Electrochemical, theoretical, and analytical investigation of the phenylurea herbicide fluometuron at a glassy carbon electrode

•New insights on the electrochemical behavior of fluometuron were proposed.•Modification-free electroanalytical approach for herbicide sensing.•Low LOD was achieved using the bare GCE.•The proposed method presented high sensitivity, excellent selectivity, and accuracy.•Novel strategy for the quantif...

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Published in:Electrochimica acta 2022-03, Vol.408, p.139945, Article 139945
Main Authors: Sousa, Kelline Alaide Pereira, Morawski, Franciele de Matos, de Campos, Carlos Eduardo Maduro, Parreira, Renato Luis Tamme, Piotrowski, Maurício Jeomar, Nagurniak, Glaucio Régis, Jost, Cristiane Luisa
Format: Article
Language:English
Subjects:
Density functional theory
Differential pulse voltammetry
Electrochemical analysis
Electrodes
Electrolytic analysis
Evaluation
Fouling
Glassy carbon
Glassy carbon electrode
Herbicides
Organic compounds
Oxidation
Pesticides
Phenylurea herbicide
Raman spectroscopy
Selectivity
Strong interactions (field theory)
Substrates
Unmodified electrode
Voltammetry
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Summary:•New insights on the electrochemical behavior of fluometuron were proposed.•Modification-free electroanalytical approach for herbicide sensing.•Low LOD was achieved using the bare GCE.•The proposed method presented high sensitivity, excellent selectivity, and accuracy.•Novel strategy for the quantification of fluometuron in environmental samples. For the first time, both theoretical and electrochemical behavior of the phenylurea herbicide fluometuron (FTN) were investigated using the glassy carbon electrode (GCE). The cyclic voltammetry (CV) performed in the presence of FTN showed an irreversible profile for the analyte with one well-defined anodic peak at ca. +1.2 V (vs. Ag/AgCl). The linear dependence of pH and peak potential was evaluated using the Nernst equation through CV measurements. The slope of 46 mV s−1 suggests an oxidation mechanism involving an equal number of protons and electrons. High-level quantum-mechanical calculations based on the density functional theory showed that the presence of defects on the GCE surface induces strong interaction leading to FTN dissociation and/or its adsorption with orientation parallel to the substrate which compromises the electroanalysis. Raman spectroscopy confirmed the surface fouling. Differential pulse voltammetry (DPV) was used for the electroanalytical determination of FTN under optimized conditions. The oxidation peak increased with increasing concentrations of FTN in the range of 207–3846 µg L−1; the theoretical detection limit was estimated as 63 µg L−1. To avoid surface fouling, the calibration curve was applied for the determination of FTN. The unmodified electrode offered proper selectivity in the presence of other pesticides and potential interfering species. Intra and inter-day precision was established. Recoveries were obtained in the range of 81.8–98.9% (n = 3) with the absence of matrix effects. The results showed that electroanalysis through the bare GCE might be used as a novel strategy to determine the persistent organic compound FTN in spiked river water and simulated serum samples and preliminary evaluations such as screening purposes.
ISSN:0013-4686
1873-3859
DOI:10.1016/j.electacta.2022.139945