Driven translocation of a semi-flexible polymer through a nanopore.

Driven translocation of a semi-flexible polymer through a nanopore.
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DOI:
10.1038/s41598-017-07227-3
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发表时间:
2017-08-07
期刊:
影响因子:
4.6
通讯作者:
Wanunu M
Wanunu M
中科院分区:
综合性期刊3区
文献类型:
--
作者:
Sarabadani J;Ikonen T;Mökkönen H;Ala-Nissila T;Carson S;Wanunu M

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我们通过修改版的等通量张力传播理论和广泛的分子动力学(MD)模拟来研究半柔性聚合物通过纳米孔的驱动易位。我们表明,与完全柔性链相比,对于具有有限持久长度的半柔性聚合物,必须明确考虑横向摩擦才能正确描述易位过程。此外,必须知道作为链长度N的函数的端到端距离R N 的比例。为此,我们首先推导出 R N 的半解析标度形式,它在适当的极限内再现了杆、理想链和排除体积链的极限。然后,我们基于 MD 模拟定量表征横向摩擦的性质。结合这两个因素,该理论表明平均易位时间 τ ∝ N α 的缩放存在三种主要机制。在杆 、高斯和排除体积链  ≫ 10 6 极限中,分别为 α = 2、3/2 和 1 + ν,其中 ν 是 Fl​​ory 指数。我们的结果与可用的模拟和实验数据非常吻合。
We study the driven translocation of a semi-flexible polymer through a nanopore by means of a modified version of the iso-flux tension propagation theory, and extensive molecular dynamics (MD) simulations. We show that in contrast to fully flexible chains, for semi-flexible polymers with a finite persistence length the trans side friction must be explicitly taken into account to properly describe the translocation process. In addition, the scaling of the end-to-end distance R N as a function of the chain length N must be known. To this end, we first derive a semi-analytic scaling form for R N, which reproduces the limits of a rod, an ideal chain, and an excluded volume chain in the appropriate limits. We then quantitatively characterize the nature of the trans side friction based on MD simulations. Augmented with these two factors, the theory shows that there are three main regimes for the scaling of the average translocation time τ ∝ N α. In the rod , Gaussian and excluded volume chain  ≫ 10 6 limits, α = 2, 3/2 and 1 + ν, respectively, where ν is the Flory exponent. Our results are in good agreement with available simulations and experimental data.
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