Including the bioconcentration of pesticide metabolites in plant uptake modeling†

Abstract

Although several models of pesticide uptake into plants are available, there are few modeling studies on the bioconcentration of metabolites in plants. Ignoring metabolites in plant uptake models can result in an underestimation of the parent compound's overall impacts on human health associated with pesticide residues in harvested food crops. To address this limitation, we offer a metabolite-based plant uptake model to predict the bioconcentration of the parent compound and its metabolites in plants. We used the uptake of glyphosate and its major metabolite (aminomethylphosphonic acid, AMPA) into potato as an example. The analysis of variability revealed that soil properties (affecting the soil sorption coefficient), dissipation half-life in soil, and metabolic half-life in the potato had a significant impact on the simulated AMPA concentration in the potato, indicating that regional variability could be generated in the plant bioconcentration process of metabolites. The proposed model was further compared using the non-metabolite model. The findings of the comparison suggested that the non-metabolite model, which is integrated with the AMPA bioconcentration process, can predict the AMPA concentration in the potato similarly to the proposed model. In conclusion, we provide insight into the bioconcentration process of metabolites in tuber plants from a modeling viewpoint, with some crucial model inputs, such as biotransformation and metabolic rate constants, requiring confirmation in future studies. The modeling demonstration emphasizes that it is relevant to consider bioaccumulation of metabolites, which can propagate further into increased overall residues of harmful compounds, especially in cases where metabolites have higher toxicity effect potency than their respective parent compounds.