Publications

Peer-Reviewed

• Amy S. Cannon, Danielle Julie Carrier, Abigail S. Engelberth, Jeannette M. Garcia, Eunice Heath, King Kuok (Mimi) Hii, Francesca M. Kerton, Banothile Makhubela, Audrey Moores, Liane M. Rossi, Juliana L. Vidal, Adelina Voutchkova-Kostal, and Karen Wilson, Women in Green Chemistry and Engineering: Agents of Change Toward the Achievement of a Sustainable Future, ACS Sustainable Chemistry & Engineering 2022 10 (9), 2859-2862.
  

  

• Ainembabazi, D.; Horlyck, J.; Dolan, D.; Finn, M.; Lee, A.; Wilson, K.; Voutchkova-Kostal, A. Multifunctional Catalysts for Direct Conversion of Alcohols to Long-Chain Hydrocarbons via Deoxygenative Olefination, ACS Sust. Chem. & Eng.   2021, 9, 44, 14657–14662.

• Ganesh, K.; Zhang, G.; Miller, S.; Rossen, K.; Chirik, P.; Kozlowski, M.; Zimmerman, J.; Brooks, B.; Savage, P.;  Allen, D.;Voutchkova-Kostal, A. Green Chemistry: A Framework for a Sustainable Future,  ACS Omega 2021, 6, 25, 16254–16258.

• Ainembabazi, D.; Wang, K.; Finn, M.; Ridenour, J.; Voutchkova-Kostal, A. Efficient Transfer Hydrogenation of Carbonate Salts from Glycerol using Water-Soluble Iridium N-Heterocyclic Carbene Catalysts, Green Chemistry, 2020, 22, 6093 – 6104.
• Wang, K.; Heltzel, J.; Sandefur, E.; Culley, K.; Lemcoff, G.; Voutchkova-Kostal, A. Transfer hydrogenation of levulinic acid from glycerol and ethanol using water-soluble iridium N-heterocyclic carbene complexes, Journal of Organometallic Chemistry, 2020, 919, 121310.
• Kostal, J; Voutchkova-Kostal, A. Going All In: A Strategic Investment in In Silico Toxicology,  Chemical Research in Toxicology 33 (4), 880-888.
• Ainembabazi, D.’ Reid, C.; Chen, A.; Nan, A.; Kostal, J.; Voutchkova-Kostal, A. Decarbonylative Olefination of Aldehydes to Alkenes J. Am. Chem. Soc.  2020, 142, 2, 696-699. [Feature in C&EN]
  

• Mills, M. G.; Ramsden, R.; Ma, E. Y.; Corrales, J.; Kristofco, L. A.; Steele, W. B.; Saari, G. N.; Melnikov, F.; Kostal, J.; Kavanagh, T. J.; Zimmerman, J. B.; Voutchkova-Kostal, A.; Brooks, B.; Coish, P.; Anastas, P. T.; Gallagher, E. CRISPR-generated Nrf2a loss- and gain-of-function mutants facilitate mechanistic analysis of chemical oxidative stress-mediated toxicity in zebrafish. Chem. Res. Toxicol. 2019, 33, 2, 426-435.
  
• Voutchkova-Kostal, A,. M. Editorial: Virtual Special Issue on Hydrogen Transfer Strategies for Biomass Valorization, ACS Sustainable Chem. Eng. 2019, 7, 16935−16936.

• An, N.;  Ainembabazi, D.; Reid, C.; Samudrala, K.; Wilson, K.; Lee, A. F.;  Voutchkova-Kostal, A. M. Microwave-assisted decarbonylation of biomass-derived aldehydes using Pd-doped hydrotalcites ChemSusChem, 2019, 13, 2, 312-320. [Cover Feature]

• Steele, B.; Kristofco, L.; Corrales, J.; Saari. G. N.; Corcoran, E.; Hill, B. N.; Mills, M. G.; Gallagher, E.; Kavanagh, T. J.; Melnikov, F.; Zimmerman, J. B.; Voutchkova-Kostal, A.; Anastas, P. T.; Kostal, J.*; Brooks, B.; * Toward Less Hazardous Industrial Compounds: Coupling Quantum Mechanical Computations, Biomarker Responses, and Behavioral Profiles To Identify Bioactivity of SN2 Electrophiles  Chem. Res. Toxicol. 2020, 33, 2, 367-380

• Ainembabazi, D. An, N.; Manayil, J. C.; Wilson, K.; Lee, A. F.;  Voutchkova-Kostal, A. M. Acceptorless amine dehydrogenation and transamination using Pd-doped hydrotalcites. ACS Catalysis 2019, 9, 2, 1055-1065.
• Melnikov, F.; Botta, D.; White, C. C.; Schmuck, S. C.; Winfough, M.; Schaupp, C. M.; Gallagher, E.; Brooks, B. W.; Williams, E. S.; Coish, P.; Anastas, P. T.; Voutchkova, A.; Kostal, J.; Kavanagh, T. J., Kinetics of Glutathione Depletion and Antioxidant Gene Expression as Indicators of Chemical Modes of Action Assessed in vitro in Mouse Hepatocytes with Enhanced Glutathione Synthesis. Chem. Res. Toxicol. 2018, 3, 421-436. Thanks to all MoDRN collaborators.

