Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Center for Advanced Study, Shandong University of Technology, Zibo 255049, P.R. China.
Int J Mol Sci. 2008 Oct;9(10):1908-1914. doi: 10.3390/ijms9101908. Epub 2008 Oct 8.
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.
基于密度泛函理论计算，研究了多酚（如芦丁和儿茶素）对三态激发态核黄素的失活作用。结果表明，从热力学角度来看，与芦丁/儿茶素引起的三态激发态核黄素失活所涉及的直接能量转移或直接电子转移途径相比，氢原子转移途径更具可行性。这些发现有助于理解多酚对核黄素引起的光致敏化损伤的保护作用。
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