The second Vassiliev measure of uniform random walks and polygons in confined space

The second Vassiliev measure of uniform random walks and polygons in confined space
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有限空间中均匀随机游走和多边形的第二个 Vassiliev 测度

DOI:
10.1088/1751-8121/ac4abf
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发表时间:
2022
期刊:
Journal of Physics A: Mathematical and Theoretical
影响因子:
--
通讯作者:
Panagiotou, Eleni
Panagiotou, Eleni
中科院分区:
--
文献类型:
--
作者:
Smith, Philip;Panagiotou, Eleni

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生物聚合物,如染色质,通常被限制在小体积内。约束对聚合物构象有很大的影响,包括聚合物纠缠。聚合物链和其他丝状结构可以用三维多边形曲线表示。在这篇文章中,我们研究了多边形链在三维空间和约束中的拓扑复杂性作为它们长度的函数。我们用三维空间中的等边随机漫步和约束空间中的均匀随机漫步来模拟多边形链。对于拓扑表征,我们使用第二瓦西里耶夫测度。这是多边形的整数拓扑不变量和实数上的连续函数,是开多边形链的链坐标的函数。对于受限空间中的urw,我们证明了构型空间中的Vassiliev测度的平均值随着行走或多边形的长度而增大,其值为O (n 2)。我们用数值方法验证了这一结果,我们的数值结果还表明,三维等边随机游动的第二次Vassiliev测度的平均值随着O (n)的增加而增加。这些结果揭示了约束对开曲线结的影响,而不仅仅是纠缠的影响。
Biopolymers, like chromatin, are often confined in small volumes. Confinement has a great effect on polymer conformations, including polymer entanglement. Polymer chains and other filamentous structures can be represented by polygonal curves in three-space. In this manuscript, we examine the topological complexity of polygonal chains in three-space and in confinement as a function of their length. We model polygonal chains by equilateral random walks in three-space and by uniform random walks (URWs) in confinement. For the topological characterization, we use the second Vassiliev measure. This is an integer topological invariant for polygons and a continuous functions over the real numbers, as a function of the chain coordinates for open polygonal chains. For URWs in confined space, we prove that the average value of the Vassiliev measure in the space of configurations increases as O (n 2) with the length of the walks or polygons. We verify this result numerically and our numerical results also show that the mean value of the second Vassiliev measure of equilateral random walks in three-space increases as O (n). These results reveal the rate at which knotting of open curves and not simply entanglement are affected by confinement.
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