• Yaseneva, P.; An, N.; Finn, M.; Tidemann, N.; Jose, N.; Voutchkova-Kostal, A.; Lapkin, A., Continuous synthesis of doped layered double hydroxides in a meso-scale flow reactor. Chemical Engineering Journal 2019, 360, 190-199.

• Steele, B.; Kristofco, L. A.; Corrales, J.; Saari, G. N.; Haddad, S. P.; Gallagher, E. P.; Kavanagh, T. J.; Kostal, J.; Zimmerman, J. B.; Voutchkova-Kostal, A.; Anastas, P. T.; Brooks, B. Comparative behavioral toxicology with two common larval fish models: Exploring relationships among modes of action and locomotor responses, Science of The Total Environment, 640–641, 2018, 1587–1600. Thanks to Brooks group, and MoDRN collaborators.
  
• Finn, M.; Donahue, C.; Blake, A. V.; An, N.; Daly, S. R.; Voutchkova-Kostal, A. Electronic Support Effects of Tunable Mixed Metal Oxides on Immobilized Palladium N-Heterocyclic Carbene Complexes, J. Inorg. Chem. 2018, 2471 – 2479.
• Heltzel, J.; Finn, M.; Ainembabazi, D.; Wang, K.; Voutchkova-Kostal, A. M. Transfer Hydrogenation of Carbon Dioxide and Bicarbonate from Glycerol Under Aqueous Conditions, Chemical Communications. 2018, 54, 6184 – 6187.

• Finn, M.; Ridenour, J. A.; Heltzel, J.; Cahill, C.; Voutchkova-Kostal, A. Next-Generation Water-Soluble Homogeneous Catalysts for Conversion of Glycerol to Lactic Acid, Organometallics, 2018, 37, 1400-1409. Editor’s Choice Article

• Coish, P.; Brooks, B. W.; Gallagher, E. P.; Mills, M.; Kavanagh, T. J.; Simcox, N.; Lasker, G. A.; Botta, D.; Schmuck, S. C.; Voutchkova-Kostal, A. M.; Kostal, J.; Mullins, M. L.; Nesmith, S. M.; Mellor, K. E.; Corrales, J.; Kristofco, L. A.; Saari, G. N.; Steele, B.; Shen, L. W.; Melnikov, F.; Zimmerman, J. B.; Anastas, P. T. The Molecular Design Research Network, Toxicological Sciences 2018, 161 (2), 241-248.
  
• Mellor, K. E.; Coish, P.; Brooks, B. W.; Gallagher, E. P.; Mills, M.; Kavanagh, T. J.; Simcox, N.; Lasker, G. A.; Botta, D.; Voutchkova-Kostal, A.; Kostal, J.; Mullins, M. L.; Nesmith, S. M.; Corrales, J.; Kristofco, L.; Saari, G.; Steele, W. B.; Melnikov, F.; Zimmerman, J. B.; Anastas, P. T. Gamification of green chemistry and safer chemical design concepts for high school and undergraduate students, Green Chemistry Letters and Reviews, 2018, 11, 103-110.
  
• Azua, A.; Finn, M. Yi, H.; Dantas, A. B.; Voutchkova-Kostal, A Transfer Hydrogenation from Glycerol: Activity and Recyclability of Iridium and Ruthenium Sulfonate-Functionalized N-Heterocyclic Carbene Catalysts, ACS Sustainable Chemistry & Engineering, 2017, 5 (5), 3963–3972.

• Coish, P.; Brooks, B.; Gallagher, E. P.; Kavanagh, T. J.; Voutchkova-Kostal, A. M.; Zimmerman, J. B.; Anastas, P. T. Current Status and Future Challenges in Molecular Design for Reduced Hazard, ACS Sustainable Chemistry & Engineering, 2016, 4(11), 5900-5906.

• Corrales, J.; Kristofco, L.; Steele, W. B.; Saari, G. N.;Kostal, J.;  Williams, S. E.; Mills, M.; Gallagher, E.P.; Kavanagh, Simcox, N.; T. J. Shen, L.; Melnikov, F.; Zimmerman, J.; Voutchkova-Kostal, A.; Anastas, P.; Brooks, B. Towards the design of less hazardous chemicals: Exploring comparative oxidative stress in two common animal models. Chem. Res. Toxicol. 2016, 30(4), 893-904.

• An, N.; Machado, J.H.; Teng, Y.; Kostal, J.; Voutchkova-Kostal, A. M. Predicting Skin Permeation Rate from Nuclear Magnetic Resonance Spectra, Green Chemistry, 2016,18, 4468-4474.

