Related Experiment Video
Updated: Mar 3, 2026

In Silico Modeling Method for Computational Aquatic Toxicology of Endocrine Disruptors: A Software-Based Approach Using QSAR Toolbox
Published on: August 28, 2019
Validation trial of predictive fate models using an aquatic herbicide (endothall)
1Institute of Applied Sciences and Department of Biological Sciences, North Texas State University, Denton, Texas 76203.
Abstract:
Environmental risk assessment of pesticides in aquatic environments requires predictions of their persistence and compartmentalization. A strategy for developing confidence in predictive fate models, such as the Exposure Analysis Modeling System (EXAMS) and the Simplified Lake and Stream Analysis model (SLSA), is to test the models using carefully chosen chemicals in semi-controlled and field situations. For example, endothall, a relatively water-soluble aquatic herbicide, essentially has a sole fate process, biotransformation. This dicarboxylic acid was used to test the predictive capabilities of EXAMS and SLSA and to identify sources of variance in those predictions. The models were parameterized using laboratory, experimental pool and field measurements. Persistence and compartmentalization of endothall in the water, sediments and aquatic plants (Eurasian watermilfoil-Myriophyllum spicatum L.) contained in experimental pools were measured using gas chromatography. Both EXAMS and SLSA predicted aqueous compartment half-lives ranging from 7.3 to 7.8 d, whereas an aqueous half-life of 4 d was observed in the experimental pools. Endothall was introduced to areas within Pat Mayse Lake, a 2,400-ha reservoir in north central Texas, as part of an aquatic plant management program for M. spicatum. Concentrations of endothall were below detection limits (0.002 mg L-1 water, 0.01 mg kg-1 sediment) in 2 to 3 d and in 4 d in the water and sediment compartments, respectively. EXAMS and SLSA predicted half-lives ranging from 3 to 6 d in the water column. Observed aqueous half-lives ranged from 0.1 to 0.23 d. Horizontal dispersion and dilution contributed significantly to the dissipation of endothall at these sites. Predicted concentrations of endothall in sediment were similar to the measured concentrations. This study is one validation trial of EXAMS and SLSA in which the models were not considered validated.
More Related Videos
08:49Vegetated Treatment Systems for Removing Contaminants Associated with Surface Water Toxicity in Agriculture and Urban Runoff
Published on: May 15, 2017
16:02Demonstration of the Sequence Alignment to Predict Across Species Susceptibility Tool for Rapid Assessment of Protein Conservation
Published on: February 10, 2023
Related Concept Videos
Impact of Pharmacokinetic–Pharmacodynamic Models: Regulatory Decisions
Toxicity Testing in Animals