Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate

Ametryn is a triazinic herbicide widely used in sugarcane cultivation and poses environmental and health risks due to its toxicity and potential for bioaccumulation. This study explores the use of aqueous two-phase systems (ATPS) as a sustainable alternative for the extraction of ametryn from aqueou...

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Main Authors: João O. Ferreira, Davi S.S. Souza, Giovana C. Zambuzi, Brenda S. Bega, Júlia S. Forster, Vinícius A.P. Tartare, Rafael C.R. Chagas, Adriano L. de Souza, Kelly R. Francisco
Format: Article
Language:English
Published: Elsevier 2025-07-01
Series:Results in Chemistry
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Online Access:http://www.sciencedirect.com/science/article/pii/S2211715625004400
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author João O. Ferreira
Davi S.S. Souza
Giovana C. Zambuzi
Brenda S. Bega
Júlia S. Forster
Vinícius A.P. Tartare
Rafael C.R. Chagas
Adriano L. de Souza
Kelly R. Francisco
author_facet João O. Ferreira
Davi S.S. Souza
Giovana C. Zambuzi
Brenda S. Bega
Júlia S. Forster
Vinícius A.P. Tartare
Rafael C.R. Chagas
Adriano L. de Souza
Kelly R. Francisco
author_sort João O. Ferreira
collection DOAJ
description Ametryn is a triazinic herbicide widely used in sugarcane cultivation and poses environmental and health risks due to its toxicity and potential for bioaccumulation. This study explores the use of aqueous two-phase systems (ATPS) as a sustainable alternative for the extraction of ametryn from aqueous media. The ATPS, composed of poly(ethylene glycol) (PEG) 4000 g mol−1 and sodium sulfate at varying concentrations, were evaluated for their ability to partition 0.01 % (w/w) ametryn between the two phases at 298.15 K through intermolecular interactions. Five ATPS formulations with increasing concentrations of PEG and sodium sulfate were prepared: ATPS 1 to 5 contained (PEG/Na₂SO₄/water, (w/w%)) 8.75/7.68/83.57, 11.10/9.12/79.78, 12.80/10.05/77.16, 14.90/10.41/74.69, and 17.23/11.08/71.69, respectively. The extraction efficiency and partition coefficients (Kₚ) were determined for each system. ATPS 4 and 5 achieved 100 % extraction efficiency, outperforming conventional extraction systems such as octanol-water. The partition coefficients for ATPS 1, 2, and 3 were 4.07, 35.73, and 185.08, respectively, indicating a progressive enhancement in ametryn partitioning with increasing PEG and salt concentrations. Negative Gibbs free energy (ΔG) changes in all systems suggested thermodynamically favorable partitioning into the PEG-rich phase. This behavior is primarily attributed to hydrophobic and van der Waals interactions between ametryn and PEG, while the strong affinity of sodium sulfate for water limited its direct interaction with ametryn. These results demonstrate that PEG 4000/sodium sulfate-based ATPS represent an efficient, cost-effective, and environmentally friendly method for pesticide extraction, with potential for further optimization and application in environmental remediation near agricultural areas.
