|Title||Polarized Water Wires under Confinement in Chiral Channels|
|Publication Type||Journal Article|
|Year of Publication||2015|
|Authors||Barboiu M, Cazade P-A, Le Duc Y, Legrand Y-M, van der Lee A, Coasne B|
|Journal||The Journal of Physical Chemistry B|
|Pagination||8707 - 8717|
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.
|Short Title||J. Phys. Chem. B|