Document Detail

Relationship between chlorofluorocarbon chemical structure and their Salmonella mutagenicity.
MedLine Citation:
PMID:  1942125     Owner:  NLM     Status:  MEDLINE    
This paper is a quantitative analysis of the relationship between the chemical structure and the Salmonella mutagenicity of a number of chlorofluorocarbons (CFC). The molecules were characterized by both molecular orbital and physical chemical parameters. The results of the analysis indicated that the CFC mutagenicity is correlated with two parameters: the free energy of binding to biological receptors, and the energy of the highest occupied molecular orbital (HOMO). Since these are the same factors that would favor the cytochrome P-450-catalyzed metabolism, it would appear that the CFC mutagenicity is determined more by the rate of initial activation than by the rate of DNA attack.
R Benigni; M Cotta-Ramusino; C Andreoli
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Publication Detail:
Type:  Journal Article    
Journal Detail:
Title:  Journal of toxicology and environmental health     Volume:  34     ISSN:  0098-4108     ISO Abbreviation:  J Toxicol Environ Health     Publication Date:  1991 Nov 
Date Detail:
Created Date:  1991-12-26     Completed Date:  1991-12-26     Revised Date:  2000-12-18    
Medline Journal Info:
Nlm Unique ID:  7513622     Medline TA:  J Toxicol Environ Health     Country:  UNITED STATES    
Other Details:
Languages:  eng     Pagination:  397-407     Citation Subset:  IM    
Laboratory of Comparative Toxicology and Ecotoxicology, Istituto Superiore di Sanità, Rome, Italy.
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MeSH Terms
Discriminant Analysis
Fluorocarbons / chemistry,  metabolism,  toxicity*
Hydrocarbons, Chlorinated / chemistry,  metabolism,  toxicity*
Mutagenicity Tests
Mutagens / chemistry,  metabolism,  toxicity*
Salmonella / drug effects
Structure-Activity Relationship
Reg. No./Substance:
0/Fluorocarbons; 0/Hydrocarbons, Chlorinated; 0/Mutagens

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