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spelling doaj-art-fd4b4b1c179c45af941e1f68cd7df64e2025-08-20T03:59:31ZengElsevierResults in Chemistry2211-71562025-07-011610245710.1016/j.rechem.2025.102457Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfateJoão O. Ferreira0Davi S.S. Souza1Giovana C. Zambuzi2Brenda S. Bega3Júlia S. Forster4Vinícius A.P. Tartare5Rafael C.R. Chagas6Adriano L. de Souza7Kelly R. Francisco8Center for Science and Technologies for Sustainability, Federal University of São Carlos, Sorocaba, SP 18052-780, BrazilCenter for Science and Technologies for Sustainability, Federal University of São Carlos, Sorocaba, SP 18052-780, BrazilCenter for Natural and Human Sciences, Federal University of ABC, Santo André, SP 09210-180, BrazilCenter for Science and Technologies for Sustainability, Federal University of São Carlos, Sorocaba, SP 18052-780, BrazilCenter for Science and Technologies for Sustainability, Federal University of São Carlos, Sorocaba, SP 18052-780, BrazilCenter for Science and Technologies for Sustainability, Federal University of São Carlos, Sorocaba, SP 18052-780, BrazilLaboratory of Biosorption and Chemical Synthesis – Labiosin, Federal University of São João del Rei (UFSJ), Divinópolis, MG 35501-296, BrazilCenter for Science and Technologies for Sustainability, Federal University of São Carlos, Sorocaba, SP 18052-780, Brazil; Department of Natural Science, Mathematics and Education, Federal University of São Carlos, Araras, 13600-970, SP, BrazilCenter for Science and Technologies for Sustainability, Federal University of São Carlos, Sorocaba, SP 18052-780, Brazil; Center for Natural and Human Sciences, Federal University of ABC, Santo André, SP 09210-180, Brazil; Department of Natural Science, Mathematics and Education, Federal University of São Carlos, Araras, 13600-970, SP, Brazil; Corresponding author at: Department of Natural Science, Mathematics and Education, Federal University of São Carlos, Araras, 13600-970, SP, Brazil.Ametryn is a triazinic herbicide widely used in sugarcane cultivation and poses environmental and health risks due to its toxicity and potential for bioaccumulation. This study explores the use of aqueous two-phase systems (ATPS) as a sustainable alternative for the extraction of ametryn from aqueous media. The ATPS, composed of poly(ethylene glycol) (PEG) 4000 g mol−1 and sodium sulfate at varying concentrations, were evaluated for their ability to partition 0.01 % (w/w) ametryn between the two phases at 298.15 K through intermolecular interactions. Five ATPS formulations with increasing concentrations of PEG and sodium sulfate were prepared: ATPS 1 to 5 contained (PEG/Na₂SO₄/water, (w/w%)) 8.75/7.68/83.57, 11.10/9.12/79.78, 12.80/10.05/77.16, 14.90/10.41/74.69, and 17.23/11.08/71.69, respectively. The extraction efficiency and partition coefficients (Kₚ) were determined for each system. ATPS 4 and 5 achieved 100 % extraction efficiency, outperforming conventional extraction systems such as octanol-water. The partition coefficients for ATPS 1, 2, and 3 were 4.07, 35.73, and 185.08, respectively, indicating a progressive enhancement in ametryn partitioning with increasing PEG and salt concentrations. Negative Gibbs free energy (ΔG) changes in all systems suggested thermodynamically favorable partitioning into the PEG-rich phase. This behavior is primarily attributed to hydrophobic and van der Waals interactions between ametryn and PEG, while the strong affinity of sodium sulfate for water limited its direct interaction with ametryn. These results demonstrate that PEG 4000/sodium sulfate-based ATPS represent an efficient, cost-effective, and environmentally friendly method for pesticide extraction, with potential for further optimization and application in environmental remediation near agricultural areas.http://www.sciencedirect.com/science/article/pii/S2211715625004400Aqueous two-phase systems (ATPS)Partition coefficientThermodynamic analysisAmetryn extractionPEG 4000
spellingShingle João O. Ferreira
Davi S.S. Souza
Giovana C. Zambuzi
Brenda S. Bega
Júlia S. Forster
Vinícius A.P. Tartare
Rafael C.R. Chagas
Adriano L. de Souza
Kelly R. Francisco
Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate
Results in Chemistry
Aqueous two-phase systems (ATPS)
Partition coefficient
Thermodynamic analysis
Ametryn extraction
PEG 4000
title Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate
title_full Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate
title_fullStr Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate
title_full_unstemmed Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate
title_short Efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate
title_sort efficient extraction of ametryn in aqueous biphasic systems formed by polyethylene glycol and sodium sulfate
topic Aqueous two-phase systems (ATPS)
Partition coefficient
Thermodynamic analysis
Ametryn extraction
PEG 4000
url http://www.sciencedirect.com/science/article/pii/S2211715625004400
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