Chen Wenduo, Kong Xiangxin, Wei Qianqian, Chen Huaiyu, Liu Jiayin, Jiang Dazhi
School of Materials, Sun Yat-sen University, No. 135, Xingang Xi Road, Guangzhou 510275, China.
School of Materials, Shenzhen Campus of Sun Yat-sen University, No. 66, Gongchang Road, Guangming District, Shenzhen 518107, China.
Polymers (Basel). 2021 Nov 30;13(23):4193. doi: 10.3390/polym13234193.
We use Langevin dynamics to study the deformations of linear and ring polymers in different confinements by applying compression and stretching forces on their two sides. Our results show that the compression deformations are the results of an interplay among of polymer rigidity, degree of confinement, and force applied. When the applied force is beyond the threshold required for the buckling transition, the semiflexible chain under the strong confinement firstly buckles; then comes helical deformation. However, under the same force loading, the semiflexible chain under the weaker confinement exhibits buckling instability and shrinks from the folded ends/sides until it becomes three-folded structures. This happens because the strong confinement not only strongly reduces the buckling wavelength, but also increases the critical buckling force threshold. For the weakly confined polymers, in compression process, the flexible linear polymer collapses into condensed states under a small external force, whereas the ring polymer only shows slight shrinkage, due to the excluded volume interactions of two strands in the crowded states. These results are essential for understanding the deformations of the ring biomacromolecules and polymer chains in mechanical compression or driven transport.
我们使用朗之万动力学,通过在其两侧施加压缩力和拉伸力来研究线性和环状聚合物在不同受限条件下的变形。我们的结果表明,压缩变形是聚合物刚性、受限程度和所施加力之间相互作用的结果。当所施加的力超过屈曲转变所需的阈值时,强受限条件下的半柔性链首先发生屈曲;然后出现螺旋变形。然而,在相同的力加载下,较弱受限条件下的半柔性链表现出屈曲不稳定性,并从折叠端/侧收缩,直到形成三重折叠结构。出现这种情况是因为强受限不仅极大地减小了屈曲波长,还提高了临界屈曲力阈值。对于弱受限聚合物,在压缩过程中,柔性线性聚合物在小外力作用下坍缩成凝聚态,而环状聚合物由于在拥挤状态下两条链的体积排除相互作用,仅表现出轻微收缩。这些结果对于理解环状生物大分子和聚合物链在机械压缩或驱动输运中的变形至关重要。