Issue 44, 2020

Influences of electric fields on the operation of Aqy1 aquaporin channels: a molecular dynamics study

Abstract

The dynamics of water molecules inside an Aquaporin channel, embedded within a stochastically fluctuating membrane, was modeled by means of the application of the molecular dynamics (MD) simulation method. We considered the effect of the existence and nonexistence of an external electric field, either constant or oscillating, on the stability of the channel. It was observed that the permeation of water molecules through the channel was increased when the channel was exposed to a constant electric field of strength −0.2 mV nm−1. Moreover, oscillating electric fields of 5 and 10 GHz frequencies, which is the range of field frequency generally present in our daily life, were applied to the channel, showing not significant effects on the stability of the channel and its important parts. In addition, we investigated the influence of the application of electric fields on the water molecule ordinations in the channels, and the results showed that the water molecule orientations were changed in response to the applied field.

Graphical abstract: Influences of electric fields on the operation of Aqy1 aquaporin channels: a molecular dynamics study

Supplementary files

Article information

Article type
Paper
Submitted
09 Sep 2020
Accepted
19 Oct 2020
First published
20 Oct 2020

Phys. Chem. Chem. Phys., 2020,22, 25859-25868

Influences of electric fields on the operation of Aqy1 aquaporin channels: a molecular dynamics study

Z. Rahimi and A. Lohrasebi, Phys. Chem. Chem. Phys., 2020, 22, 25859 DOI: 10.1039/D0CP04763E

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