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纳米封闭中的电解质流:固态和蛋白质纳米孔

Minglun Li¹, Murugappan Muthukumar¹

¹Department of Polymer Science and Engineering, University of Massachusetts, Amherst, Massachusetts 01003, USA.

The Journal of chemical physics

|February 27, 2024

概括

纳米孔中的电透流 (EOF) 影响分子速度. 这项研究揭示了EOF.

科学领域:

物理物理学物理
生物物理学的生物物理.
物理化学物理化学

背景情况:

电透流 (EOF) 在电场下的纳米孔中驱动流体运动.
由于复杂的水力动力学和静电相互作用,它在单分子电泳中通过纳米孔的确切作用尚不清楚.
了解EOF对于控制分析物转位速度至关重要.

研究的目的:

通过各种纳米孔来研究电解氧流在分析物转移中的基本作用.
分析孔径几何,表面电荷和应用电场如何影响EOF和转位动态.
在单分子分析中阐明毛孔特征和EOF行为之间的关系.

主要方法:

使用了Poisson-Nernst-Planck和Navier-Stokes (PNP-NS) 合方程.使用了Poisson-Nernst-Planck和Navier-Stokes (PNP-NS) 合方程.
模拟的圆柱状固态纳米孔和三个蛋白质纳米孔 (α-hemolysin,MspA,CsgG).
模拟的流体速度概况作为孔状性质和电场强度的函数.

主要成果:

蛋白质纳米孔的表面电荷不同于它们的净电荷;内部表面电荷与表面电荷相关.
流体速度表现出对应用于电压的非单调依赖.
每个蛋白质纳米孔显示独特的EOF和速度-电压关系,不仅仅由净电荷决定.
点突变可以显著改变EOF的方向和大小.

结论:

EOF是通过纳米孔进行宏分子运输的关键因素,对孔特性有复杂的依赖.
纳米孔设计,包括电荷分布和几何,可以调整以控制EOF和分析转位速度.
这种计算分析为设计用于分子分析和分离的先进纳米孔系统提供了洞察力.

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