ABSTRACT Recently, toxicants such as formaldehyde and acrolein were detected in electronic cigarette (EC) aerosols. It is imperative to conduct research and provide sufficient quantitative evidence to address the associated potential health risks. However, it is still a lack of informative data, i.e., high-resolution local dosimetry of inhaled aerosols in lung airways and other systemic regions, due to the limited imaging resolutions, restricted operational flexibilities, and invasive nature of experimental and clinical studies. In this study, an experimentally validated multiscale numerical model, i.e., Computational Fluid-Particle Dynamics (CFPD) model combined with a Physiologically Based Toxicokinetic (PBTK) model is developed to predict the systemic translocation of nicotine and acrolein in the human body after the deposition in the respiratory system. In-silico parametric analysis is performed for puff topography influence on the deposition and translocation of nicotine and acrolein in human respiratory systems and the systemic region. Results indicate that the puff volume and holding time can contribute to the variations of the nicotine and acrolein plasma concentration due to enhanced aerosol deposition in the lung. The change in the holding time has resulted in significant difference in the chemical translocation which was neglected in a large group of experimental studies. The capability of simulating multiple puffs of the new CFPD-PBTK model paves the way to a valuable computational simulation tool for assessing the chronic health effects of inhaled EC toxicants. Copyright © 2018 American Association for Aerosol Research

中文翻译：

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电子烟抽吸拓扑图对吸入尼古丁和丙烯醛在人体内沉积和迁移的计算分析

摘要 最近，在电子烟（EC）气溶胶中检测到甲醛和丙烯醛等有毒物质。必须进行研究并提供足够的定量证据来解决相关的潜在健康风险。然而，由于成像分辨率有限、操作灵活性有限以及实验和临床研究的侵入性，仍然缺乏信息数据，即肺气道和其他全身区域吸入气溶胶的高分辨率局部剂量测定。在本研究中，开发了经过实验验证的多尺度数值模型，即计算流体粒子动力学（CFPD）模型与基于生理的毒代动力学（PBTK）模型相结合，以预测尼古丁和丙烯醛沉积后在人体内的全身易位在呼吸系统中。进行了计算机参数分析，以了解烟嘴形貌对尼古丁和丙烯醛在人体呼吸系统和全身区域的沉积和易位的影响。结果表明，由于肺部气溶胶沉积增强，抽吸量和保持时间会导致尼古丁和丙烯醛血浆浓度的变化。保持时间的变化导致了化学易位的显着差异，这一点在大量实验研究中被忽略。新 CFPD-PBTK 模型能够模拟多次抽吸，为评估吸入 EC 毒物对健康的慢性影响的有价值的计算模拟工具铺平了道路。版权所有 © 2018 美国气溶胶研究协会