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Polymers 2016, 8(10), 378; doi:10.3390/polym8100378

Conformation Change, Tension Propagation and Drift-Diffusion Properties of Polyelectrolyte in Nanopore Translocation

1
Department of Engineering and System Science, National Tsing Hua University, Hsinchu 30013, Taiwan
2
Institute of Nuclear Engineering and Science, National Tsing Hua University, Hsinchu 30013, Taiwan
Academic Editor: Martin Kröger
Received: 26 August 2016 / Revised: 15 October 2016 / Accepted: 19 October 2016 / Published: 24 October 2016
(This article belongs to the Special Issue Semiflexible Polymers)
View Full-Text   |   Download PDF [6984 KB, uploaded 24 October 2016]   |  

Abstract

Using Langevin dynamics simulations, conformational, mechanical and dynamical properties of charged polymers threading through a nanopore are investigated. The shape descriptors display different variation behaviors for the cis- and trans-side sub-chains, which reflects a strong cis-trans dynamical asymmetry, especially when the driving field is strong. The calculation of bond stretching shows how the bond tension propagates on the chain backbone, and the chain section straightened by the tension force is determined by the ratio of the direct to the contour distances of the monomer to the pore. With the study of the waiting time function, the threading process is divided into the tension-propagation stage and the tail-retraction stage. At the end, the drift velocity, diffusive property and probability density distribution are explored. Owing to the non-equilibrium nature, translocation is not a simple drift-diffusion process, but exhibits several intermediate behaviors, such as ballistic motion, normal diffusion and super diffusion, before ending with the last, negative-diffusion behavior. View Full-Text
Keywords: polyelectrolyte; translocation; conformation; tension propagation; drift-diffusion; probability density distribution; molecular dynamics simulations polyelectrolyte; translocation; conformation; tension propagation; drift-diffusion; probability density distribution; molecular dynamics simulations
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Hsiao, P.-Y. Conformation Change, Tension Propagation and Drift-Diffusion Properties of Polyelectrolyte in Nanopore Translocation. Polymers 2016, 8, 378.

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