@article {178, title = {Polarized Water Wires under Confinement in Chiral Channels}, journal = {The Journal of Physical Chemistry B}, volume = {119}, year = {2015}, month = {Jul-16-2015}, pages = {8707 - 8717}, abstract = {
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.

}, issn = {1520-6106}, doi = {10.1021/acs.jpcb.5b03322}, author = {Barboiu, Mihail and Pierre-Andre Cazade and Le Duc, Yann and Yves-Marie Legrand and Arie Van Der Lee and Benoit A. Coasne} }