White Diana, Coombe Dennis, Rezania Vahid, Tuszynski Jack
Department of Mathematics, Clarkson University, Potsdam, New York, United States of America.
Computer Modelling Group Ltd, Calgary, Alberta, Canada.
PLoS One. 2016 Sep 20;11(9):e0162215. doi: 10.1371/journal.pone.0162215. eCollection 2016.
In this paper, we develop a spatio-temporal modeling approach to describe blood and drug flow, as well as drug uptake and elimination, on an approximation of the liver. Extending on previously developed computational approaches, we generate an approximation of a liver, which consists of a portal and hepatic vein vasculature structure, embedded in the surrounding liver tissue. The vasculature is generated via constrained constructive optimization, and then converted to a spatial grid of a selected grid size. Estimates for surrounding upscaled lobule tissue properties are then presented appropriate to the same grid size. Simulation of fluid flow and drug metabolism (hepatic clearance) are completed using discretized forms of the relevant convective-diffusive-reactive partial differential equations for these processes. This results in a single stage, uniformly consistent method to simulate equations for blood and drug flow, as well as drug metabolism, on a 3D structure representative of a liver.
在本文中，我们开发了一种时空建模方法，用于描述肝脏近似模型上的血液和药物流动以及药物摄取和消除。在先前开发的计算方法的基础上进行扩展，我们生成了一个肝脏近似模型，它由嵌入周围肝组织中的门静脉和肝静脉血管结构组成。通过约束构造优化生成血管系统，然后将其转换为选定网格大小的空间网格。然后给出与相同网格大小相适应的周围放大小叶组织特性的估计值。使用这些过程的相关对流 - 扩散 - 反应偏微分方程的离散形式完成流体流动和药物代谢（肝清除率）的模拟。这产生了一种单阶段、统一一致的方法，用于在代表肝脏的三维结构上模拟血液和药物流动以及药物代谢的方程。
