Department of Physics, Soochow University, 1 Shizi Street, Suzhou 215006, People's Republic of China.
Nanotechnology. 2010 Dec 3;21(48):485101. doi: 10.1088/0957-4484/21/48/485101. Epub 2010 Nov 4.
The effect of mispairs on charge transport in DNA of sequence (GC)(TA)(N)(GC)(3) connected to platinum electrodes is studied using the tight-binding model. With parameters derived from an ab initio density functional result, we calculate the current versus bias voltage for DNA with and without a mispair and for different numbers of (TA) basepairs N between the single and triple (GC) basepairs. The current decays exponentially with N under low bias but reaches a minimum under high bias when a multichannel transport mechanism is established. A (GA) mispair substituting a (TA) basepair near the middle of the (TA)(N) sequence usually enhances the current by one order due to its low ionization energy but may decrease the current significantly when an established multichannel mechanism is broken.
使用紧束缚模型研究了序列(GC)(TA)(N)(GC)(3)连接到铂电极的 DNA 中错配对电荷输运的影响。根据从头算密度泛函的结果得出参数,我们计算了有和没有错配以及在单(GC)碱基对和三(GC)碱基对之间不同(TA)碱基对个数 N 的 DNA 的电流与偏压的关系。在低偏压下,电流随 N 呈指数衰减,但在建立多通道输运机制时,在高偏压下达到最小值。在(TA)(N)序列中间附近取代(TA)碱基对的(GA)错配通常由于其低电离能而将电流增强一个数量级,但当建立的多通道机制被破坏时,电流可能会显著降低。