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受限空间中的半柔性链。

Semiflexible chains in confined spaces.

作者信息

Morrison Greg, Thirumalai D

机构信息

Biophysics Program, Institute For Physical Science and Technology, University of Maryland, College Park, Maryland 20742, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Jan;79(1 Pt 1):011924. doi: 10.1103/PhysRevE.79.011924. Epub 2009 Jan 30.

Abstract

We develop an analytical method for studying the properties of a noninteracting wormlike chain (WLC) in confined geometries. The mean-field-like theory replaces the rigid constraints of confinement with average constraints, thus allowing us to develop a tractable method for treating a WLC wrapped on the surface of a sphere, and fully encapsulated within it. The efficacy of the theory is established by reproducing the exact correlation functions for a WLC confined to the surface of a sphere. In addition, the coefficients in the free energy are exactly calculated. We also describe the behavior of a surface-confined chain under external tension that is relevant for single molecule experiments on histone-DNA complexes. The force-extension curves display spatial oscillations, and the extension of the chain, whose maximum value is bounded by the sphere diameter, scales as f(-1) at large forces, in contrast to the unconfined chain that approaches the contour length as f(-1/2). A WLC encapsulated in a sphere, that is relevant for the study of the viral encapsulation of DNA, can also be treated using the mean-field approach. The predictions of the theory for various correlation functions are in excellent agreement with Langevin simulations. We find that strongly confined chains are highly structured by examining the correlations using a local winding axis. The predicted pressure of the system is in excellent agreement with simulations but, as is known, is significantly lower than the pressures seen for DNA packaged in viral capsids.

摘要

我们开发了一种分析方法,用于研究受限几何结构中无相互作用的蠕虫状链(WLC)的性质。类平均场理论用平均约束取代了限制的刚性约束,从而使我们能够开发一种易于处理的方法来处理包裹在球体表面并完全封装在其中的WLC。通过重现限制在球体表面的WLC的精确相关函数,确立了该理论的有效性。此外,还精确计算了自由能中的系数。我们还描述了表面受限链在外部张力下的行为,这与组蛋白-DNA复合物的单分子实验相关。力-伸长曲线显示出空间振荡,并且链的伸长在大作用力下按f(-1) 缩放,其最大值受球体直径限制,这与无限制链在大作用力下趋近轮廓长度时按f(-1/2) 缩放形成对比。封装在球体中的WLC与DNA的病毒封装研究相关,也可以使用平均场方法进行处理。该理论对各种相关函数的预测与朗之万模拟结果非常吻合。通过使用局部缠绕轴检查相关性,我们发现强受限链具有高度的结构。该系统预测的压力与模拟结果非常吻合,但如所知,明显低于病毒衣壳中包装的DNA所观察到的压力。

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