Synthetic ion channels via self-assembly: a route for embedding porous polyoxometalate nanocapsules in lipid bilayer membranes.
Synthetic ion channels via self-assembly: a route for embedding porous polyoxometalate nanocapsules in lipid bilayer membranes.
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DOI：
10.1021/nl802366k
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发表时间：
2008-11
期刊：
影响因子：
10.8
通讯作者：
Aksimentiev A
中科院分区：
文献类型：
--
作者：
Carr R;Weinstock IA;Sivaprasadarao A;Müller A;Aksimentiev A
Keplerate型多孔多金属氧酸盐纳米胶囊被认为具有生物离子通道的功能，然而，它们作为人工离子通道的使用受到胶囊高负电荷的影响，这使得它们不太可能自发地结合到脂质双层膜中。在这封信中，我们报告了粗粒度的分子动力学模拟，证明了通过自组装将带负电荷的纳米胶囊嵌入脂质双分子层膜的途径。观察到水、阳离子洗涤剂和磷脂的均匀混合物在纳米胶囊周围自发自组装成层状脂质体样结构，其中纳米胶囊被一层阳离子洗涤剂和一层磷脂包裹。观察到这种层状脂质体与脂质双分子层膜的融合，将纳米胶囊嵌入脂质双分子层。结果发现，即使在胶囊表面暴露于电解质后，该组装仍保持稳定。在后一种构象中，随着Na+阳离子的进入，水被观察到进出胶囊，这表明多金属氧酸盐纳米胶囊可以在脂质双层膜中形成功能性的合成离子通道。
Porous polyoxometalate nanocapsules of Keplerate type are known to exhibit the functionality of biological ion channels, however, their use as artificial ion channel is tempered by the high negative charge of the capsules, which renders their spontaneous incorporation into a lipid bilayer membrane unlikely. In this letter we report coarse-grained molecular dynamics simulations that demonstrate a route for embedding negatively charged nanocapsules into lipid bilayer membranes via self-assembly. A homogeneous mixture of water, cationic detergent, and phospholipid was observed to spontaneously self-assemble around the nanocapsule into a layered, liposome-like structure, where the nanocapsule was enveloped by a layer of cationic detergent followed by a layer of phospholipid. Fusion of such a layered liposome with a lipid bilayer membrane was observed to embed the nanocapsule into the lipid bilayer. The resulting assembly was found to remain stable even after the surface of the capsule was exposed to electrolyte. In the latter conformation, water was observed to flow into and out of the capsule as Na+ cations entered, suggesting that a polyoxometalate nanocapsule can form a functional synthetic ion channel in a lipid bilayer membrane.
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影响因子：
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