Long-range Electron Transfer in Peptides: Influence of Peptide Conformation and Side Chain Separation upon Electron Transfer Element

Abstract

Abstract: The geometries of neutral indole and phenol, as well as their cation radicals and anion radicals, have been optimized by using AM1 method. In the doublewell potential constructions of the electron transfer (ET) between indole cation radical and neutral phenol, linear reaction coordinate approximation has been adopted, and the conductorlike screening model has been involked. Based on the indolephenol doublewell potential, the reaction heat and the inner reorganization energy of ETbetween tryptophan and tyrosine have been evaluated. AM1 method has been applied to obtain the geometries and the conformations of TrpH(Pro)nTyrOH(n=0-3) model systems. ETmatrix elements for the intramolecular ETin those model peptides have been estimated through the determination of the minimum of the energy splitting factor.

Key words: Electron transfer, Peptide, Linear reaction coordinate, Energy splitting factor

CLC Number:

O641

TrendMD:

LI XiangYuan, YI HaiBo, LIU JiFeng, TONG Jing, HE FuCheng . Long-range Electron Transfer in Peptides: Influence of Peptide Conformation and Side Chain Separation upon Electron Transfer Element[J]. Chem. J. Chinese Universities, 2001, 22(12): 2056.

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Long-range Electron Transfer in Peptides: Influence of Peptide Conformation and Side Chain Separation upon Electron Transfer Element

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