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磁性纳米颗粒穿越血脑屏障(BBB)的建模与模拟。

Modeling and simulation of crossing magnetic nanoparticles through blood brain barrier (BBB).

作者信息

Pedram Maysam Z, Shamloo Amir, GhafarZadeh Ebrahim, Alasty Aria

出版信息

Annu Int Conf IEEE Eng Med Biol Soc. 2014;2014:5280-3. doi: 10.1109/EMBC.2014.6944817.


DOI:10.1109/EMBC.2014.6944817
PMID:25571185
Abstract

Crossing the Blood Brain Barrier (BBB), despite its tight junctions, is of the great importance in a plethora of medical applications. As a result, this work is dedicated to molecular dynamics (MD) simulation of crossing through the BBB particularly under the effect of magnetic force. For this purpose, two cases of a coated gold nanocparticle with insulin and uncoated gold nanoparticle have been considered; there, the dominant governing parameters in each case are changed to identify the optimized condition for crossing nanoparticles. These parameters are of biological (ligand-receptor binding affinity), biophysical (membrane surface receptor density ratio and non-specific interaction parameter) or geometrical (size of components) origin. The most important part of this study is MD simulation of nanoparticles under the effect of magnetic field and the result shows that for crossing through BBB what force profile must be provided by the magnetic field.

摘要

尽管血脑屏障(BBB)存在紧密连接,但在众多医学应用中穿越血脑屏障却极为重要。因此,这项工作致力于通过分子动力学(MD)模拟研究在磁力作用下穿越血脑屏障的过程。为此,考虑了两种情况:一种是包覆胰岛素的金纳米颗粒,另一种是未包覆的金纳米颗粒;在每种情况下,改变主要的控制参数以确定纳米颗粒穿越的优化条件。这些参数源自生物学(配体 - 受体结合亲和力)、生物物理学(膜表面受体密度比和非特异性相互作用参数)或几何学(组件大小)。本研究最重要的部分是对磁场作用下纳米颗粒的MD模拟,结果表明为了穿越血脑屏障,磁场必须提供怎样的力分布。

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Modeling and simulation of crossing magnetic nanoparticles through blood brain barrier (BBB).

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