Understanding the toxicity of phenols: using quantitative structure-activity relationship and enthalpy changes to discriminate between possible mechanisms.

@article{Shadnia2008UnderstandingTT,
  title={Understanding the toxicity of phenols: using quantitative structure-activity relationship and enthalpy changes to discriminate between possible mechanisms.},
  author={H. Shadnia and J. Wright},
  journal={Chemical research in toxicology},
  year={2008},
  volume={21 6},
  pages={
          1197-204
        }
}
  • H. Shadnia, J. Wright
  • Published 2008
  • Chemistry, Medicine
  • Chemical research in toxicology
  • Experimental studies of the "extended toxicity" of substituted phenols are mainly of two types: the toxicity due to phenoxyl radical formation and the toxicity caused by metabolites, for example, the formation of quinones. Quantitative structure-activity relationship (QSAR) studies of phenol toxicity have dealt with the formation of phenoxyl radicals using bond dissociation enthalpy (BDE) of parent phenols, have obtained good correlations with experimental data, and have concluded that phenoxyl… CONTINUE READING
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