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基于管状[5]轮烷二聚体的高选择性人工水通道的仿生方法。

Biomimetic Approach for Highly Selective Artificial Water Channels Based on Tubular Pillar[5]arene Dimers.

机构信息

Institut Europeen des Membranes, Adaptive Supramolecular Nanosystems Group, University of Montpellier, ENSCM-CNRS, Place E. Bataillon CC047, 34095, Montpellier, France.

Department of Synthetic Chemistry and Biological Chemistry Graduate School of Engineering, Kyoto University, Katsura, Nishikyo-ku, Kyoto, 615-8510, Japan.

出版信息

Angew Chem Int Ed Engl. 2020 Dec 14;59(51):23213-23219. doi: 10.1002/anie.202009219. Epub 2020 Oct 15.

DOI:10.1002/anie.202009219
PMID:32905651
Abstract

Artificial water channels mimicking natural aquaporins (AQPs) can be used for selective and fast transport of water. Here, we quantify the transport performances of peralkyl-carboxylate-pillar[5]arenes dimers in bilayer membranes. They can transport ≈10 water molecules/channel/second, within one order of magnitude of the transport rates of AQPs, rejecting Na and K cations. The dimers have a tubular structure, superposing pillar[5]arene pores of 5 Å diameter with twisted carboxy-phenyl pores of 2.8 Å diameter. This biomimetic platform, with variable pore dimensions within the same structure, offers size restriction reminiscent of natural proteins. It allows water molecules to selectively transit and prevents bigger hydrated cations from passing through the 2.8 Å pore. Molecular simulations prove that dimeric or multimeric honeycomb aggregates are stable in the membrane and form water pathways through the bilayer. Over time, a significant shift of the upper vs. lower layer occurs initiating new unexpected water permeation events through toroidal pores.

摘要

人工水通道模拟天然水通道蛋白 (AQP) 可以用于选择性和快速运输水。在这里,我们定量研究了全氟羧酸 - 柱 [5] 芳烃二聚体在双层膜中的传输性能。它们可以在一个数量级的 AQP 传输速率内,每通道/秒输送 ≈10 个水分子,同时排斥 Na 和 K 阳离子。这些二聚体具有管状结构,将直径为 5 Å 的柱 [5] 芳烃孔与直径为 2.8 Å 的扭曲羧基 - 苯基孔重叠。这种仿生平台在同一结构内具有可变的孔径,提供了类似于天然蛋白质的尺寸限制。它允许水分子选择性地通过,并防止更大的水合阳离子通过 2.8 Å 的孔。分子模拟证明,二聚体或多聚体的蜂窝状聚集体在膜中稳定,并通过双层形成水通道。随着时间的推移,上/下层发生显著的移动,从而通过环形孔引发新的意想不到的水渗透事件。

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