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Article

Model transition states for methane diazonium ion methylation of guanine runs in oligomeric DNA.

Journal of computational chemistry - 15 Nov 2007

Ekanayake Kaushalya S, Lebreton Pierre R

Abstract excerpt

The DNA reaction pattern of the methane diazonium ion, which is the reactive intermediate formed from several carcinogenic methylating agents, was examined at N7 and O(6) sites in guanine runs occurring in oligonucleotides and model oligonucleotides. Density functional B3LYP/6-31G*, and SCF 3-21G and STO-3G energies of model transition states were calculated in the gas phase and in the CPCM reaction field. For...

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PMID: 17476668
DOI: 10.1002/jcc.20754

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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