Functional Group Properties and Position Drive Differences in Xenobiotic Plant Uptake Rates, but Metabolism Shares a Similar Pathway.

Plant uptake of xenobiotic compounds is crucial for phytoremediation (including green stormwater infrastructure) and exposure potential during crop irrigation with recycled water. Experimentally determining the plant uptake for every relevant chemical is impractical; therefore, illuminating the role of specific functional groups on the uptake of trace organic contaminants is needed to enhance predictive power. We used benzimidazole derivatives to probe the impact of functional group electrostatic properties and position on plant uptake and metabolism using the hydroponic model plant .

Modeling Risk Dynamics of Contaminants of Emerging Concern in a Temperate-region Wastewater Effluent-dominated Stream.

Wastewater effluent-dominated streams are becoming increasingly common worldwide, including in temperate regions, with potential impacts on ecological systems and drinking water sources. We recently quantified the occurrence/ spatiotemporal dynamics of pharmaceutical mixtures in a representative temperate-region wastewater effluent-dominated stream (Muddy Creek, Iowa) under baseflow conditions and characterized relevant fate processes. Herein, we quantified the ecological risk quotients (RQs) of 19 effluent-derived contaminants of emerging concern (CECs; including: 14 pharmaceuticals, 2 industrial chemicals, and 3 neonicotinoid insecticides) and 1 run-off-derived compound (atrazine) in the stream under baseflow conditions, and estimated the probabilistic risks of effluent-derived CECs under all-flow conditions (i.

Combining Experimental Sorption Parameters with QSAR to Predict Neonicotinoid and Transformation Product Sorption to Carbon Nanotubes and Granular Activated Carbon.

We recently discovered that transformation of the neonicotinoid insecticidal pharmacophore alters sorption propensity to activated carbon, with products adsorbing less than parent compounds. To assess the environmental fate of novel transformation products that lack commercially available standards, researchers must rely on predictive approaches. In this study, we combined computationally derived quantitative structure-activity relationship (QSAR) parameters for neonicotinoids and neonicotinoid transformation products with experimentally determined Freundlich partition constants (log for sorption to carbon nanotubes [CNTs] and granular activated carbon [GAC]) to model neonicotinoid and transformation product sorption.

Emerging investigator series: municipal wastewater as a year-round point source of neonicotinoid insecticides that persist in an effluent-dominated stream.

Neonicotinoids in aquatic systems have been predominantly associated with agriculture, but some are increasingly being linked to municipal wastewater. Thus, the aim of this work was to understand the municipal wastewater contribution to neonicotinoids in a representative, characterized effluent-dominated temperate-region stream. Our approach was to quantify the spatiotemporal concentrations of imidacloprid, clothianidin, thiamethoxam, and transformation product imidacloprid urea: 0.

Differences in Neonicotinoid and Metabolite Sorption to Activated Carbon Are Driven by Alterations to the Insecticidal Pharmacophore.

Widespread application of neonicotinoids has led to their proliferation in waters. Despite low neonicotinoid hydrophobicity, our prior studies implicated granular activated carbon (GAC) in neonicotinoid removal. Based on known receptor binding characteristics, we hypothesized that the insecticidal pharmacophore influences neonicotinoid sorption.