Theoretical investigations on the formation of nitrobenzanthrone-DNA adducts.

Abstract

3-Nitrobenzanthrone (3-NBA) is a potent mutagen and suspected human carcinogen identified in diesel exhaust. The thermochemical formation cascades were calculated for six 3-NBA-derived DNA adducts employing its arylnitrenium ion as precursor using density functional theory (DFT). Clear exothermic pathways were found for four adducts, i.e., 2-(2… (More)
DOI: 10.1039/c1ob05570d

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@article{Arlt2011TheoreticalIO, title={Theoretical investigations on the formation of nitrobenzanthrone-DNA adducts.}, author={Volker M Arlt and David H. Phillips and J{\'o}hannes Reynisson}, journal={Organic & biomolecular chemistry}, year={2011}, volume={9 17}, pages={6100-10} }