Model predictions and comparisons for three toxicokinetic models for the systemic transport of trichloroethylene

In this paper, we present and compare three physiologically based pharmacokinetic models for the systemic transport of trichloroethylene (TCE), a common environmental toxicant. Of particular interest is the disposition of TCE in the adipose tissue, where TCE is known to accumulate. The first two systemic models utilize standard ODE-based adipose compartments that assume rapid equilibrium and uniformity. The third model includes a PDE-based axial dispersion model that is designed to capture the heterogeneous physiology of adipose tissue and the expected transport of TCE there. Using numerical methods and model simulations, we compare the predicted concentration profiles of TCE in the adipose tissue for the three systemic models. Our results suggest that the dispersion-based adipose compartmental model is best able to capture the physiological heterogeneities of adipose tissue and their expected effects on TCE adipose concentrations.