【Rapid communications】 Applying Amphotericin B–Ergosterol in Forward Osmosis : a simulation study

Abstract

In this study, water–molecule transport properties of an Amphotericin B–Ergosterol (AmBEr) channel were examined on a molecular level via simulation of the forward osmosis (FO) filtration phenomena. FO filtration and doublelayer channel (DLC) AmBEr channel models were constructed via molecular dynamics (MD). MD simulation was adopted to explain the diversity transport mechanism of a novel AmBEr channel, and the channel performance was compared with that of actual AmB channel membranes and a commercial polyamide membrane. AmBEr water channel not only showed more than 100–fold greater permeability than polyamide membrane, but also completely rejected Na+ and Cl– ions during the simulation time of 4.5 ns.