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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