Charge transfer through double-strand DNA and its base-mismatched ones: Theoretical analysis based on semiempirical molecular orbital calculations

被引：11

作者：

Natsume, T

Dedachi, K

Tanaka, S

Higuchi, T

Kurita, N ^{[1
]}

机构：

[1] Toyohashi Univ Technol, Dept Knowledge Based Informat Engn, Toyohashi, Aichi 4418580, Japan

[2] Kobe Univ, Grad Sch Sci & Technol, Kobe, Hyogo 6578501, Japan

[3] Mizuho Informat & Res Inst Inc, Tokyo 1018443, Japan

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 408卷 / 4-6期

基金：

日本科学技术振兴机构;

关键词：

D O I：

10.1016/j.cplett.2005.04.041

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：

To elucidate the effect of DNA base-mismatch on the charge transfer through DNA, we investigated stable structures and electronic properties of double-strand DNA and its base-mismatched ones by semiempirical molecular orbital calculations. Based on these electronic properties, we analyzed the charge transfer by using an I-V simulator based on the Landauer formula. The results indicate that the base-pair mismatches (A-C and G-A) affect the electronic properties around the Fermi level, so that the hole conductivity through double strand DNA is significantly reduced by these mismatches. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：381 / 388

页数：8