Published in

Elsevier, Computational Materials Science, (111), p. 380-386, 2016

DOI: 10.1016/j.commatsci.2015.09.044

Links

Tools

Export citation

Search in Google Scholar

Selectivity against proton in cation permeable hybrid solid state membrane

This paper is available in a repository.
This paper is available in a repository.

Full text: Download

Green circle
Preprint: archiving allowed
Orange circle
Postprint: archiving restricted
Red circle
Published version: archiving forbidden
Data provided by SHERPA/RoMEO

Abstract

Theoretical investigations based principally on Monte Carlo calculations were conducted to interpret the hindered mobility of protons which was experimentally observed in a hybrid biological/artificial nanopore constituted of the ion bio-channel gramicidin A confined inside an artificial solid-state nanopore. We show that this experimental outcome may result from the high concentration of gramicidin A that progressively diminishes the transfer of proton from one side to the other of the nanopore. More, using molecular dynamic simulations data we demonstrate that the water molecules are repelled from the gramicidin structure outside the nanopore, leading to a strong decrease of the proton transfer.