A theoretical study of N‐nitrosamine metabolites: Possible alkylating species in carcinogenesis by N,N'‐dimethyl nitrosamine

C. Thomson, C.A. Reynolds

Research output: Contribution to journalArticle

8 Citations (Scopus)

Abstract

The results of ab initio calculations using a 4–21G basis set are reported for various possible metabolites of N,N'‐dimethylnitrosamine. The relevance of these results to the nature of the alkylating agent is discussed. Although the calculations widen the range of possible alkylating agents that need to be considered, the diazonium ion appears to be the most likely candidate.
Original languageEnglish
Pages (from-to)751-762
JournalInternational Journal of Quantum Chemistry
Volume30
Issue number6
DOIs
Publication statusPublished - Dec 1986
Externally publishedYes

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