建立扩散聚合物链的三维物理模型。

IF 1.9 3区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY Frontiers in Physics Pub Date : 2023-01-01 DOI:10.3389/fphy.2023.1142004
Andras Karsai, Grace J Cassidy, Aradhya P Rajanala, Lixinhao Yang, Deniz Kerimoglu, James C Gumbart, Harold D Kim, Daniel I Goldman
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摘要

最近的聚合物物理学研究已经创造了宏观尺度的类似物,通过诱导珠子链上的扩散运动来溶化像DNA这样的微观聚合物链。这些珠链具有O(10)链的持续长度,并在振动等随机波动下进行扩散运动。我们提出了一个新的随机强迫系统:颗粒介质的空气流化床中的头链模型。在丝线上卷曲的6毫米球形树脂珠链受到颗粒多相流动和低密度上升空气“气泡”的随机冲击。我们以不同的流化气流速率“加热”不同长度的头链,同时x射线成像捕捉到链在介质中的动力学投影。借助现代3D打印技术,我们可以通过几何变化的头连接及其相对强度来更好地表示复杂聚合物,例如,模仿相邻核苷酸对DNA之间的可变刚度。我们还开发了离散元法(DEM)模拟来研究珠链的三维运动,其中珠链由模拟的球形颗粒表示,这些颗粒由线性和角弹簧状键连接。在实验中,我们发现珠子的速度分布遵循指数分布,而不是聚合物在溶液中的高斯分布。通过使用DEM模拟,我们发现这种差异可能归因于从流化床环境传递到链上的力的分布。我们期望在未来扩展这项研究,以探索更广泛的链组成和约束几何,这将为大型生物聚合物的物理学提供见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

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Toward a 3D physical model of diffusive polymer chains.

Recent studies in polymer physics have created macro-scale analogs to solute microscopic polymer chains like DNA by inducing diffusive motion on a chain of beads. These bead chains have persistence lengths of O(10) links and undergo diffusive motion under random fluctuations like vibration. We present a bead chain model within a new stochastic forcing system: an air fluidizing bed of granular media. A chain of spherical 6 mm resin beads crimped onto silk thread are buffeted randomly by the multiphase flow of grains and low density rising air "bubbles". We "thermalize" bead chains of various lengths at different fluidizing airflow rates, while X-ray imaging captures a projection of the chains' dynamics within the media. With modern 3D printing techniques, we can better represent complex polymers by geometrically varying bead connections and their relative strength, e.g., mimicking the variable stiffness between adjacent nucleotide pairs of DNA. We also develop Discrete Element Method (DEM) simulations to study the 3D motion of the bead chain, where the bead chain is represented by simulated spherical particles connected by linear and angular spring-like bonds. In experiment, we find that the velocity distributions of the beads follow exponential distributions rather than the Gaussian distributions expected from polymers in solution. Through use of the DEM simulation, we find that this difference can likely be attributed to the distributions of the forces imparted onto the chain from the fluidized bed environment. We anticipate expanding this study in the future to explore a wide range of chain composition and confinement geometry, which will provide insights into the physics of large biopolymers.

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来源期刊
Frontiers in Physics
Frontiers in Physics Mathematics-Mathematical Physics
CiteScore
4.50
自引率
6.50%
发文量
1215
审稿时长
12 weeks
期刊介绍: Frontiers in Physics publishes rigorously peer-reviewed research across the entire field, from experimental, to computational and theoretical physics. This multidisciplinary open-access journal is at the forefront of disseminating and communicating scientific knowledge and impactful discoveries to researchers, academics, engineers and the public worldwide.
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