Literature DB >> 20160924

A combined DFT/Green's function study on electrical conductivity through DNA duplex between Au electrodes.

Takayuki Tsukamoto1, Yasuyuki Ishikawa, Yasuo Sengoku, Noriyuki Kurita.   

Abstract

Electrical conducting properties of DNA duplexes sandwiched between Au electrodes have been investigated by use of first-principles molecular simulation based on DFT and Green's function to elucidate the origin of their base sequence dependence. The theoretically simulated effects of DNA base sequence on the electrical conducting properties are in qualitative agreement with experiment. The HOMOs localized on Guanine bases have the major contribution to the electrical conductivity through DNA duplexes.

Entities:  

Year:  2009        PMID： 20160924      PMCID： PMC2761638          DOI： 10.1016/j.cplett.2009.04.071

Source DB:  PubMed          Journal:  Chem Phys Lett        ISSN： 0009-2614            Impact factor:   2.328


  23 in total

1.  Single-base mismatch detection based on charge transduction through DNA.

Authors:  S O Kelley; E M Boon; J K Barton; N M Jackson; M G Hill
Journal:  Nucleic Acids Res       Date:  1999-12-15       Impact factor: 16.971

2.  Sequence dependent DNA-mediated conduction.

Authors:  Stephan Roche
Journal:  Phys Rev Lett       Date:  2003-09-03       Impact factor: 9.161

3.  Conformation and local environment dependent conductance of DNA molecules.

Authors:  M S Xu; R G Endres; S Tsukamoto; M Kitamura; S Ishida; Y Arakawa
Journal:  Small       Date:  2005-12       Impact factor: 13.281

4.  Long-range correlation and charge transfer efficiency in substitutional sequences of DNA molecules.

Authors:  Ai-Min Guo
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2007-06-29

5.  What governs the charge transfer in DNA? The role of DNA conformation and environment.

Authors:  Tomás Kubar; Marcus Elstner
Journal:  J Phys Chem B       Date:  2008-06-27       Impact factor: 2.991

6.  Design and self-assembly of two-dimensional DNA crystals.

Authors:  E Winfree; F Liu; L A Wenzler; N C Seeman
Journal:  Nature       Date:  1998-08-06       Impact factor: 49.962

7.  Generalized many-channel conductance formula with application to small rings.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1985-05-15

8.  Self-consistent order-N density-functional calculations for very large systems.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1996-04-15

9.  Green's function formalism coupled with Gaussian broadening of discrete states for quantum transport: application to atomic and molecular wires.

Authors:  Tomofumi Tada; Masakazu Kondo; Kazunari Yoshizawa
Journal:  J Chem Phys       Date:  2004-10-22       Impact factor: 3.488

10.  A combined molecular dynamics/density-functional theoretical study on the structure and electronic properties of hydrating water molecules in the minor groove of decameric DNA duplex.

Authors:  Takayuki Tsukamoto; Yasuyuki Ishikawa; Takayuki Natsume; Kenichi Dedachi; Noriyuki Kurita
Journal:  Chem Phys Lett       Date:  2007-06-01       Impact factor: 2.328
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  1 in total

1.  DNA/RNA transverse current sequencing: intrinsic structural noise from neighboring bases.

Authors:  Jose R Alvarez; Dmitry Skachkov; Steven E Massey; Alan Kalitsov; Julian P Velev
Journal:  Front Genet       Date:  2015-06-19       Impact factor: 4.599
  1 in total

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