Effect of hydration on electrical conductivity of DNA duplex: Green’s function study combined with DFT
Effect of hydration on electrical conductivity of DNA duplex: Green’s function study combined with DFT
复制标题
水合对 DNA 双链体电导率的影响：格林函数研究结合 DFT
DOI：
10.1016/j.commatsci.2011.09.020
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发表时间：
2012
影响因子：
3.3
通讯作者：
N. Kurita
中科院分区：
文献类型：
--
作者：
Y. Maeda;Akisumi Okamoto;Y. Hoshiba;T. Tsukamoto;Y. Ishikawa;N. Kurita
DNA双链的电导率受DNA碱基序列、DNA双链的水合作用、DNA双链与电极的连接构型、DNA双链结构的热波动等因素的影响。本文采用非平衡格林函数方法结合密度泛函理论，通过分子模拟研究了夹在金电极之间的DNA双链的导电性能。结果表明，电导率与DNA碱基序列和水合作用有关，与实验结果定性一致。目前的结果表明，水合水分子在通过DNA双链的电导率中起重要作用。
The electrical conductivity of DNA duplex is affected by many factors such as DNA base sequence, hydration of DNA duplex, connecting configuration between DNA duplex and electrodes, thermal fluctuation of DNA duplex structure. We here investigate the electrical conducting properties of DNA duplexes sandwiched between Au electrodes by molecular simulations using nonequilibrium Green’s function method coupled with density functional theory. The results reveal the dependence of electrical conductivity on DNA base sequence as well as hydration, which are in qualitative agreement with experiment. The present results indicate the important role played by hydrating water molecules in the electrical conductivity through DNA duplexes.
十聚 DNA 双链体小沟中水合水分子的结构和电子特性的分子动力学/密度泛函综合理论研究。
影响因子：
2.8
作者：
Tsukamoto,Takayuki;Ishikawa,Yasuyuki;Natsume,Takayuki;Dedachi,Kenichi;Kurita,Noriyuki
通讯作者：
Kurita,Noriyuki
影响因子：
14.9
作者：
Kelley, SO;Boon, EM;Hill, MG
通讯作者：
Hill, MG
影响因子：
2.8
作者：
Tsukamoto, Takayuki;Ishikawa, Yasuyuki;Sengoku, Yasuo;Kurita, Noriyuki
通讯作者：
Kurita, Noriyuki