首页> 美国卫生研究院文献>Scientific Reports >Knot Energy Complexity and Mobility of Knotted Polymers
【2h】

Knot Energy Complexity and Mobility of Knotted Polymers

机译:打结聚合物的结能复杂性和流动性

代理获取
本网站仅为用户提供外文OA文献查询和代理获取服务,本网站没有原文。下单后我们将采用程序或人工为您竭诚获取高质量的原文,但由于OA文献来源多样且变更频繁,仍可能出现获取不到、文献不完整或与标题不符等情况,如果获取不到我们将提供退款服务。请知悉。

摘要

The Coulomb energy E C is defined by the energy required to charge a conductive object and scales inversely to the self–capacity C, a basic measure of object size and shape. It is known that C is minimized for a sphere for all objects having the same volume, and that C increases as the symmetry of an object is reduced at fixed volume. Mathematically similar energy functionals have been related to the average knot crossing number 〈m〉, a natural measure of knot complexity and, correspondingly, we find E C to be directly related to 〈m〉 of knotted DNA. To establish this relation, we employ molecular dynamics simulations to generate knotted polymeric configurations having different length and stiffness, and minimum knot crossing number values m for a wide class of knot types relevant to the real DNA. We then compute E C for all these knotted polymers using the program ZENO and find that the average Coulomb energy 〈E C〉 is directly proportional to 〈m〉. Finally, we calculate estimates of the ratio of the hydrodynamic radius, radius of gyration, and the intrinsic viscosity of semi–flexible knotted polymers in comparison to the linear polymeric chains since these ratios should be useful in characterizing knotted polymers experimentally.
机译:库仑能量E C由对导电物体充电所需的能量定义,并且与自电容C成反比,自电容C是物体尺寸和形状的基本度量。众所周知,对于具有相同体积的所有对象,对于一个球体,C都被最小化,并且随着对象的对称性在固定体积下减小,C会增加。数学上类似的能量功能与平均结点交叉数〈m〉有关,这是结复杂度的自然度量,因此,我们发现E C与打结的DNA 〈m〉直接相关。为了建立这种关系,我们采用分子动力学模拟来生成具有不同长度和刚度的打结聚合物构型,以及与实际DNA相关的宽种类结类型的最小结交叉数值m。然后,我们使用ZENO程序计算所有这些打结聚合物的E C,发现平均库仑能量〈E C〉与〈m〉成正比。最后,我们计算了与线性聚合物链相比,半柔性打结聚合物的流体力学半径,回转半径和特性粘度之比的估计值,因为这些比例对于实验表征打结聚合物很有用。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
代理获取

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号