通过生物分子拥挤实现异质聚合物的压实和聚类。

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL Journal of Chemical Physics Pub Date : 2024-11-14 DOI:10.1063/5.0226892
Amir Sadeghi, Changbong Hyeon, Youngkyun Jung, Bae-Yeun Ha
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引用次数: 0

摘要

受细菌染色体组织的启发,我们利用分子动力学模拟研究了拥挤介质中异质环状聚合物的压实和聚类。这种聚合物由沿主干穿插的几个大单体和中间的小单体组成。在拥挤介质中,拥挤粒子或拥挤者的熵有利于染色体等链状分子的坍缩。我们的研究表明,拥挤粒子对异质聚合物的压实转变与大单体的聚集密切相关:当大单体足够大时,两者在拥挤粒子体积分数的同一狭窄(生物相关)范围内同时发生。这也表明,圆柱形约束使挤满效应更加有效。本文介绍的结果表明,相分离和聚集是细菌染色体组织的基本特征。
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Compaction and clustering of a heterogeneous polymer by biomolecular crowding.

Inspired by bacterial chromosome organization, we study the compaction and clustering of a heterogeneous ring polymer in a crowded medium using molecular dynamics simulations. The polymer consists of several large monomers interspersed along the backbone and small intervening monomers. In a crowded medium, the entropy of crowding particles or crowders favors the collapse of chain molecules, such as chromosomes. Our study shows that the compaction transition of heterogeneous polymers by crowders is well-correlated with the clustering of large monomers: when the large monomers are sufficiently large, both occur concomitantly in the same narrow (biologically relevant) range of the volume fraction of crowders. It also indicates that cylindrical confinement makes crowding effects more effective. The results presented here suggest that phase separation and clustering are essential features of bacterial chromosome organization.

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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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