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Int. J. Mol. Sci. 2008, 9(10), 1908-1914; doi:10.3390/ijms9101908
Article

A DFT Study on Deactivation of Triplet Excited State Riboflavin by Polyphenols

 and *
Received: 30 July 2008 / Revised: 7 September 2008 / Accepted: 27 September 2008 / Published: 8 October 2008
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Abstract

The deactivation of triplet excited state riboflavin by polyphenols, e.g. rutin and catechin, was studied on the basis of density functional theory calculations. The results show that the H-atom transfer pathway is more feasible on thermodynamic grounds in comparison with the direct energy transfer or direct electron transfer pathways involved in the triplet excited state riboflavin deactivation by rutin/catechin. The findings are helpful to understand the protective effect of polyphenols against the riboflavin induced photosensitizing damage.
Keywords: Riboflavin; polyphenols; triplet excited state; deactivation; density functional theory Riboflavin; polyphenols; triplet excited state; deactivation; density functional theory
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Ji, H.-F.; Shen, L. A DFT Study on Deactivation of Triplet Excited State Riboflavin by Polyphenols. Int. J. Mol. Sci. 2008, 9, 1908-1914.

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