TY - JOUR T1 - Polarized Water Wires under Confinement in Chiral Channels JF - The Journal of Physical Chemistry B Y1 - 2015 A1 - Barboiu, Mihail A1 - Pierre-Andre Cazade A1 - Le Duc, Yann A1 - Yves-Marie Legrand A1 - Arie Van Der Lee A1 - Benoit A. Coasne AB -
Abstract Image

The alignment of water molecules along chiral pores may activate proton/ion conduction along dipolar hydrophilic pathways. Here we show that a simple synthetic “T-channel” forms a directional pore with its carbonyl moieties solvated by chiral helical water wires. Atom-scale simulations and experimental crystallographic assays reveal a dynamical structure of water and electrolyte solutions (alkali metal chlorides) confined in these organic T-channels. Oscillations in the dipole orientation, which correspond to alternative ordering (dipole up–dipole down) of the water molecules with a period of about 4.2 Å (imposed by the distance between two successive carbonyl groups) are observed. When ions are added to the system, despite the strong Coulombic water/ion interaction, confined water remains significantly ordered in the T-channel and still exhibits surface-induced polarization. Cation permeation can be achieved through alternated hydration–dehydration occurring along strongly oriented water wires. The T-channel, which exhibits chirality with strong water orientation, provides an opportunity to unravel novel water-channel systems that share many interesting properties of biomolecular systems.

VL - 119 IS - 28 JO - J. Phys. Chem. B ER -