Domain Formation in Charged Polymer Vesicles
Domain Formation in Charged Polymer Vesicles
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DOI：
10.1021/acs.macromol.1c00762
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发表时间：
2021-10-13
期刊：
影响因子：
5.5
通讯作者：
Loverde, Sharon M.
中科院分区：
文献类型：
--
作者：
Chakraborty, Kaushik;Khatua, Prabir;Loverde, Sharon M.
微相分离可以发生在聚合物膜表面。相行为取决于带电和不带电的两嵌段共聚物的混合物以及溶液中的盐浓度。利用粗粒分子动力学模拟方法，研究了溶液中含有二价反离子时，荷电和非荷电两嵌段共聚物膜的弹性性质与荷电聚合物浓度的关系。我们发现，随着带电共聚物浓度的增加，面弹性模量和弯曲模量都增加。我们发现，随着带电共聚物浓度的增加，膜厚度减小，膜重叠增加。接下来，我们对一个近30纳米的聚合体进行大规模模拟，并在0.5its的模拟时间内表征结构域的增长。我们描述了随着域的增长，域的大小、形状和表面拓扑的特征。这些结果增加了对指导合成细胞和活细胞中结构域增长的潜在机制的洞察。
Microphase separation can occur on a polymersome membrane surface. The phase behavior depends on the mixture of charged and uncharged diblock copolymers and the salt concentration in solution. Using coarse-grained molecular dynamics simulations, we evaluate the elastic properties of mixed charged and uncharged diblock copolymer membranes as a function of charged polymer concentration for the case of divalent counterions in solution. We find that both the area elastic modulus and bending modulus increase with increasing charged copolymer concentration. We find that the membrane thickness decreases and the membrane overlap increases with increasing charged copolymer concentration. We next perform large-scale simulations of a nearly 30 nm polymersome and characterize the growth of domains over a 0.5 its simulation time. We characterize the size, shape, and surface topology of the domains as they grow. These results add insight into the underlying mechanisms guiding the growth of domains in both synthetic and living cells.