Theoretical study of interactions between cysteine and perfluoropropanoic acid in gas and aqueous phase

@article{Holmes2009TheoreticalSO,
  title={Theoretical study of interactions between cysteine and perfluoropropanoic acid in gas and aqueous phase},
  author={T. M. Holmes and J. Doskocz and Terrance Wright and G. Hill},
  journal={International Journal of Quantum Chemistry},
  year={2009},
  volume={109},
  pages={119-123}
}
The interaction of perfluoropropanoic acid (PFPA) with the amino acid cysteine was investigated using density functional theory. Previous studies suggest that the peroxisome proliferator chemical, perfluorooctanoic acid, is circulated throughout the body by way of sulfur-containing amino acids. We present conformational analysis of the interactions of PFPA, a small model of perfluorooctanoic acid, with the sulfur-containing amino acid which occur by the process of hydrogen bonding, in which the… Expand
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