Jeon Chanil, Kim Juin, Jeong Hawoong, Jung Youngkyun, Ha Bae-Yeun
Department of Physics and Astronomy, University of Waterloo, Waterloo, Ontario, Canada N2L 3G1.
Soft Matter. 2015 Nov 7;11(41):8179-93. doi: 10.1039/c5sm01286d.
To what extent does a confined polymer show chromosome-like organization? Using molecular dynamics simulations, we study a model Escherichia coli (E. coli) chromosome: an asymmetrical ring polymer, formed by small monomers on one side and big monomers on the other confined in a concentric-shell or simple cylinder with closed ends. The ring polymer is organized in the way observed for the E. coli chromosome: if the big monomers are assumed to be localized in the inner cylinder, the two "subchains" forming the ring are spontaneously partitioned in a parallel orientation with the "body" (big-monomer) chain linearly organized with a desired precision and the crossing (small-monomer) chain residing preferentially in the peripheral region. Furthermore, we show that the introduction of a "fluctuating boundary" between the two subchains leads to a double-peak distribution of ter-proximate loci, as seen in experiments, which would otherwise remain single-peaked. In a simple cylinder, however, a chromosome-like organization of the ring polymer typically requires an external mechanism such as cell-wall attachment. Finally, our results clarify to what degree the spatial organization of the chromosomes can be accomplished solely by ring asymmetry and anisotropic confinement.
受限聚合物在多大程度上呈现出类似染色体的组织形式?我们通过分子动力学模拟研究了一个大肠杆菌(E. coli)染色体模型:一种不对称的环状聚合物,由一侧的小单体和另一侧的大单体形成,被限制在一个具有封闭端的同心壳或简单圆柱体中。环状聚合物的组织方式与大肠杆菌染色体的观察结果一致:如果假设大单体位于内圆柱体中,形成环的两条“子链”会自发地以平行方向排列,其中“主体”(大单体)链以所需的精度线性组织,而交叉(小单体)链优先位于周边区域。此外,我们表明,在两条子链之间引入“波动边界”会导致三邻位基因座的双峰分布,这与实验中观察到的情况一致,否则其将保持单峰分布。然而,在一个简单的圆柱体中,环状聚合物的类似染色体的组织通常需要外部机制,如细胞壁附着。最后,我们的结果阐明了染色体的空间组织在多大程度上可以仅通过环的不对称性和各向异性限制来实现。