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人体气道中的区域性气溶胶沉积:SimInhale 基准案例和对计算方法的批判性评估。

Regional aerosol deposition in the human airways: The SimInhale benchmark case and a critical assessment of in silico methods.

机构信息

Department of Mechanical and Manufacturing Engineering, University of Cyprus, Nicosia, Cyprus.

Heat and Mass Transfer Technological Centre, Universitat Politècnica de Catalunya, Terrassa, Spain.

出版信息

Eur J Pharm Sci. 2018 Feb 15;113:77-94. doi: 10.1016/j.ejps.2017.09.003. Epub 2017 Sep 7.

DOI:10.1016/j.ejps.2017.09.003
PMID:28890203
Abstract

Regional deposition effects are important in the pulmonary delivery of drugs intended for the topical treatment of respiratory ailments. They also play a critical role in the systemic delivery of drugs with limited lung bioavailability. In recent years, significant improvements in the quality of pulmonary imaging have taken place, however the resolution of current imaging modalities remains inadequate for quantifying regional deposition. Computational Fluid-Particle Dynamics (CFPD) can fill this gap by providing detailed information about regional deposition in the extrathoracic and conducting airways. It is therefore not surprising that the last 15years have seen an exponential growth in the application of CFPD methods in this area. Survey of the recent literature however, reveals a wide variability in the range of modelling approaches used and in the assumptions made about important physical processes taking place during aerosol inhalation. The purpose of this work is to provide a concise critical review of the computational approaches used to date, and to present a benchmark case for validation of future studies in the upper airways. In the spirit of providing the wider community with a reference for quality assurance of CFPD studies, in vitro deposition measurements have been conducted in a human-based model of the upper airways, and several groups within MP1404 SimInhale have computed the same case using a variety of simulation and discretization approaches. Here, we report the results of this collaborative effort and provide a critical discussion of the performance of the various simulation methods. The benchmark case, in vitro deposition data and in silico results will be published online and made available to the wider community. Particle image velocimetry measurements of the flow, as well as additional numerical results from the community, will be appended to the online database as they become available in the future.

摘要

区域沉积效应在用于治疗呼吸疾病的局部治疗药物的肺部给药中非常重要。它们在具有有限肺部生物利用度的药物的全身给药中也起着至关重要的作用。近年来,肺部成像质量有了显著提高,但目前的成像方式的分辨率仍然不足以量化区域沉积。计算流体-颗粒动力学(CFPD)可以通过提供关于胸外和传导气道中区域沉积的详细信息来填补这一空白。因此,在该领域应用 CFPD 方法的数量在过去 15 年中呈指数级增长也就不足为奇了。然而,对最近文献的调查表明,所使用的建模方法的范围以及对气溶胶吸入过程中发生的重要物理过程的假设存在很大的可变性。这项工作的目的是提供对迄今为止使用的计算方法的简明批判性审查,并为上呼吸道的未来研究提供验证基准案例。本着为 CFPD 研究提供质量保证的精神,在基于人体的上呼吸道模型中进行了体外沉积测量,并且 MP1404 SimInhale 中的几个小组使用各种模拟和离散化方法计算了相同的情况。在这里,我们报告了这项合作努力的结果,并对各种模拟方法的性能进行了批判性讨论。基准案例、体外沉积数据和计算结果将在线发布,并提供给更广泛的社区。未来,随着流量的粒子图像测速测量以及来自社区的其他数值结果的出现,它们将被附加到在线数据库中。

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