Theoretical calculations and reaction analysis on the interaction of pentavalent thioarsenicals with biorelevant thiol compounds.

@article{Suzuki2008TheoreticalCA,
  title={Theoretical calculations and reaction analysis on the interaction of pentavalent thioarsenicals with biorelevant thiol compounds.},
  author={Noriyuki Suzuki and Hua Naranmandura and Seishiro Hirano and Kazuo T. Suzuki},
  journal={Chemical research in toxicology},
  year={2008},
  volume={21 2},
  pages={550-3}
}
To obtain a rational understanding of the extraordinary interaction of pentavalent thioarsenicals with biorelevant thiol compounds, we carried out ab initio calculations on related arsenic compounds and discussed the correlation between the distribution of observed arsenic species in actual reaction systems and the corresponding calculated reaction enthalpies. Previously, it was considered that pentavalent arsenicals do not form thiol conjugates. However, the dimethylmonothioarsinic acid… CONTINUE READING

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