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药物从脂质体释放到血液中的计算机模拟。

Computer simulations of drug release from a liposome into the bloodstream.

作者信息

Kaoui Badr

机构信息

Biomechanics and Bioengineering Laboratory (UMR 7338), CNRS, Sorbonne Universités, Université de Technologie de Compiègne, 60200, Compiègne, France.

Labex MS2T "Control of Technological Systems-of-Systems", CNRS, Sorbonne Universités, Université de Technologie de Compiègne, 60200, Compiègne, France.

出版信息

Eur Phys J E Soft Matter. 2018 Feb 8;41(2):20. doi: 10.1140/epje/i2018-11626-7.

DOI:10.1140/epje/i2018-11626-7
PMID:29404705
Abstract

I propose two-dimensional simulations of drug release from a liposome into the bloodstream. I perform the fluid-structure coupling, between the particles deformation (the liposome and the red blood cells) and the plasma flow, using the immersed boundary method. I compute both the flow and the drug mass transport using the lattice Boltzmann method. The simulations allow computing the instantaneous amount of the released drug, its distribution and its accumulation in the blood vessel wall. These quantities are sensitive to multiple factors and parameters. Here, I briefly explore the impact of having surrounding red blood cells, which are found to enhance slightly the drug release at large Schmidt numbers. In the limit of extremely large permeability of the particles, the drug transport is mainly affected by the complex flow induced by the interplay between the applied flow and the collective motion of the particles.

摘要

我提议对药物从脂质体释放到血液中的过程进行二维模拟。我使用浸入边界法进行粒子变形(脂质体和红细胞)与血浆流动之间的流固耦合。我使用格子玻尔兹曼方法计算流动和药物质量传输。这些模拟能够计算释放药物的瞬时量、其分布以及在血管壁中的积累。这些量对多种因素和参数敏感。在此,我简要探讨周围存在红细胞的影响,发现红细胞在大施密特数时会略微增强药物释放。在粒子渗透率极大的极限情况下,药物传输主要受外加流动与粒子集体运动相互作用所诱导的复杂流动影响。

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