Electron detachment of the hydrogen-bonded amino acid side-chain-guanine complexes | |
Wang, Jing; Gu, Jiande![]() | |
刊名 | CHEMICAL PHYSICS LETTERS
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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. |
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