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Internal Twisting Motion Dependent Conductance of an Aperiodic DNA Molecule

机译:内周期DNA分子的内部扭转运动依赖性电导

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The influence of internal twisting motion of base-pair on conductance of an aperiodic DNA molecule has been studied. Double-stranded DNA molecule with sequence GCTAGTACGTGACGTAGCTAGGATATGCCTGA on one chain and its complement on the other chain is used. The molecule is modeled using Hamiltonian Tight Binding, in which the effect of twisting motion on base onsite energy and between bases electron hopping constant was taking into account. Semi-empirical theory of Slater-Koster is employed in bringing the twisting motion effect on the hopping constants. In addition to the ability to hop from one base to other base, electron can also hop from a base to sugarphosphate backbone and vice versa. The current flowing through DNA molecule is calculated using Landauer-Büttiker formula from transmission probability, which is calculated using transfer matrix technique and scattering matrix method, simultaneously. Then, the differential conductance is calculated from the I-V curve. The calculation result shows at some region of voltages, the conductance increases as the frequency increases, but in other region it decreases with the frequency.
机译:研究了基对对非周期性DNA分子的电导的内部扭转运动的影响。用序列GCTAGTACGTGACGTAGTAGTGCTGCTGCCTGA的双链DNA分子在一链上及其对另一个链的补体。该分子采用哈密尔顿紧密结合进行建模,其中考虑到碱基底座能量和基础电子跳常数之间的扭曲运动的效果。 Slater-Koster的半实证理论用于为跳跃常数带来扭曲运动效应。除了从一个基础到其他基础的能力之外,电子还可以从碱中跳至甘磷酸骨架,反之亦然。流过DNA分子的电流使用Randauer-Büttiker公式从传输概率计算,其使用传递矩阵技术和散射矩阵法同时计算。然后,从I-V曲线计算差分电导。计算结果在一些电压区域处表示,电导随着频率的增加而增加,但在其他区域中,它随着频率而降低。

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