Molecular simulation of the shape deformation of a polymersome

被引：20
作者：
Chakraborty, Kaushik [1 ]
Shinoda, Wataru [2 ]
Loverde, Sharon M. [1 ,3 ,4 ,5 ]
机构：
[1] CUNY Coll Staten Isl, Dept Chem, 2800 Victory Blvd, Staten Isl, NY 10314 USA
[2] Nagoya Univ, Dept Mat Chem, Chikusa Ku, Furo Cho, Nagoya, Aichi 4648603, Japan
[3] CUNY, Grad Ctr, PhD Program Chem, New York, NY 10016 USA
[4] CUNY, Grad Ctr, PhD Program Biochem, New York, NY 10016 USA
[5] CUNY, Grad Ctr, PhD Program Phys, New York, NY 10016 USA
来源：
SOFT MATTER | 2020年 / 16卷 / 13期
基金：
美国国家科学基金会;
关键词：
COMPUTER-SIMULATION; DIBLOCK COPOLYMERS; DYNAMICS; VESICLES; TRANSFORMATION; POLYSTYRENE; ASSEMBLIES; MEMBRANES; MODELS; BLOOD;
D O I：
10.1039/c9sm02165e
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Vesicles composed of diblock copolymers, or polymersomes, have proven to possess numerous applications ranging from drug delivery to catalytically driven nano-motors. The shape of a polymersome can be responsive to external stimuli, such as light or solvent. Molecular dynamics simulations reveal that the shape change upon the contraction of the inner volume of a polymersome vesicle occurs in two separate regimes-a stretching regime and a bending regime. The barrier is shown to be dependent on the solvent environment. These results suggest that tailoring the bending modulus of polymer membranes can be used as a design methodology to engineer new stimuli-responsive vesicles.
引用
收藏
页码：3234 / 3244
页数：11
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