortopassi, W. A.; Kumar, K.; Duarte, F.; Pimentel, A. S.; Paton*, R. S. J. Mol. Graph. Model. 2016, 67, 69-84.

Furan production from Glycoaldehyde over HZSM-5
Kim, S.; Evans, T. J.; Mukarakate, C.; Bu, L; Beckham, G. T.; Nimlos, M. R.; Paton, R. S.; Robichaud, D. J. ACS Sustainable Chem. Eng. 2016, 4, 2615-2623.

Unraveling Innate Substrate Control in Site-Selective Palladium-Catalyzed C–H Heterocycle Functionalization
Choi, H.; Min, M.; Peng, Q.; Kang, D.; Paton*, R.S.; Hong, S. Chem. Sci. 2016, 7, 3900-3909.

Dioxygen binding in the active site of histone demethylase JMJD2A and the role of protein environment
Cortopassi, W. E.; Simion, R.; Hornsby, C. E.; Costa Franca, T. C.; Paton*, R. S. Chem. Eur. J. 2015, 21, 18983-18992.

DOI | Judged by reviewers as a Hot Paper | Selected for Journal Front Cover | Author Profile

Substrate-Controlled Asymmetric Total Syntheses of Microcladallenes A, B, and C Based on the Proposed Structures
Sohn, T.-I.; Kim, D.; Paton, R. S. Chem. Eur. J. 2015, 21 15988-15997.

DOI | Rated as Hot Paper | Selected for Inside Cover

Coordination Diversity in Hydrogen-Bonded Homoleptic Fluoride–Alcohol Complexes Modulates Reactivity
Engle, K. M.; Pfeifer, L.; Pidgeon, G. W.; Giuffredi, G. T.; Thompson, A. L.; Paton, R. S.; Brown, J. M.; Gouverneur, V. Chem. Sci. 2015, 6, 5293-5302.

DOI | HTML | PDF | SI

Enantioselective Desymmetrization of Prochiral Cyclohexanones via Organocatalytic Intramolecular Michael Additions to α,β-Unsaturated Esters
Gammack-Yamaguta, A. D.; Datta, S.; Jackson, K. E.; Stegbauer, L.; Paton*, R. S.; Dixon, D. J. Angew. Chem. Int. Ed. 2015, 127, 4981–4985.

DOI | | Synfacts Highlight

Thermal and Photochemical Mechanisms for Cyclobutane Formation in Bielschowskysin Biosynthesis
Tang, B.; Simion, R.; Paton*, R. S. Synlett (Young Investigators Special Issue) 2015, 26, 501-507.

DOI | PDF | SI

Catalytic Enantioselective Synthesis of Indanes via Cation-Directed 5-Endo-Trig Cyclization
Johnston, C. P.; Kothari, A.; Sergeieva, T.; Okovytyy, S. I.; Jackson, K. E.; Paton*, R. S.; Smith, M. D. Nature Chem. 2015, 7, 171-178.

DOI | HTML | PDF | SI | FigShare | Synform Feature Article | ChemInform Editor's Choice

Dissecting non-covalent interactions in oxazaborolidinium catalyzed cycloadditions of maleimides
Paton*, R. S. Org. Biomol. Chem. 2014, 12, 1717-1720.

DOI | HTML | PDF | SI ORA

Natural product biosynthesis: It's all downhill from here
Hornsby, C. E.; Paton*, R. S. Nature Chem. 2014, 6, 88–89.

DOI | PDF | ORA

Ligand Bite Angle-dependent Palladium-catalyzed Cyclization of Propargylic Carbonates to 2-Alkynyl Azacycles or Cyclic Dienamides
Daniels, D. S. B.; Jones, A. S.; Thompson, A. L.; Paton*, R. S.; Anderson, E. A. Angew. Chem. Int. Ed. 2014, 53, 1915–1920.

DOI | HTML | PDF | SI | ORA

A mechanistic investigation of acid-catalyzed cleavage of aryl-ether linkages: Implications for lignin depolymerization in acidic environments
Sturgeon, M.; Kim, S.; Lawrence, K.; Paton, R. S.; Chmely, S. C.; Nimlos, M. R.; Foust, T. D.; Beckham, G. T. ACS Sustainable Chem. Eng. 2014, 2, 472–485.

DOI | HTML | PDF | SI | ORA

Diels-Alder Reactivities of Strained and Unstrained Cycloalkenes with Normal and Inverse-Electron-Demand Dienes: Activation Barriers and Distortion/Interaction Analysis
Liu, F.; Paton, R. S.; Kim, S.; Liang, Y.; Houk, K. N. J. Am. Chem. Soc. 2013, 135, 15642-15649.

DOI | HTML | PDF | SI | ORA

Structure Reassignment of Laurefurenynes A and B by Computation and Total Synthesis
Shepherd, D. J.; Broadwith, P. A.; Dyson, B. S.; Paton*, R. S.; Burton, J. W. Chem. Eur. J. 2013, 19, 12644-12648.

