Polarized Water Wires under Confinement in Chiral Channels

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• 作者：Mihail Barboiu ; Pierre-Andr茅 Cazade ; Yann Le Duc ; Yves-Marie Legrand ; Arie van der Lee ; Benoit Coasne
• 刊名：Journal of Physical Chemistry B
• 出版年：2015
• 出版时间：July 16, 2015
• 年：2015
• 卷：119
• 期：28
• 页码：8707-8717
• 全文大小：642K
• ISSN：1520-5207

文摘

The alignment of water molecules along chiral pores may activate proton/ion conduction along dipolar hydrophilic pathways. Here we show that a simple synthetic 鈥淭-channel鈥?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鈥揹ipole down) of the water molecules with a period of about 4.2 脜 (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鈥揹ehydration 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.