Electron detachment of the hydrogen-bonded amino acid side-chain-guanine complexes

doi:10.1016/j.cplett.2007.05.071

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	Electron detachment of the hydrogen-bonded amino acid side-chain-guanine complexes
	Wang, Jing ; Gu, Jiande; Leszczynski, Jerzy
刊名	CHEMICAL PHYSICS LETTERS
	2007-07-06
卷号	442 期号:1-3 页码:124-127
ISSN号	0009-2614
DOI	10.1016/j.cplett.2007.05.071
文献子类	Article
英文摘要	The photoelectron spectra of the hydrogen-bonded amino acid side-chain-guanine complexes has been studied at the partial third order (P3) self-energy approximation of the electron propagator theory. The correlation between the vertical electron detachment energy and the charge distributions on the guanine moiety reveals that the vertical electron detachment energy (VDE) increases as the positive charge distribution on the guanine increases. The low VDE values determined for the negatively charged complexes of the guanine-sidechain-group of Asp/Glu suggest that the influence of the H-bonded anionic groups on the VDE of guanine could be more important than that of the anionic backbone structure. The even lower vertical electron detachment energy for guanine is thus can be expected in the H-bonded protein-DNA systems. (C) 2007 Elsevier B.V. All rights reserved.
WOS关键词	ULTRAVIOLET PHOTOELECTRON ; IONIZATION-POTENTIALS ; DNA ALKYLATION ; ENERGIES ; TAUTOMERISM ; SPECTRA ; DENSITY ; THYMINE ; BASE
WOS研究方向	Chemistry ; Physics
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000248247300022
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/273202]
专题	药物发现与设计中心中科院受体结构与功能重点实验室新药研究国家重点实验室
通讯作者	Gu, Jiande
作者单位	1.Jackson State Univ, Dept Chem, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA 2.CAS, Shanghai Inst Biol Sci, Shanghai Inst Mat Med, State Key Lab Drug Res,Drug Design & Discovery Ct, Shanghai 201203, Peoples R China
推荐引用方式 GB/T 7714	Wang, Jing,Gu, Jiande,Leszczynski, Jerzy. Electron detachment of the hydrogen-bonded amino acid side-chain-guanine complexes[J]. CHEMICAL PHYSICS LETTERS,2007,442(1-3):124-127.
APA	Wang, Jing,Gu, Jiande,&Leszczynski, Jerzy.(2007).Electron detachment of the hydrogen-bonded amino acid side-chain-guanine complexes.CHEMICAL PHYSICS LETTERS,442(1-3),124-127.
MLA	Wang, Jing,et al."Electron detachment of the hydrogen-bonded amino acid side-chain-guanine complexes".CHEMICAL PHYSICS LETTERS 442.1-3(2007):124-127.