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Published in 2022 at "Chemical research in toxicology"
DOI: 10.1021/acs.chemrestox.2c00135
Abstract: Tobacco smoke is a complex mixture of more than 7000 chemicals, of which many are toxic and/or carcinogenic. Many hazard assessments of tobacco have focused on individual chemical exposures without consideration of how the chemicals…
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Keywords:
nnk acrolein;
methylnitrosamino pyridyl;
tobacco;
pyridyl butanone ... See more keywords
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Published in 2019 at "Chemical research in toxicology"
DOI: 10.1021/acs.chemrestox.9b00353
Abstract: As an abundantly present tobacco component, carcinogen 4-(methylnitrosamino)- 1-(3-pyridyl)-1-butanone (NNK) has also been detected in atmospheric particulate matter, suggesting the ineluctable exposure risk of this contaminant. NNK metabolic activation by cytochrome P450 enzymes (CYPs) is…
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Keywords:
mechanism;
regioselectivity;
pyridyl butanone;
butanone nnk ... See more keywords
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Published in 2021 at "RSC Advances"
DOI: 10.1039/d1ra04343a
Abstract: NNKDI TCTT molecular orbital energies (a), molecular orbitals 46 (HOMO), 47 (LUMO) and 48 (LUMO+1) as calculated at the B3LYP/6-311G** level of theory.
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Keywords:
properties methylnitrosamino;
chemical properties;
pyridyl butanone;
butanone nnk ... See more keywords