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.

引用

页数：6

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