个人简介

Associate Research Scientist, Center for Green Chemistry and Green Engineering at Yale PhD., Yale University, 2008 B.A. Middlebury College

研究领域

Organometallic catalysis, Green chemistry, Chemical toxicology, Rational design of safer industrial chemicals

Our group aims to address the urgent need to develop more environmentally benign methodologies for the fine chemicals industry. Specifically, we are exploring novel multifunctional catalysts that improve atom/energy economy, allow the use of renewable feedstocks and minimize the toxic waste streams released into the environment. We are particularly interested in a class of catalytic materials that incorporates a homogeneous and heterogeneous catalyst in a single entity. In addition to being easily recoverable, these catalysts could facilitate a variety of otherwise challenging synthetic and energy-related transformations, such as CO2 activation and utilization. Another class of catalysts that we are exploring consists of functionalized magnetic nanoparticles, which can be effective recyclable catalysts for reactions of importance to the fine chemical industries, like alcohol-amine couplings. We utilize green chemistry and industrial ecology metrics to assess the environmental impact of the reactions we develop. Our second focus, the rational design of safer industrial chemicals, aims to address the urgent need to develop methods for minimizing the probability that a new chemical will have adverse biological effect before it is ever synthesized. We rely on methodology from medicinal chemistry, molecular toxicology and biostatistics to explore the differences between chemical properties and spectroscopic characteristics of chemicals that exhibit particular toxicity endpoints from those that do not. The insights we develop can be directly applied to inform the design of safer and efficacious industrial chemicals.

近期论文

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Bain, J.; Cho, P. Voutchkova-Kostal, A. Recyclable hydrotalcite catalysts for alcohol imination via acceptorless dehydrogenation Green Chemistry, 2015, ASAP. Finn, M.; An, N.; Voutchkova-Kostal, A. M.; Immobilization of Imidazolium Ionic liquids to Hydrotalcites Using Silane Linkers: Retardation of Memory Effect, RSC Advances 2015 ASAP. Kostal, J.; Voutchkova-Kostal, A. M.; Anastas, P.; Zimmerman, J. “Identifying and designing chemicals with minimal acute aquatic toxicity”, Proc. Nat. Acad. Sci. Early Edition 2014. Connors, K.; Voutchkova-Kostal, A. M.; Kostal, J.; Anastas, P.; Zimmerman, J.; Brooks, B. “Reducing Aquatic Hazards of Industrial Chemicals: Probabilistic Assessment of Sustainable Molecular Design Guidelines”, Env. Toxicol. and Chemistry, In Press, 2014. An, N.; Van Der Mei, F.; Voutchkova-Kostal, A.M. “Global Model for Octanol-Water Partition Coefficients from Proton Nuclear Magnetic Resonance Spectra,” Mol. Informatics, Early View 2014. Voutchkova-Kostal, A.; An, N.; Van Der Mei, F. Methods of Predicting Chemical Properties from Spectroscopic Data. Patent Application No. 61/836,430, 2013. Kostal, J. Voutchkova-Kostal, A. Weeks, B. Zimmerman, J. B.; Anastas, P.T., “A Free Energy Approach to the Prediction of Olefin and Epoxide Mutagenicity and Carcinogenicity” Chemical Research in Toxicology 2012, 25(12), 2780-2787. Voutchkova-Kostal, A. M.; Kostal, J.; K., C.; Brooks, B. W.; Zimmerman, B.; Anastas, P.,"Rational Molecular Design for Reduced Chronic Aquatic Toxicity Green Chemistry " Green Chemistry 2012 14, 1001-1008. Kostal, J.; Voutchkova, A. M.; Jorgensen, W. L. “Investigation of Solvent Effects on the Rate and Stereoselectivity of the Henry Reaction” Org. Lett. 2012, 14, 260-263. Voutchkova, A. M.; Kostal, J.; Steinfeld, J. B.; Emerson, J. W.; Brooks, B. W.; Anastas, P.; Zimmerman, B., "Towards rational molecular design: derivation of property guidelines for reduced acute aquatic toxicity." Green Chemistry 2011, 13(9): 2373-2379. Voutchkova, A. M., T. G. Osimitz, Anastas, P. "Toward a Comprehensive Molecular Design Framework for Reduced Hazard." Chemical Reviews 2010, 110(10): 5845-5882. Voutchkova, A. M.; Ferris, L. A.; Zimmerman, J. B.; Anastas, P. T., "Toward molecular design for hazard reduction-fundamental relationships between chemical properties and toxicity." Tetrahedron 2010, 66(5): 1031-1039. Voutchkova, A. M.; A. R. Chianese; Crabtree, R. H., (2010). Carbene Ligands and Complexes. Inorganic Syntheses, John Wiley & Sons, Inc.: 78-91. Voutchkova, A. M. and R. H. Crabtree, "Iridium-catalyzed benzylic C-H activation and functionalization of alkyl arenes." Journal of Molecular Catalysis A: Chemical 2009, 312(1-2): 1-6. Voutchkova, A.; Coplin, A.; Leadbeater, N. E.; Crabtree, R. H., "Palladium-catalyzed decarboxylative coupling of aromatic acids with aryl halides or unactivated arenes using microwave heating" Chemical Communications 2008, 6312-6314. Voutchkova, A. M.; Gnanamgari, G.; Jakobsche, C. E.; Butler, C.; Miller, S. J.; Parr, J.; Crabtree, R. H., "Selective partial reduction of quinolines: Hydrosilylation vs. transfer hydrogenation." Journal of Organometallic Chemistry 2008, 693(10): 1815-1821. Voutchkova, A. M.; M. Feliz, M.; Clot, E.; Eisenstein, O.; Crabtree, R. H., "Imidazolium carboxylates as versatile and selective N-heterocyclic carbene transfer agents: Synthesis, mechanism, and applications." Journal of the American Chemical Society 2007, 129(42): 12834-12846. Leung, C. H.; Voutchkova, A. M.; Crabtree, R. H.; Balcells, D.; Eisenstein, O., "Atom economic synthesis of amides via transition metal catalyzed rearrangement of oxaziridines." Green Chemistry 2007, 9(9): 976-979. Voutchkova, A. M.; Appelhans, L. N.; Chianese, A. R.; Crabtree, R. H., "Disubstituted imidazolium-2-carboxylates as efficient precursors to N-heterocyclic carbene complexes of Rh, Ru, Ir, and Pd." Journal of the American Chemical Society 2005, 127(50): 17624-17625.