화학공학소재연구정보센터
Chemical Physics Letters, Vol.651, 39-45, 2016
Mechanism resulting in chemical imbalance due to cellular damage associated with mechanoporation: A molecular dynamics study
To elucidate the mechanism of ion transport through a transmembrane pore, all-atom molecular dynamics simulations were employed. A model membrane where a pore connects the intra- and extra-cellular compartment was considered. Pores with radii of 1.5 nm or less exhibited resealing over the course of 135 ns simulations, and ionic disturbance is minimal. Ion transport through a larger pore (2 nm radius) leads to a substantial change in the intra- and extra-cellular ionic concentrations. The influx of Na+ and Cl- ions down their concentration gradients is greater than the efflux of K+ leading to an osmotic influx of water. (C) 2016 Elsevier B.V. All rights reserved.