Steady-State and Transient Behavior of Knotted Chains in Extensional Fields,ACS Macro Letters

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Steady-State and Transient Behavior of Knotted Chains in Extensional Fields
ACS Macro Letters ( IF 5.1 ) Pub Date : 2017-11-02 00:00:00 , DOI: 10.1021/acsmacrolett.7b00600
Vivek Narsimhan ₁ , Alexander R Klotz ₂ , Patrick S Doyle ₂

Affiliation

Recently, there has been a push to understand how molecular topology alters the nonequilibrium dynamics of polymer systems. In this paper, we probe how knotted polymers evolve in planar extensional fields using Brownian dynamics simulations and single-molecule experiments. In the first part of the study, we quantify the extension versus strain-rate curves of polymers and find that knots shift these curves to larger strain-rates. These trends can be quantitatively explained by Rouse-like scaling theories. In the second half of the study, we examine the consequences of knot untying on the time-dependent conformations of polymers in these external fields. We find that knot untying creates significant, transient changes in chain extension. If the topology is complex, the chain undergoes a wide range of time-dependent conformations since knot untying proceeds through many different stages. We provide examples of such untying trajectories over time.

中文翻译：

伸展场中打结链的稳态和瞬态行为

最近，人们一直在推动了解分子拓扑结构如何改变聚合物系统的非平衡动力学。在本文中，我们使用布朗动力学模拟和单分子实验探讨了打结聚合物如何在平面拉伸场中演化。在研究的第一部分，我们量化了聚合物的延伸与应变率曲线，并发现结将这些曲线移动到更大的应变率。这些趋势可以用 Rouse 式标度理论来定量解释。在研究的后半部分，我们研究了在这些外部场中解开结对聚合物的时间依赖性构象的影响。我们发现解开结会在链延伸中产生显着的、短暂的变化。如果拓扑复杂，由于解开结会经历许多不同的阶段，因此链条经历了广泛的时间依赖性构象。我们提供了随着时间的推移这种解开轨迹的例子。

更新日期：2017-11-02

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