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中性纳米粒子通过纳米孔的离子电流轨迹的布朗动力学模拟。

Brownian dynamics simulations of the ionic current traces for a neutral nanoparticle translocating through a nanopore.

机构信息

Department of Physics, Clarkson University, Potsdam, NY 13699, United States of America.

出版信息

Nanotechnology. 2018 Nov 2;29(44):445204. doi: 10.1088/1361-6528/aada64. Epub 2018 Aug 15.

Abstract

In this work, the ionic current blockades due to the translocation of a neutral spherical nanoparticle through a nanopore in a solid state membrane are computed. We use a Brownian dynamics approach, in conjunction with a full three-dimensional self-consistent solution of the Poisson-Nernst-Planck and Navier-Stockes system of equations to describe realistic ionic current response arising due to the random motion of a nanoparticle through a nanopore. We find that in addition to the usual geometric blockade, the variations of the current along the axis of the pore are largely caused by a concentration polarization induced by the presence of the translocating nanoparticle in the nanopore while the current changes in the radial (perpendicular to the axis) direction occur because of the local build up of the ionic charge between the particle and the nanopore surface. By performing statistical analysis of the current traces, we also observe that, in general, smaller current blockade values correspond to faster translocation times, while increased dwell times result in a larger current decrease.

摘要

在这项工作中,计算了中性球形纳米粒子通过固体膜纳米孔迁移时的离子电流阻塞。我们使用布朗动力学方法,结合泊松-纳维-斯托克斯方程和纳维-斯托克斯方程的全三维自洽解,来描述由于纳米粒子在纳米孔中的随机运动而产生的真实离子电流响应。我们发现,除了通常的几何阻塞外,电流沿着孔轴的变化主要是由纳米孔中迁移纳米粒子引起的浓度极化引起的,而径向(垂直于轴)方向的电流变化则是由于粒子和纳米孔表面之间的局部离子电荷积聚引起的。通过对电流轨迹进行统计分析,我们还观察到,一般来说,较小的电流阻塞值对应于更快的迁移时间,而增加的停留时间会导致更大的电流下降。

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