Chemometric Approach to Pesticide Residue Analysis in Surface Water

Abstract

Dimethachlor is an herbicide used for oilseed rape protection. Previous studies have demonstrated its high mobility in the soil, which could lead to water contamination. This research aimed to determine the occurrence of dimethachlor and its metabolites (dimethachlor ethanesulfonic acid ESA and dimethachlor oxalamic acid OA) in surface water using a recently developed analytical method. This article is one of the first to document dimethachlor and its metabolites’ presence in surface water samples. The samples were collected from the Danube river and Tisza river. The quantitative determination of dimethachlor and its metabolites in the obtained extracts was done by high-performance liquid chromatography. Descriptive statistical methods, including correlation analysis, cluster analysis, and principal component analyses, were utilized to analyze method validation experimental results. In addition, the artificial neural network (ANN) model was applied as an optimization tool. The developed ANN model adequately predicted observed variables, suggesting the optimum results were obtained at a pH value 7, spike value 1, and injection volume equal to 0.5 μL. The average concentrations in Danube River samples were 1.51 µg/L for OA 0.01 µg/L for ESA, and 0.63 µg/L for DMC, while the average concentrations of chloroacetanilide herbicides detected in Tisza River samples were 1.43 µg/L for OA, 0.08 µg/L for ESA and 1.82 µg/L for DMC.