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Polarized Water Wires under Confinement in Chiral Channels

TitlePolarized Water Wires under Confinement in Chiral Channels
Publication TypeJournal Article
Year of Publication2015
AuthorsBarboiu M, Cazade P-A, Le Duc Y, Legrand Y-M, Van Der Lee A, Coasne BA
JournalThe Journal of Physical Chemistry B
Volume119
Issue28
Pagination8707 - 8717
Date PublishedJul-16-2015
ISSN1520-6106
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.

DOI10.1021/acs.jpcb.5b03322
Short TitleJ. Phys. Chem. B
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