Spontaneous fusion between the vesicles formed by A2n(B2)n type comb-like block copolymers with a semiflexible hydrophobic backbone.
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.
Liu
Ying-Tao
YT
Institute of Theoretical Chemistry, State Key Laboratory of Theoretical and Computational Chemistry, Jilin University, Changchun 130023, China.
Zhao
Ying
Y
Liu
Hong
H
Liu
Yu-Hua
YH
Lu
Zhong-Yuan
ZY
D057927:Hydrophobic and Hydrophilic Interactions; D056004:Molecular Dynamics Simulation; D009010:Monte Carlo Method; D011108:Polymers / Q000737:chemistry*; D013816:Thermodynamics
D011108:Polymers