Biomimetic approach for highly selective artificial water channels based on tubular Pillar[5]Arene dimers.,Angewandte Chemie International Edition

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Biomimetic approach for highly selective artificial water channels based on tubular Pillar[5]Arene dimers.
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2020-09-09 , DOI: 10.1002/anie.202009219
Dmytro Strilets ₁ , Shixin Fa ₂ , Arthur Hardiagon _{3,

4} , Marc Baaden _{3,

4} , Tomoki Ogoshi _{2,

5} , Mihail Barboiu ₁

Affiliation

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 ≈10⁷ 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.

中文翻译：

基于管状Pillar [5] Arene二聚体的高选择性人工水通道仿生方法。

模仿天然水通道蛋白（AQP）的人工水道可用于选择性和快速地运输水。在这里，我们量化了双层膜中过烷基羧酸盐柱状[5]芳烃二聚体的运输性能。它们可以在AQP传输速率的一个数量级内传输≈107^个水分子/通道/秒，从而拒绝Na ⁺和K ⁺阳离子。二聚体具有管状结构，重叠了直径为5Å的柱[5]芳烃孔和直径为2.8Å的扭曲羧基-苯基孔。这种仿生平台在相同结构内具有可变的孔径，可提供类似天然蛋白质的尺寸限制。它允许水分子选择性迁移，并防止较大的水合阳离子通过2.8Å孔。分子模拟证明，二聚体或多聚体蜂窝状聚集体在膜中稳定并形成通过双层的水通道。随着时间的流逝，上层和下层发生了明显的变化，从而引发了新的意外的水通过环形孔渗入的事件。

更新日期：2020-09-09

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