G-quartet biomolecular nanowires

被引:70
作者
Calzolari, A
Di Felice, R
Molinari, E
Garbesi, A
机构
[1] Univ Modena & Reggio Emilia, INFM, I-41100 Modena, Italy
[2] Univ Modena & Reggio Emilia, Dipartimento Fis, I-41100 Modena, Italy
[3] CNR, ISOF, Area Ric, I-40129 Bologna, Italy
关键词
D O I
10.1063/1.1476700
中图分类号
O59 [应用物理学];
学科分类号
摘要
We present a first-principle investigation of quadruple helix nanowires, consisting of stacked planar hydrogen-bonded guanine tetramers. Our results show that long wires form and are stable in potassium-rich conditions. We present their electronic band structure and discuss the interpretation in terms of effective wide-band-gap semiconductors. The microscopic structural and electronic properties of the guanine quadruple helices make them suitable candidates for molecular nanoelectronics. (C) 2002 American Institute of Physics.
引用
收藏
页码:3331 / 3333
页数:3
相关论文
共 21 条
[1]   DENSITY-FUNCTIONAL EXCHANGE-ENERGY APPROXIMATION WITH CORRECT ASYMPTOTIC-BEHAVIOR [J].
BECKE, AD .
PHYSICAL REVIEW A, 1988, 38 (06) :3098-3100
[2]   Ab initio infrared absorption study of the hydrogen-bond symmetrization in ice [J].
Bernasconi, M ;
Silvestrelli, PL ;
Parrinello, M .
PHYSICAL REVIEW LETTERS, 1998, 81 (06) :1235-1238
[3]   Long-range charge hopping in DNA [J].
Bixon, M ;
Giese, B ;
Wessely, S ;
Langenbacher, T ;
Michel-Beyerle, ME ;
Jortner, J .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1999, 96 (21) :11713-11716
[4]   Density-functional theory calculations for poly-atomic systems: electronic structure, static and elastic properties and ab initio molecular dynamics [J].
Bockstedte, M ;
Kley, A ;
Neugebauer, J ;
Scheffler, M .
COMPUTER PHYSICS COMMUNICATIONS, 1997, 107 (1-3) :187-222
[5]  
CALZOLARI A, 2002, PHYS REV B, V6504, P5104
[6]  
CALZOLARI A, IN PRESS PHYSICA E
[7]  
Dreizler R.M., 1990, Density Functional Theory
[8]   Toward artificial ion channels: A lipophilic G-quadruplex [J].
Forman, SL ;
Fettinger, JC ;
Pieraccini, S ;
Gottareli, G ;
Davis, JT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2000, 122 (17) :4060-4067
[9]  
Gottarelli G, 1998, HELV CHIM ACTA, V81, P2078
[10]  
Gottarelli G., 1996, COMPREHENSIVE SUPRAM, V9