This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Keywords: cyclization terpene epoxide lipid polyketide dft mp2 transition state The focus of the research proposed herein, a renewal of CHE030089N, is to apply modern quantum chemical methods (primarily DFT and MP2) to the characterization and design of organic reactions that are used in the synthesis and biosynthesis of polycyclic organic molecules. We will concentrate on four types of cyclization reactions: (1) cation- and radical-promoted biosynthetic polycyclization reactions leading to an unusual class of ladderane-containing bacterial lipids, (2) cation-promoted biosynthetic polycyclization reactions that produce structurally unusual polyketides with antimicrobial and antitumor activities, (3) cation-promoted polycylization reactions involved in biosyntheses of terpenoid natural products, and (4) acid- and base-promoted polyepoxide cyclizations involved in the biosynthesis of polyether natural products.
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