• Melnikov, F.; Kostal, J.; Voutchkova-Kostal, A.; Zimmerman, J. B.; Anastas, P.; Assessment of Predictive Models for Estimating the Acute Aquatic Toxicity of Organic Chemicals, Green Chemistry, 2016, 18, 4432-4435.

• Kostal, J.; Voutchkova-Kostal, A. CADRE-SS, an In Silico Tool for Predicting Skin Sensitization Potential Based on Modeling of Molecular Interactions. Chem. Res. Toxicol. 2016, 29 (1), 58–64.
• Bain, J.; Munro, C. M.; Cho, P.; Voutchkova-Kostal, A., Recyclable hydrotalcite catalysts for alcohol imination via acceptorless dehydrogenation, Green Chemistry, 2015, 17, 2271-2280.

• 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, I, 13016-13020.

• Kostal, J.K.; Voutchkova-Kostal, A.M.; Zimmerman, J.; Anastas, P.; Computational Approaches for Identifying Chemicals with Minimal Toxicity to the Fathead Minnow, Proc.  Nat. Acad. Sci, 2015, 112, 20, 6289-6294.

• An, N.; Van der Mei, F.; Voutchkova-Kostal, A. M. Global Model for Octanol-Water Partition Coefficients from Proton Nuclear Magnetic Resonance Spectra, Molecular Informatics, 2014, 33, 284-292.

• 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, Toxicol. and Chemistry, 2014, 33 (8), 1894-1902.
• Kostal, J.; Voutchkova-Kostal A. M.; Weeks, B.; Zimmerman, J. B.; Anastas, P. T. A Free Energy Approach to the Prediction of Olefin and Epoxide Mutagenicity and Carcinogenicity, Res. Toxicol. 2012, 25(12), 2780-2787.
• Lapkin, A.; Voutchkova, A.; Anastas, P., A conceptual framework for description of complexity in intensive chemical processes, Chemical and Engineering Processing; 2011, 50(10), 1027-1034.
• Voutchkova, 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.
•  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.; Osmitz. T. H.; Anastas, P. T. Toward a Comprehensive Molecular Design Framework for Reduced Hazard, Rev. 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, 1015-1019.
• Voutchkova, A. M. and Crabtree, R. H. Rhodium and Iridium N-heterocyclic Carbene Complexes from Imidazolium Carboxylates. Synth. 2010, 35, 88-91.
• Voutchkova, A. M. and Crabtree, R. H. Ir-catalyzed Benzylic C-H Activation and Functionalization to Alcohols, Aldehydes and Imines.Mol. Catal. A 2009, 312, 1-6. Editor’s Choice Article.
• Voutchkova, A. M.,;Coplin, A.; Leadbeater, N.L.; Crabtree, R. H. Microwave Accelerated Palladium-catalyzed Decarboxylative Coupling Reactions Using Aryl Halides and Unfunctionalized Arenes, Commun. 2008 6312 – 6314.
• Voutchkova, A. M.; Gnanamgari, D.; Jakobche, C.; Parr, J.; Miller, S.; Crabtree, R. H. Selective Partial Reduction of Quinoline Derivatives by Hydrosilylation, Organomet. Chem. 2008, 693(10), 1815-1821.
• Voutchkova, A. M.; Perez, M.; Clot, E.; Eisenstein O.; Incarvito, C.; Crabtree, R. H. Imidazolium Carboxylates as Versatile and Selective N-Heterocyclic Carbene Transfer Agents: Synthesis, Mechanism and Applications. Am. Chem. Soc. 2007, 129(42); 12834-12846.
• Leung,C.H.;Voutchkova, A. M.; Crabtree, R.H.; Balcells, D.; Eisenstein,O. Green Synthesis of Amides via Oxaziridines, Green Chemistry2007, 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. Am. Chem. Soc.2005, 127, (50), 17624-17625.
• Choi, S.; Cooley, B.; Voutchkova,  A. M.; Leung, C. H.; Vastag, L.; Knowles, D. E. /. Cyclization.J. Am. Chem. Soc.2005, 127, (6), 1773-1781.

Patent Applications

1. Voutchkova-Kostal, A.; An, N.; Van Der Mei, F. Methods of Predicting Chemical Properties from Spectroscopic Data. Patent Application No. 61/836,430, (GWU)
2. Catalysts for the Transformation of Carbon Dioxide and Glycerol to Formic and Lactic Acid and Methods for Making the Same, Patent Application No. 62/508,509, (GWU)

Books and Chapters

1. Voutchkova, A. M.; Boethling, R. and Anastas, P. (Editors). Designing Safer Chemicals, Volume 9 of Handbook of Green Chemistry Series. Wiley-VCH 2012.
2. Voutchkova, A. M.; Kostal, K. and Anastas, P. Property-based molecular design guidelines for reducing ecotoxicity, in Designing Safer Chemicals, Volume 9, Handbook of Green Chemistry Series. Wiley-VCH 2012 (Eds. Voutchkova, A.M.; Boethling, R. and Anastas, P.) http://onlinelibrary.wiley.com/doi/10.1002/9783527628698.hgc107/abstract