Coupled Particulate and Continuum Model for Nanoparticle Targeted Delivery.
Coupled Particulate and Continuum Model for Nanoparticle Targeted Delivery.
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DOI：
10.1016/j.compstruc.2012.12.019
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发表时间：
2013-06-01
影响因子：
4.7
通讯作者：
Liu, Yaling
中科院分区：
文献类型：
--
作者：
Tan, Jifu;Wang, Shunqiang;Yang, Jie;Liu, Yaling
关键词：
纳米颗粒（NP）在血管中的分布预测涉及不同尺度的输送现象，对于评估NP输送效率至关重要。结合颗粒和连续体模型被开发来模拟NP的运输和输送过程。在微粒模型中，配体-受体结合动力学与布朗动力学相结合，在微观尺度上研究NP结合。推导出分子水平结合参数与颗粒水平粘附和脱离率之间的解析公式。然后将得到的NP粘附率与对流-扩散-反应模型相结合，在宏观尺度上研究NP的传输和传递。连续介质模型的结合结果与颗粒模型的结合结果吻合较好。研究了剪切速率、颗粒大小和血管几何形状对NP粘附的影响。分析公式预测的附着率与文献报道的实验数据吻合较好。所开发的耦合模型将配体-受体结合动力学与NP粘附率以及宏观运输和递送过程联系起来，可以作为一种更快的评估和预测工具，以确定NP在复杂血管网络中的分布。
Prediction of nanoparticle (NP) distribution in a vasculature involves transport phenomena at various scales and is crucial for the evaluation of NP delivery efficiency. A combined particulate and continuum model is developed to model NP transport and delivery processes. In the particulate model ligand-receptor binding kinetics is coupled with Brownian dynamics to study NP binding on a microscale. An analytical formula is derived to link molecular level binding parameters to particulate level adhesion and detachment rates. The obtained NP adhesion rates are then coupled with a convection-diffusion-reaction model to study NP transport and delivery at macroscale. The binding results of the continuum model agree well with those from the particulate model. The effects of shear rate, particle size and vascular geometry on NP adhesion are investigated. Attachment rates predicted by the analytical formula also agree reasonably well with the experimental data reported in literature. The developed coupled model that links ligand-receptor binding dynamics to NP adhesion rate along with macroscale transport and delivery processes may serve as a faster evaluation and prediction tool to determine NP distribution in complex vascular networks.
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影响因子：
64.8
作者：
Pasqualini, R;Ruoslahti, E
通讯作者：
Ruoslahti, E
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：
3.4
作者：
EVANS, EA
通讯作者：
EVANS, EA
DOI：
10.1098/rspb.1988.0038
发表时间：
1988-06-22
期刊：
PROCEEDINGS OF THE ROYAL SOCIETY SERIES B-BIOLOGICAL SCIENCES
影响因子：
--
作者：
DEMBO, M;TORNEY, DC;HAMMER, D
通讯作者：
HAMMER, D
DOI：
10.1073/pnas.1006611107
发表时间：
2010-09-21
影响因子：
11.1
作者：
Liu, Jin;Weller, Gregory E. R.;Radhakrishnan, Ravi
通讯作者：
Radhakrishnan, Ravi