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首页> 外文期刊>Langmuir: The ACS Journal of Surfaces and Colloids >Nanovesicles Versus Nanoparticle-Supported Lipid Bilayers: Massive Differences in Bilayer Structures and in Diffusivities of Lipid Molecules and Nanoconfined Water
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Nanovesicles Versus Nanoparticle-Supported Lipid Bilayers: Massive Differences in Bilayer Structures and in Diffusivities of Lipid Molecules and Nanoconfined Water

机译：纳米粒子与纳米颗粒负载型脂质双层：双层结构和脂质分子和纳米胺水的扩散性含量差异

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摘要

We carry out molecular dynamics (MD) simulations to compare the equilibrium architecture and properties of nanoparticlesupported lipid bilayers (NPSLBLs) with the free vesicles of similar dimensions. Three key differences emerge. First, we witness that for a free vesicle, a much larger number of lipid molecules occupy the outer layer as compared to the inner layer; on the other hand, for the NPSLBL the number of lipid molecules occupying the inner and outer layers is identical. Second, we witness that the diffusivities of the lipid molecules occupying both the inner and the outer layers of the free vesicles are identical, whereas for the NPSLBLs the diffusivity of the lipid molecules in the outer layer is more than twice the diffusivity of the lipid molecules in the inner layer. Finally, the NPSLBLs entrap nanoscopic thin water film between the inner lipid layer and the NP and the diffusivity of this water film is nearly 1 order of magnitude smaller than the diffusivity of the bulk water; on the other hand, the water inside the free vesicles has a diffusivity that is only slightly lower than that of the bulk water. Our findings, possibly the first probing the atomistic details of the NPSLBLs, are anticipated to shed light on the properties of this important nanomaterial with applications in a large number of disciplines ranging from drug and gene delivery to characterizing curvature sensitive molecules.
机译：我们执行分子动力学（MD）模拟，以比较纳米颗粒化脂双层（NPSLBLS）的平衡结构和性质与类似尺寸的自由囊泡。出现了三个关键差异。首先，我们目睹了对于自由囊泡，与内层相比，更大数量的脂质分子占据外层;另一方面，对于NPSLBL，占用内层和外层的脂质分子的数量是相同的。其次，我们见证了占用的自由囊泡的内层和外层的脂质分子的扩散性是相同的，而对于NPSLBLS，外层中脂质分子的扩散性大于脂质分子的扩散性的两倍在内层。最后，NPSLBLS诱捕内脂层和NP之间的纳米镜薄水膜以及该水膜的扩散率比大容量水的扩散率小几个数量级;另一方面，自由囊泡内的水具有仅略低于散装水的漫射率。我们的研究结果可能是第一次探测NPSLBL的原子细节，预计将在大量学科中的应用中的应用脱光，该应用范围从药物和基因递送到表征曲率敏感分子。

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