Benzopyrenes: Correlations between HMO theoretical reactivity indices and carcinogenicity

Autor:	V. Soriano, W. Confer, David S. Soriano, Jon A. Draeger, Donald A. Robbins
Rok vydání:	1990
Předmět:	chemistry.chemical_compound chemistry Benzo(a)pyrene Carbonium ion Computational chemistry Stereochemistry Benzopyrenes Benzo(e)pyrene Pyrene Reactivity (chemistry) Pollution Carcinogen
Zdroj:	Journal of Environmental Science and Health . Part A: Environmental Science and Engineering and Toxicology. 25:277-289
ISSN:	1077-1204
DOI:	10.1080/10934529009375556
Popis:	Methyl substitution in benzo[a]pyrene 1 leads to isomeric derivatives with distinctly different carcinogenic potencies. Using the elements of “Bay‐Region”; carbonium ions and Seybold‐Smith reactivity theory, these differences in carcinogenic activity can be explained using HMO reactivity indices. Theoretical reaction indices will also be presented for the lesser studied benzo [e]pyrene system 2.
Databáze:	OpenAIRE
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