DOI | HTML | PDF | SI | ORA | FigShare | Open Access

Computational Organic Chemistry
Jackson, K.; Jaffar, S.; Paton*, R. S. Annu. Rep. Prog. Chem. Sect. B 2013, 109, 235-255.

DOI | HTML | PDF | ORA

Enhanced Reactivity in Dioxirane C-H Oxidations via Strain Release: A Computational and Experimental Study
Zhou, L; Paton*, R. S.; Eschenmoser, A.; Newhouse, T. R.; Baran, P. S.; Houk, K. N. J. Org. Chem. 2013, 78, 4037-4048.

DOI | HTML | PDF | SI | ORA

Synthesis of Cyclic α- Aminophosphonates through Copper Catalyzed Enamine Activation
Han, J.; Paton, R. S.; Xu, B.; Hammond, G. B. Synthesis 2013, 45, 463-470.

DOI | ORA

Dinuclear Palladium Complexes – Precursors or Catalysts?
Paton*, R. S.; Brown, J. M. Angew. Chem. Int. Ed. 2012, 51, 10448-10450.

DOI | HTML | PDF | SI | ORA

An Efficient Computational Model to Predict the Synthetic Utility of Heterocyclic Arynes
Goetz, A. E.; Bronner, S. M.; Cisneros, J.; Melamed, J.; Paton*, R. S.; Houk, K. N.; Garg, N. K. Angew. Chem. Int. Ed. 2012, 51, 2758-2762.

DOI | HTML | PDF | SI | ORA

Computational Study of Bond Dissociation Enthalpies for a Large Range of Native and Modified Lignins
Kim, S.; Chmely, S. C.; Nimlos, M. R.; Bomble, Y. J.; Foust, T. D.; Paton, R. S.; Beckham, G. T. J. Phys. Chem. Lett. 2011, 2, 2846-2852.

DOI | HTML | PDF | SI | ORA

Experimental Diels-Alder Reactivities of Cycloalkenones and Cyclic Dienes Explained Through Transition State Distortion Energies
Paton*, R. S.; Kim, S.; Ross, A. G. ; Danishefsky, S. J.; Houk, K. N. Angew. Chem. Int. Ed. 2011, 50, 10366-10368.

DOI | HTML | PDF | SI | ORA


UCLA 2009-2010

Unraveling the Mechanism of Cascade Reactions of Zincke Aldehydes
Paton, R. S.; Steinhardt, S. E.; Vanderwal, C. D.; Houk, K. N. J. Am. Chem. Soc. 2011, 133, 3895-3905.

DOI | HTML | PDF | SI | ORA

The [4+2], not [2+2], Mechanism Occurs in the Gold-Catalyzed Intramolecular Oxygen Transfer Reaction of 2-Alkynyl-1,5-Diketones
Liu, L.-P.; Malhotra, D.; Paton, R. S.; Houk, K. N.; Hammond, G. B. Angew. Chem. Int. Ed. 2010, 49, 9132-9135.

DOI | HTML | PDF | SI | ORA

Indolyne and Aryne Distortions and Nucleophilic Regioselectivities
Cheong, P. H. Y.; Paton, R. S.; Bronner, S. M.; Im, G. Y.; Garg, N. K.; Houk, K. N. J. Am. Chem. Soc. 2010, 132, 1267-1269.

DOI | HTML | PDF | SI | ORA


ICIQ 2009

Gold(I)-Catalyzed Intermolecular Hydroalkoxylation of Allenes: a DFT Study
Paton*, R. S.; Maseras, F. Org. Lett. 2009, 11, 2237-2240.

DOI | HTML | PDF | SI | ORA


Cambridge 2005-2009

Mechanistic Insights into the Catalytic Asymmetric Allylboration of Ketones: Bronsted or Lewis Acid Activation?
Paton, R. S.; Goodman, J. M.; Pellegrinet, S. C. Org. Lett. 2009, 11, 37-40.

DOI | HTML | PDF | SI | ORA

Stereostructure Assignment of Flexible Five-Membered Rings by GIAO 13C NMR Calculations: Prediction of the Stereochemistry of Elatenyne
Smith, S. G.; Paton, R. S.; Burton, J. W.; Goodman, J. M. J. Org. Chem. 2008, 73, 4053-4062.

DOI | HTML | PDF | SI | ORA

Exploration of the Accessible Chemical Space of Acyclic Alkanes
Paton, R. S.; Goodman, J. M. J. Chem. Inf. Model. 2007, 47, 2124-2132.

DOI | HTML | PDF | SI | ORA

Understanding the Origins of Remote Asymmetric Induction in the Boron Aldol Reactions of β-Alkoxy Methyl Ketones
Paton, R. S.; Goodman, J. M. Org. Lett. 2006, 8, 4299-4302.

DOI | HTML | PDF | SI | ORA


Books and Book Chapters

2. Theoretical Studies of Asymmetric Gold Catalysis
Paton, R. S.; Maseras, F. in Science and Supercomputing in Europe 2008, pp. 140-142, edited by Silvia Monfardini, ISBN: 978-88-86037-22-8.

PDF