The molecular mechanism of electroporation: Changes in the hydrogen bonds

被引：1
|
作者：
Ji, Ming-hui [1 ]
Xu, Jia-hao [1 ]
Yuan, Sha-sha [1 ]
Liu, Ya-wen [1 ]
Xing, Xin-yi [1 ]
Jiang, Chao [1 ]
Xue, Liang [1 ]
Yang, Chuan-kai [2 ]
Chu, Feng-hong [1 ]
Jiang, You-hua [1 ]
机构：
[1] Shanghai Univ Elect Power, Coll Elect & Informat Engn, Shanghai 200090, Peoples R China
[2] State Grid Shaanxi Elect Power Res Inst, Hangtian Mid RD 669, Xian, Shaanxi, Peoples R China
来源：
COMPUTATIONAL AND THEORETICAL CHEMISTRY | 2022年 / 1207卷
基金：
中国国家自然科学基金;
关键词：
Electroporation; Membrane; Electric field; Molecular dynamics; Quantum chemistry;
D O I：
10.1016/j.comptc.2021.113487
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：
Electroporation has many technological applications in drug delivery and gene transfection. However, the molecular mechanism of electroporation is unknown. Thus, we propose for the first time that hydrogen bonds play a key role during electroporation based on molecular dynamics and quantum chemistry methods. The electric field affects the hydrogen-bonded network in the membrane system, which induces water molecules to pass through the membrane. Our findings reveal the mechanism of electroporation in atomic details and may have a potential application in controlling the permeability of cell membranes.
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页数：6
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