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

被引：5

作者：

Wang, Jing

Gu, Jiande ^{[1
]}

Leszczynski, Jerzy

机构：

[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

来源：

CHEMICAL PHYSICS LETTERS | 2007年 / 442卷 / 1-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/j.cplett.2007.05.071

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

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.

引用

收藏

页码：124 / 127

页数：4

相关论文

共 19 条

[11] DEVELOPMENT OF THE COLLE-SALVETTI CORRELATION-ENERGY FORMULA INTO A FUNCTIONAL OF THE ELECTRON-DENSITY [J].

LEE, CT ;

YANG, WT ;

PARR, RG .

PHYSICAL REVIEW B, 1988, 37 (02) :785-789

[12] ULTRAVIOLET PHOTOELECTRON STUDIES OF THE GROUND-STATE ELECTRONIC-STRUCTURE AND GAS-PHASE TAUTOMERISM OF HYPOXANTHINE AND GUANINE [J].

LIN, J ;

YU, C ;

PENG, S ;

AKIYAMA, I ;

LI, K ;

LEE, LK ;

LEBRETON, PR .

JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (09) :1006-1012

[13] Partial third-order quasiparticle theory: Comparisons for closed-shell ionization energies and an application to the Borazine photoelectron spectrum [J].

Ortiz, JV .

JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (19) :7599-7605

[14] ELECTRON-DONOR AND ELECTRON-ACCEPTOR PROPERTIES OF BIOLOGICALLY IMPORTANT PURINES, PYRIMIDINES, PTERIDINES, FLAVINS, AND AROMATIC AMINO ACIDS [J].

PULLMAN, B ;

PULLMAN, A .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1958, 44 (12) :1197-1202

[15] SEQUENCE-SPECIFIC RECOGNITION OF DOUBLE HELICAL NUCLEIC-ACIDS BY PROTEINS [J].

SEEMAN, NC ;

ROSENBERG, JM ;

RICH, A .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1976, 73 (03) :804-808

[16] How easily oxidizable is DNA? One-electron reduction potentials of adenosine and guanosine radicals in aqueous solution [J].

Steenken, S ;

Jovanovic, SV .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1997, 119 (03) :617-618

[17] Photoelectron spectra of the nucleobases cytosine, thymine and adenine [J].

Trofimov, AB ;

Schirmer, J ;

Kobychev, VB ;

Potts, AW ;

Holland, DMP ;

Karlsson, L .

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2006, 39 (02) :305-329

[18] Direct experimental observation of the low ionization potentials of guanine in free oligonucleotides by using photoelectron spectroscopy [J].

Yang, X ;

Wang, XB ;

Vorpagel, ER ;

Wang, LS .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2004, 101 (51) :17588-17592

[19] Base and phosphate electron detachment energies of deoxyribonucleotide anions [J].

Zakjevskii, Viatcheslav V. ;

King, Samuel J. ;

Dolgounitcheva, Olga ;

Zakrzewski, Viatcheslav G. ;

Ortiz, Joseph Vincent .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2006, 128 (41) :13350-13351