Theoretical Soft Matter and Biophysics, Institute of Complex Systems and Institute for Advanced Simulation, Forschungszentrum Jülich, 52425 Jülich, Germany.
Sci Rep. 2014 May 2;4:4871. doi: 10.1038/srep04871.
Drug delivery by micro- and nano-carriers enables controlled transport of pharmaceuticals to targeted sites. Even though carrier fabrication has made much progress recently, the delivery including controlled particle distribution and adhesion within the body remains a great challenge. The adhesion of carriers is strongly affected by their margination properties (migration toward walls) in the microvasculature. To investigate margination characteristics of carriers of different shapes and sizes and to elucidate the relevant physical mechanisms, we employ mesoscopic hydrodynamic simulations of blood flow. Particle margination is studied for a wide range of hematocrit values, vessel sizes, and flow rates, using two- and three-dimensional models. The simulations show that the margination properties of particles improve with increasing carrier size. Spherical particles yield slightly better margination than ellipsoidal carriers; however, ellipsoidal particles exhibit a slower rotational dynamics near a wall favoring their adhesion. In conclusion, micron-sized ellipsoidal particles are favorable for drug delivery in comparison with sub-micron spherical particles.
微纳米载体的药物输送能够实现将药物靶向输送到特定部位。尽管载体的制造最近已经取得了很大的进展,但包括在体内控制颗粒分布和附着在内的输送仍然是一个巨大的挑战。载体的附着强烈受到其在微血管中的边缘特性(向壁迁移)的影响。为了研究不同形状和大小的载体的边缘特性,并阐明相关的物理机制,我们采用血液流动的介观流体动力学模拟。使用二维和三维模型,针对广泛的血细胞比容值、血管大小和流速研究了颗粒的边缘特性。模拟表明,随着载体尺寸的增加,颗粒的边缘特性得到改善。球形颗粒的边缘特性比椭圆形载体略好;然而,在靠近壁面时,椭圆形颗粒表现出较慢的旋转动力学,有利于其附着。总之,与亚微米级球形颗粒相比,微米级椭圆形颗粒更有利于药物输送。