With funding from the Organic Dynamics Program, Professor Bach from Wayne State University is investigating the mechanisms of oxidation chemistry. This study is to use molecular orbital calculations to explore the dynamic and electronic characteristics of oxidation systems that include: Sharpless epoxidation methodology, flavin enzyme oxidations, dioxirane oxidants, cytochrome P-450 enzymes and Fenton's reagent. From these ab initio calculations, several electronic parameters that govern oxidation reactions are to be elaborated. Oxidation is one of the ways that biological systems have for degrading organic material into useful metabolic products and waste materials. This research is designed to provide a clearer understanding of these fundamental processes. Several biochemical systems are to be investigated along with a few organic reagents.
