The Role of Noise in Determining Selective Ionic Conduction Through Nano-Pores
The Role of Noise in Determining Selective Ionic Conduction Through Nano-Pores
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DOI：
10.1109/nmdc.2018.8605825
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发表时间：
2018-10
期刊：
影响因子：
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通讯作者：
W. Gibby;M. Barabash;C. Guardiani;D. Luchinsky;P. McClintock
中科院分区：
文献类型：
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作者：
W. Gibby;M. Barabash;C. Guardiani;D. Luchinsky;P. McClintock
解决了根据生物和纳米技术系统中的结构预测离子通过纳米孔的选择性传输的问题。我们使用分子动力学模拟来深入了解纳米孔的关键物理参数，并开发出一种自洽的分析理论来描述通过这些设备的离子传导和选择性。我们分析了离子的脱水和过量化学势，推导了纳米孔电导率的表达式，并强调了波动对其性能的作用。通过将预测的电流-电压特性与石墨烯纳米孔和 KcsA 生物通道的分子动力学结果和实验数据进行比较，验证了该理论。
The problem of predicting selective transport of ions through nano-pores from their structure in the biological and nano-technological systems is addressed. We use a molecular dynamics simulation to provide insight into the key physical parameters of nano-pores and develop a self-consistent analytic theory describing ionic conduction and selectivity through these devices. We analyse the ion's dehydration and excess chemical potential, derive an expression for the conductivity of the nano-pore, and emphasize the role of fluctuations in its performance. The theory is verified by comparison of the predicted current-voltage characteristics with the molecular dynamics results and experimental data obtained for a graphene nano-pore and the KcsA biological channel.