Modeling Nanoparticle Targeting to a Vascular Surface in Shear Flow Through Diffusive Particle Dynamics.
Modeling Nanoparticle Targeting to a Vascular Surface in Shear Flow Through Diffusive Particle Dynamics.
复制标题
通过扩散粒子动力学模拟剪切流中靶向血管表面的纳米粒子
DOI：
10.1186/s11671-015-0942-z
复制
发表时间：
2015-12
影响因子：
--
通讯作者：
Liu Y
中科院分区：
文献类型：
--
作者：
Peng B;Liu Y;Zhou Y;Yang L;Zhang G;Liu Y
纳米粒子被认为是一种有前途的载体，用于靶向药物递送和成像探针。因此，对聚合物纳米颗粒靶向受体包被的血管表面的动力学的基本理解对于增强纳米颗粒的设计以改善结合能力是非常重要的。虽然已经在颗粒水平上研究了颗粒尺寸和剪切流对纳米颗粒与血管壁结合的影响，但是还没有开发出在分子水平上研究结合过程细节的计算模型。在这项研究中，耗散粒子动力学模拟被用来研究与血管表面的受体剪切流下结合的纳米粒子的直径为几个纳米。有趣的是，剪切流速范围从0到2000 s-1对非常接近毛细管壁的纳米颗粒的附着过程没有影响。配体与壁面结合能的增加导致成键能力的相应线性增加。我们的模拟还表明，较大的纳米粒子和具有较高纵横比的棒状纳米粒子比较小尺寸或圆形的纳米粒子具有更好的结合能力。
Nanoparticles are regarded as promising carriers for targeted drug delivery and imaging probes. A fundamental understanding of the dynamics of polymeric nanoparticle targeting to receptor-coated vascular surfaces is therefore of great importance to enhance the design of nanoparticles toward improving binding ability. Although the effects of particle size and shear flow on the binding of nanoparticles to a vessel wall have been studied at the particulate level, a computational model to investigate the details of the binding process at the molecular level has not been developed. In this research, dissipative particle dynamics simulations are used to study nanoparticles with diameters of several nanometers binding to receptors on vascular surfaces under shear flow. Interestingly, shear flow velocities ranging from 0 to 2000 s−1had no effect on the attachment process of nanoparticles very close to the capillary wall. Increased binding energy between the ligands and wall caused a corresponding linear increase in bonding ability. Our simulations also indicated that larger nanoparticles and those of rod shape with a higher aspect ratio have better binding ability than those of smaller size or rounder shape.
登录
查看更多内容
影响因子：
4.2
作者：
Liu Y;Tan J;Thomas A;Ou-Yang D;Muzykantov VR
通讯作者：
Muzykantov VR
影响因子：
3.9
作者：
Chen, Chen;Gao, Chunning;Lu, Juntao
通讯作者：
Lu, Juntao
影响因子：
4.6
作者：
Filipovic, Nenad;Isailovic, Velibor;Kojic, Milos
通讯作者：
Kojic, Milos
涂层配体的理化性质在受体介导的纳米颗粒内吞作用中的作用
影响因子：
14
作者：
Ding, Hong-ming;Ma, Yu-qiang
通讯作者：
Ma, Yu-qiang
影响因子：
6.2
作者：
Djohari, Hadrian;Dormidontova, Elena E.
通讯作者：
Dormidontova, Elena E.