Modeling chemical bioaccumulation in snakes, part 2: Model testing and high-throughput simulation

Abstract

In part 2 of the physiologically based kinetic (PBK) model for snakes, using default and generic input values, the simulation outcomes showed that chemicals with moderate lipophilicity, low volatility, and low biotransformability exhibited a high potential for biotransfer in the snake’s skin. Furthermore, the inclusion or exclusion of the skin compartment in the PBK model had a substantial impact on the fate, transport, and distribution of these chemicals within the snake’s body. In comparison to the elimination routes via blood transport and volatilization, the shedding of skin and growth processes did not contribute substantially to the overall kinetics of chemical elimination from the skin for most chemicals. The proposed model has demonstrated a consistent alignment with the observed patterns of chemical distribution, as supported by certain experimental data. Furthermore, it has the potential to provide an explanation for and enhance the understanding of the discrepancies found in other field observations. The modeling exercise clearly illustrated the significant role of the skin compartment in the biotransfer of chemicals within the snake’s body and highlighted the importance of including the snake’s physiological features into the PBK model. To further enhance the model’s performance and accuracy, additional research focused on obtaining specific physiological data pertaining to snakes would be beneficial.