Oxidation mechanism of methionine by HO• radical: a theoretical study.

@article{Marino2012OxidationMO,
  title={Oxidation mechanism of methionine by HO• radical: a theoretical study.},
  author={Tiziana Marino and Catalina Soriano-Correa and Nino Russo},
  journal={The journal of physical chemistry. B},
  year={2012},
  volume={116 18},
  pages={5349-54}
}
A theoretical investigation at the MP2/6-311++G(2d,2p)//MP2/6-31+G(d,p) level was employed in order to study the one-electron oxidation mechanism of methionine in aqueous solution. Three reaction paths corresponding to the HO(•), O(2) attack and hydrolysis were considered. Results show that all the processes are exothermic and that the rate determining step… CONTINUE READING