The passage of an ion through a synthetic ion channel

Abstract

The simulated system consisted of a fatty acid bilayer membrane dividing two electrolyte layers each containing ions, and a channel composed of linked 15-crown-5 ether rings. The Na⁺ and F⁻  ions in the aqueous electrolyte layers were too large to enter the channel, but the Li⁺ ions entered and were transported. Conditions that optimised the passive, electric-field-induced transport of Li⁺ ions through the channel were investigated. It was calculated and rationalised that the higher the numerical value of the electrostatic charge on the oxygen atoms of the crown ether rings, the more easily does the channel convey the Li⁺ ions.

Keywords:

• passive transport
• ion migration
• ion channel
• molecular dynamics
• atom charges