Energetics of hole transfer in DNA

被引：170

作者：

Voityuk, AA

Jortner, J

Bixon, M

Rösch, N

机构：

[1] Tech Univ Munich, Inst Phys & Theoret Chem, D-85747 Garching, Germany

[2] Tel Aviv Univ, Sch Chem, IL-69978 Tel Aviv, Israel

来源：

CHEMICAL PHYSICS LETTERS | 2000年 / 324卷 / 5-6期

关键词：

D O I：

10.1016/S0009-2614(00)00638-2

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：

Using the semi-empirical scheme NDDO-G, we estimated energies for hole transfer in DNA duplexes on the basis of calculated ionization potentials (IP) of nucleobases in triplets of regular structure. All possible triad 5'-XBY-3' duplexes (X,B,Y = A,G,C,T) were considered. We find that the stabilization of B+ is considerably influenced by the subsequent base Y while the effect of the preceding base X is rather small. We test the application of triplet models by comparison with a decamer duplex. The present semi-empirical results have also been compared with data from ab initio calculations and experiment. (C) 2000 Elsevier Science B.V. All rights reserved.

引用

收藏

页码：430 / 434

页数：5

相关论文

共 24 条

[11] Charge transfer and transport in DNA [J].

Jortner, J ;

Bixon, M ;

Langenbacher, T ;

Michel-Beyerle, ME .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1998, 95 (22) :12759-12765

[12]

Kelley SO, 1999, ANGEW CHEM INT EDIT, V38, P941, DOI 10.1002/(SICI)1521-3773(19990401)38:7<941::AID-ANIE941>3.0.CO

[13]

2-7

[14] Structure and conformation of helical nucleic acids: Rebuilding program (SCHNArP) [J].

Lu, XJ ;

ElHassan, MA ;

Hunter, CA .

JOURNAL OF MOLECULAR BIOLOGY, 1997, 273 (03) :681-691

[15] Sequence dependent long range hole transport in DNA [J].

Meggers, E ;

Michel-Beyerle, ME ;

Giese, B .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (49) :12950-12955

[16] Effect of guanine stacking on the oxidation of 8-oxoguanine in B-DNA [J].

Prat, F ;

Houk, KN ;

Foote, CS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (04) :845-846

[17] Mapping of the hot spots for DNA damage by one-electron oxidation: Efficacy of GG doublets and GGG triplets as a trap in long-range hole migration [J].

Saito, I ;

Nakamura, T ;

Nakatani, K ;

Yoshioka, Y ;

Yamaguchi, K ;

Sugiyama, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1998, 120 (48) :12686-12687

[18] PHOTOINDUCED DNA CLEAVAGE VIA ELECTRON-TRANSFER - DEMONSTRATION THAT GUANINE RESIDUES LOCATED 5' TO GUANINE ARE THE MOST ELECTRON-DONATING SITES [J].

SAITO, I ;

TAKAYAMA, M ;

SUGIYAMA, H ;

NAKATANI, K .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1995, 117 (23) :6406-6407

[19] Nucleobase-specific quenching of fluorescent dyes .1. Nucleobase one-electron redox potentials and their correlation with static and dynamic quenching efficiencies [J].

Seidel, CAM ;

Schulz, A ;

Sauer, MHM .

JOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (13) :5541-5553

[20] 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