Xie Yinghong, Kong Yong, Soh A K, Gao Huajian
Department of Mechanical Engineering, The University of Hong Kong, Hong Kong.
J Chem Phys. 2007 Dec 14;127(22):225101. doi: 10.1063/1.2799989.
Molecular dynamics simulations based on a novel polarizable nanotube model were performed to study the dynamics in translocation of a single-stranded deoxyribonucleic acid oligonucleotide through a polarized carbon nanotube membrane by an applied electric field. The study revealed a nonlinear dependence of translocation velocity and an inverse quadratic dependence of translocation time on the electric field strength, as well as a threshold electric field below which the translocation process becomes impossible. The translocation rate was found to be pore-size dependent. The polarizable nanotube model developed for this study provides a useful platform for investigating the dynamics of a range of bionanosystems.
基于一种新型可极化纳米管模型进行了分子动力学模拟,以研究单链脱氧核糖核酸寡核苷酸在施加电场作用下通过极化碳纳米管膜的转位动力学。该研究揭示了转位速度与电场强度呈非线性关系,转位时间与电场强度呈反平方关系,以及存在一个阈值电场,低于该阈值转位过程无法发生。还发现转位速率与孔径有关。为本研究开发的可极化纳米管模型为研究一系列生物纳米系统的动力学提供了一个有用的平台。