[Theoretical rationale for structure-genotoxicity relationships in the series of halogenated short-chain aliphatic compounds for mammals and bacteria].
Structure-genotoxicity relationships for mammals and structure-mutagenic activity relationships for bacterial were derived in the series of halogenated short-chain hydrocarbons and alcohols, by using the calculated quantum chemical parameters, namely the energy differences of frontier molecular orbitals and the electronic characteristics of the probable metabolites.
Kharchevnikova
N V
NV
NII of Human Ecology and Environmental Hygiene RAMN, Moscow.
Zholdakova
Z I
ZI
Zhurkov
V S
VS
D000438:Alcohols / Q000737:chemistry / Q000493:pharmacokinetics / Q000633:toxicity; D000818:Animals; D006224:Cricetinae; D004269:DNA, Bacterial / Q000187:drug effects; D004781:Environmental Exposure / Q000009:adverse effects*; D006846:Hydrocarbons, Halogenated / Q000737:chemistry / Q000493:pharmacokinetics / Q000633:toxicity; D008099:Liver / Q000187:drug effects* / Q000378:metabolism / Q000473:pathology; D008322:Mammals / Q000235:genetics; D051379:Mice; D008962:Models, Theoretical; D015394:Molecular Structure; D016296:Mutagenesis / Q000187:drug effects*; D051381:Rats; D012486:Salmonella typhimurium / Q000187:drug effects* / Q000235:genetics / Q000378:metabolism
D000438:Alcohols; D004269:DNA, Bacterial; D006846:Hydrocarbons, Halogenated