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Article

Quantum-chemical studies of aflatoxin B1, sterigmatocystin and versicolorin A, and a comparison with their mutagenic activity.

Mutation research - 1 Jan 2000

Pachter R, Steyn P S

Abstract excerpt

The INDO atomic charges q and Wiberg bond indices p (in electrons) were calculated for aflatoxin B1, sterigmatocystin and versicolorin A. The C-2-C-3 bond in these compounds has the same bond order and is predicted to be the most reactive towards epoxidation. The electronic effects do not explain the observed differences in mutagenicity and toxicity.

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Identifiers

PMID: 3923331
DOI: 10.1016/0165-7992(85)90111-3

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-08.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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