Molecular characteristics of salty ions in phospholipid bilayer under electric field

Abstract

The diffusion of salty ions has a great impact on the motor ability of muscle, and revealing the diffusion properties of ions with different concentrations in phospholipid bilayer under electric field is of great significance to the study of ion loss on the skin. In this paper, the diffusion properties of charged ions under electric field are studied by molecular dynamics (MD) simulations. Mean square displacement (MSD) was studied to reveal the displacement of ions in phospholipid bilayer. In addition, the relative concentration is also utilized to reveal the local concentration of ions in the direction of the electric field. The data shows that the negatively charged ions (Cl[Formula: see text], HCO3 HCO[Formula: see text], SO[Formula: see text] have much stronger diffusion capacity, compared to the positive charged ions (Na[Formula: see text], K[Formula: see text], Mg[Formula: see text] in the simulation systems. Furthermore, the diffusion property of ions becomes stronger with the increase of ion concentration.