​Computational Chemist

SELECT PRESENTATIONS

PUBLICATIONS

  • Lecture: "Theoretical Insights Into The Mechanism and Selectivity of the Diels–Alder/Lactonization Organocascade Catalyzed by a Chiral Isothiourea" 251st ACS Meeting, San Diego, CA (March 14, 2016)

  • Poster: "Using the Global Reaction Route Mapping Strategy to Explore Methylation Effects on Carbocation Precursors to Terpenes" Pacifichem, Honolulu, HI (December 18, 2015)

  • Poster: "Ab initio Molecular Dynamics Simulations of a Carbonic Anhydrase Biomimetic for Enhanced CO2 Absorption" Summer Student Symposium, Lawrence Livermore National Laboratory, Livermore, CA (August 6, 2015).

  • Lecture: "Computational Mechanistic Investigation of a Copper(I)-Catalyzed 1,3-Halogen Migration" 249th ACS Meeting, Denver, CO (March 23, 2015). 

  • Lecture: "S–lone pair interactions:  A non-covalent, conformation directing interaction found in drugs, natural products, and a catalyst" Chemical Biology Innovation Group (CBIG) meeting, University of California, Davis (May 7, 2014). 

  • Poster: "The Attraction of Lone Pairs to Sulfur Atoms:  Origins and Consequences" National Organic Chemistry Symposium, Seattle, WA (June 23-27, 2013). 

(9) McCulley, C.; Geier, M. J.; Hudson, B. M.; Gagné, M. R.; Tantillo, D. J. Biomimetic Platinum-Promoted Polyene Polycyclizations – Influence of Alkene Substitution and Pre-Cyclization Conformations. 2017, J. Am. Chem. Soc., 2017just accepted.


(8) Abbasov, M.; Hudson, B. M.; Tantillo, D. J.; Romo, D. Enantioselective Diels-Alder-lactamization Organocascades Employing a Furan-Based Diene. Org. Biomol. Chem. 2017, 15, 3179. Invited contribution to themed issue on "Polycylizations in Synthesis and Biosynthesis."


(7) Abbasov, M.; Hudson, B. M.; Tantillo, D. J.; Romo, D. Stereodivergent, Diels–Alder-Initiated Organocascade Employing a,b-Unsaturated Acylammonium Salts:  Scope, Mechanism, and Application. Chem. Sci., 2017, 8, 1511-1524. Highlighted in Synfacts.


(6) Hudson, B. M.; Nguyen, E.; Tantillo, D. J. The Influence of Intramolecular Sulfur–Lone Pair Interactions on Small-Molecule Drug Design and Receptor Binding. Org. Biomol. Chem., 2016, 14, 3975-3980.


(5) Van Hoveln, R. J.; Hudson, B. M.; Wedler, H.; Bates, D. M.; Le Gros, G.; Tantillo, D. J.; Schomaker, J. M. Mechanistic Studies of Copper(I)-Catalyzed 1,3-Halogen Migration. J. Am. Chem. Soc.,2015, 137, 5346-5354.


(4) Ye, L.; Hu, B.; El-Badri, F.; Hudson, B. M.; Phuan, P. -W.; Verkman, A. S.; Tantillo, D. J.; Kurth, M. J. Correctors of defective dF508-CFTR: synthesis and evaluation of thaizole-tethered oxazoles, oxadiazoles, and thiadiazoles. Bioorg. Med. Chem. Lett.,201424, 5840-5844.


(3) Coffman, K. C.; Nguyen, H. H.; Phuan, P. -W.; Hudson, B. M.; Yu, G. J.; Bagdasarian, A. L.; Montgomery, D.; Lodewyk, M. W.; Yang, B.; Yoo, C. L.; Verkman, A. S.; Tantillo, D. J.; Kurth M. J. Constrained Bithiazoles: Small Molecule Correctors of Defective dF508-CFTR Protein Trafficking. J. Med. Chem., 201457, 6729-6738.  


(2) Abbasov, M.; Hudson, B. M.; Tantillo, D. J.; Romo, D. Acylammonium Salts as Dienophiles in Diels-Alder/Lactonization Organocascades.J. Am. Chem. Soc.,2014136, 4492-4495. Highlighted in JACS SpotlightSynfacts, and Advances in Engineering.


(1) Hudson, B. M.; Harrison, J. G.; Tantillo, D. J. Assessing the viability of biosynthetic pathways for calophyline A formation - Are pericyclic reactions involved? Tet. Lett.,201354, 2952-2955.