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Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb

Mancozeb, an antifungal typically used for the growth of fruits, has the characteristic of non-internal absorption, and has a risk of binding to the waxy components of fruits. This work investigated the interaction of pesticide molecules with the waxy layer on the grape surface and their effects on...

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Autores principales: Guo, Boru, Wen, Aying, Yu, Hang, Guo, Yahui, Cheng, Yuliang, Xie, Yunfei, Qian, He, Yao, Weirong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10178566/
https://www.ncbi.nlm.nih.gov/pubmed/37175414
http://dx.doi.org/10.3390/ijms24097705
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author Guo, Boru
Wen, Aying
Yu, Hang
Guo, Yahui
Cheng, Yuliang
Xie, Yunfei
Qian, He
Yao, Weirong
author_facet Guo, Boru
Wen, Aying
Yu, Hang
Guo, Yahui
Cheng, Yuliang
Xie, Yunfei
Qian, He
Yao, Weirong
author_sort Guo, Boru
collection PubMed
description Mancozeb, an antifungal typically used for the growth of fruits, has the characteristic of non-internal absorption, and has a risk of binding to the waxy components of fruits. This work investigated the interaction of pesticide molecules with the waxy layer on the grape surface and their effects on pesticide residues in grapes. The study observed significant changes in the compositions of the waxy layer on the grape surface after soaking in a mancozeb standard solution. The six substances—oleanolic acid, ursolic acid, lupeol, octacosanol, hexacosanal, and γ-sitosterol—with discernible content differences were chosen for molecular docking. Docking results were further visualized by an independent gradient model based on Hirshfeld partition (IGMH). Hydrogen bonds and van der Waals forces were found between mancozeb and the six waxy components. Moreover, the negative matrix effects caused by the presence or absence of wax for the determination of mancozeb were different through the QuEChERS-HPLC-MS method. Compared with the residue of mancozeb in grapes (5.97 mg/kg), the deposition of mancozeb in grapes after dewaxing was significantly lower (1.12 mg/kg), which further supports that mancozeb may interact with the wax layer compositions. This work not only provides insights into the study of the interaction between pesticides and small molecules but also provides theoretical guidelines for the investigation of the removal of pesticide residues on the surface of fruits.
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spelling pubmed-101785662023-05-13 Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb Guo, Boru Wen, Aying Yu, Hang Guo, Yahui Cheng, Yuliang Xie, Yunfei Qian, He Yao, Weirong Int J Mol Sci Article Mancozeb, an antifungal typically used for the growth of fruits, has the characteristic of non-internal absorption, and has a risk of binding to the waxy components of fruits. This work investigated the interaction of pesticide molecules with the waxy layer on the grape surface and their effects on pesticide residues in grapes. The study observed significant changes in the compositions of the waxy layer on the grape surface after soaking in a mancozeb standard solution. The six substances—oleanolic acid, ursolic acid, lupeol, octacosanol, hexacosanal, and γ-sitosterol—with discernible content differences were chosen for molecular docking. Docking results were further visualized by an independent gradient model based on Hirshfeld partition (IGMH). Hydrogen bonds and van der Waals forces were found between mancozeb and the six waxy components. Moreover, the negative matrix effects caused by the presence or absence of wax for the determination of mancozeb were different through the QuEChERS-HPLC-MS method. Compared with the residue of mancozeb in grapes (5.97 mg/kg), the deposition of mancozeb in grapes after dewaxing was significantly lower (1.12 mg/kg), which further supports that mancozeb may interact with the wax layer compositions. This work not only provides insights into the study of the interaction between pesticides and small molecules but also provides theoretical guidelines for the investigation of the removal of pesticide residues on the surface of fruits. MDPI 2023-04-22 /pmc/articles/PMC10178566/ /pubmed/37175414 http://dx.doi.org/10.3390/ijms24097705 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Guo, Boru
Wen, Aying
Yu, Hang
Guo, Yahui
Cheng, Yuliang
Xie, Yunfei
Qian, He
Yao, Weirong
Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb
title Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb
title_full Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb
title_fullStr Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb
title_full_unstemmed Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb
title_short Interaction between Six Waxy Components in Summer Black Grapes (Vitis vinifera) and Mancozeb and Its Effect on the Residue of Mancozeb
title_sort interaction between six waxy components in summer black grapes (vitis vinifera) and mancozeb and its effect on the residue of mancozeb
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10178566/
https://www.ncbi.nlm.nih.gov/pubmed/37175414
http://dx.doi.org/10.3390/ijms24097705
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