Spontaneous Fusion between the Vesicles Formed by A2n(B2)n Type Comb-Like Block Copolymers with a Semiflexible Hydrophobic Backbone
Spontaneous Fusion between the Vesicles Formed by A2n(B2)n Type Comb-Like Block Copolymers with a Semiflexible Hydrophobic Backbone
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DOI：
10.1021/jp903570w
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发表时间：
2009-11-19
影响因子：
3.3
通讯作者：
Lu, Zhong-Yuan
中科院分区：
文献类型：
--
作者：
Liu, Ying-Tao;Zhao, Ying;Lu, Zhong-Yuan
用耗散粒子动力学（DPD）方法研究了具有半柔性疏水主链的梳状嵌段共聚物A（2n）（B-2）（n）（n = 2-10）的自发囊泡形成和融合过程.通过系统地改变溶剂条件，我们构建了一个相图来指示囊泡的结晶稳定区域。研究了囊泡之间的自发融合，其机理是囊泡之间先形成柄，然后在柄脚附近的两个囊泡中出现孔洞，最后柄弯曲绕过孔洞，完成融合过程。这种融合途径与蒙特卡罗模拟和动态自洽场理论中观察到的相似，但与粗粒分子动力学和DPD模拟中报道的不同。造成这种差异的主要原因可能是由于不同模拟技术所使用的分子结构不同。
The spontaneous vesicle formation and fusion of A(2n)(B-2)(n) (n = 2-10) type comb-like block copolymers with semiflexible hydrophobic backbone are studied via dissipative particle dynamics (DPD) simulations. By systemically varying the solvent condition, we construct a phase diagram to indicate the thermodynamically stable region for vesicles. The spontaneous fusion between the vesicles is studied, whose mechanism is as follows: first, a stalk is formed between the vesicles; then, the holes appear in both vesicles near the feet of the stalk; finally, the stalk bends to circle the holes and the fusion process is completed. This fusion pathway is similar to that observed in Monte Carlo simulations and dynamic self-consistent filed theory but different from those reported in coarse-grained molecular dynamics and DPD simulations. The main reason for the difference may be attributed to the molecular structures used in different simulation techniques.