Self-assembled anion channel formation by bis(1,3-propanediol)-linked meta-dipropynylbenzene-based small molecules

Abstract

Two self-assembled barrel-rosette ion channels have been developed using bis(1,3-propanediol)-linked m-dipropynylbenzene-based molecules. The system with an additional amide arm acted as a better channel compared to that having an ester arm. The amide-linked channel displayed substantial channel activity and excellent chloride selectivity in the lipid bilayer membranes. Molecular dynamics simulation studies confirmed efficient hydrogen-bonded self-assembly of the amide-linked bis(1,3-propanediol)-based molecules in the lipid bilayer membrane and the detection of chloride recognition in the cavity.