With the advancement of experimental and computational techniques, three-dimensional (3D) computational fluid dynamics (CFD) airflow models of the respiratory system have increasingly been used to evaluate aerosol deposition, gas exchange and airflow characteristics under various physiological and/or disease conditions. One specific application that is emerging in the field of toxicology is assessing the risk for exposure to highly reactive, water-soluble gases and vapors including formaldehyde, acetaldehyde, hydrogen sulfide, and acrolein by coupling CFD models of nasal airways of rats and humans to physiological based pharmacokinetic (PBPK) models.

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