Designing Nanoparticle Translocation through Membranes by Computer Simulations
Designing Nanoparticle Translocation through Membranes by Computer Simulations
复制标题
通过计算机模拟设计纳米粒子通过膜的易位
DOI：
10.1021/nn2038862
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发表时间：
2012-02-01
期刊：
影响因子：
17.1
通讯作者：
Ma, Yu-qiang
中科院分区：
文献类型：
--
作者：
Ding, Hong-ming;Tian, Wen-de;Ma, Yu-qiang
纳米粒子穿透细胞是药物/基因传递的重要过程。在这里，我们成功地设计了一种新型的纳米粒子与配体装饰其表面的动态键，并发现纳米粒子可以自发地通过使用耗散粒子动力学模拟渗透膜。此外，配体（例如，配体类型和密度）和纳米颗粒（如大小和形状）的物理参数对渗透效率和易位时间有显着的影响。特别是对于具有各向异性形状或非对称表面装饰的纳米颗粒，渗透效率可以达到约80%。我们还提供了纳米粒子和不对称膜之间的相互作用的见解，并发现膜的不对称性甚至可以提高渗透效率到90%以上。本研究提出了一种通过膜转运新型纳米颗粒的潜在方法，这可能为未来的实验性纳米颗粒设计和药物递送提供新的思路。
Nanopanicle penetration into cells is an important process In drug/gene delivery. Here, we successfully design one type of novel nanoparticles with ligands decorating its surface by dynamic bonds and find that the nanoparticle can spontaneously penetrate through membranes by using dissipative particle dynamics simulations. Moreover, the physical parameters of both ligands (for example, ligand type and density) and nanoparticles (such as size and shape) have significant effects on penetration efficiency and translocation time. Especially for nanoparticles with anisotropic shapes or asymmetric surface decoration, the penetration efficiency may reach about 80%. We also provide insights into the interaction between nanoparticles and asymmetric membranes and find that the membrane asymmetry can even increase the penetration efficiency to above 90%. The present study suggests a potential way to translocate novel nanoparticles through membranes, which may provide new ideas for future experimental nanoparticle design and drug delivery.