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

页码：3234 / 3244

页数：11

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