Interaction of Macromolecular Chain with Phospholipid Membranes in Solutions: A Dissipative Particle Dynamics Simulation Study

被引:0
作者
Wang, Yuane [1 ]
Mou, Xuankang [1 ]
Ji, Yongyun [1 ]
Pan, Fan [2 ]
Li, Shiben [1 ]
机构
[1] Wenzhou Univ, Dept Phys, Wenzhou 325035, Peoples R China
[2] Wenzhou Univ Technol, Sch Data Sci & Artificial Intelligence, Wenzhou 325035, Peoples R China
基金
中国国家自然科学基金;
关键词
macromolecular chain; phospholipid membrane; pulling force; dynamic process; PEO TRIBLOCK COPOLYMERS; LIPID-BILAYERS; ELECTRIC-FIELDS; MODEL; SIZE; MICROSTRUCTURES; ORIENTATION; CONSTANT; MICELLES; DIBLOCK;
D O I
10.3390/molecules28155790
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
The interaction between macromolecular chains and phospholipid membranes in aqueous solution was investigated using dissipative particle dynamics simulations. Two cases were considered, one in which the macromolecular chains were pulled along parallel to the membrane surfaces and another in which they were pulled vertical to the membrane surfaces. Several parameters, including the radius of gyration, shape factor, particle number, and order parameter, were used to investigate the interaction mechanisms during the dynamics processes by adjusting the pulling force strength of the chains. In both cases, the results showed that the macromolecular chains undergo conformational transitions from a coiled to a rod-like structure. Furthermore, the simulations revealed that the membranes can be damaged and repaired during the dynamic processes. The role of the pulling forces and the adsorption interactions between the chains and membranes differed in the parallel and perpendicular pulling cases. These findings contribute to our understanding of the interaction mechanisms between macromolecules and membranes, and they may have potential applications in biology and medicine.
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页数:22
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