Molecular Mechanics Tutorial

MOLECULAR MECHANICS TUTORIAL Author: Vladyslav Kholodovych, Ph.D. University of Medicine & Dentistry of New Jersey Robert Wood Johnson Medical School 675 Hoes Lane Piscataway, NJ 08854 U.S.A. (732) 235-3229 phone (732) 235-3475 FAX kholodvl@umdnj.edu http://www2.umdnj.edu/~kholodvl/ 1UMDNJ Structural Bioinformatics I MOLECULAR MECHANICS TUTORIAL Dr. Vladyslav Kholodovych kholodvl@umdnj.edu Polychlorinated biphenyls (PCBs) are mixtures of synthetic organic chemicals with the same basic chemical structure and similar physical properties ranging from oily liquids to waxy solids. Due to their non-flammability, chemical stability, high boiling point and electrical insulating properties, PCBs were used in hundreds of industrial and commercial applications including electrical, heat transfer, and hydraulic equipment; as plasticizers in paints, plastics and rubber products; in pigments, dyes and carbonless copy paper and many other applications. More than 1.5 billion pounds of PCBs were manufactured in the United States prior to cessation of production in 1977. Concern over the toxicity and persistence in the environment of Polychlorinated Biphenyls (PCBs) led Congress in 1976 to enact §6(e) of the Toxic Substances Control Act (TSCA) that included among other things, prohibitions on the manufacture, processing, and distribution in commerce of PCBs. Thus, TSCA legislated true "cradle to grave" (i ...