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使用计算流体动力学和离散元法研究人体气道中非球形药物颗粒的沉积。

Non-spherical drug particle deposition in human airway using computational fluid dynamics and discrete element method.

机构信息

Fuels Research Center, Department of Chemical Technology, Faculty of Science, Chulalongkorn University, 254 Phayathai Road, Wangmai, Pathumwan, Bangkok 10330, Thailand.

Division of Nuclear Medicine, Department of Radiology, Faculty of Medicine, Siriraj Hospital, Mahidol University, Bangkok 10700, Thailand.

出版信息

Int J Pharm. 2023 May 25;639:122979. doi: 10.1016/j.ijpharm.2023.122979. Epub 2023 Apr 24.

Abstract

Currently, the air pollution and the respiratory disease problems that affect human health are increasing rapidly. Hence, there is attention for trend prediction of the located deposition of inhaled particles. In this study, Weibel's based human airway model (G0-G5) was employed. The computational fluid dynamics and discrete element method (CFD-DEM) simulation was successfully validated by comparison to the previous research studies. The CFD-DEM achieves a better balance between numerical accuracy and computational requirement when comparing with the other methods. Then, the model was used to analyze the non-spherical drug transport with different drug particle sizes, shapes, density, and concentrations. The results found that all the studied factors affected the drug deposition and particle out-mass percentage except the drug concentration. The drug deposition was increased with the increasing of particle size and particle density due to the influence of particle inertia. The Tomahawk-shaped drug deposited easier than the cylindrical drug shape because of the different drag behavior. For the effect of airway geometries, G0 was the maximum deposited zone and G3 was the minimum deposited zone. The boundary layer was found around bifurcation due to the shear force at the wall. Finally, the knowledge can give an essential recommendation for curing patients with pharmaceutical aerosol. The design suggestion of a proper drug delivery device can be summarized.

摘要

目前,影响人类健康的空气污染和呼吸道疾病问题正在迅速增加。因此,人们关注吸入颗粒定位沉积的趋势预测。在这项研究中,采用了基于 Weibel 的人体气道模型(G0-G5)。通过与先前的研究进行比较,计算流体动力学和离散元法(CFD-DEM)模拟得到了成功验证。与其他方法相比,CFD-DEM 在数值准确性和计算要求之间取得了更好的平衡。然后,该模型用于分析不同药物颗粒大小、形状、密度和浓度的非球形药物输送。结果发现,除药物浓度外,所有研究因素都影响药物沉积和颗粒出质量百分比。由于颗粒惯性的影响,药物沉积随着颗粒尺寸和颗粒密度的增加而增加。由于不同的阻力行为,Tomahawk 形状的药物比圆柱形药物更容易沉积。对于气道几何形状的影响,G0 是最大沉积区域,G3 是最小沉积区域。由于壁面的剪切力,在分叉处发现了边界层。最后,这些知识可以为治疗吸入药物的患者提供重要建议。可以总结出适当药物输送装置的设计建议。

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