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Qualitative and quantitative analysis of four benzimidazole residues in food by surface-enhanced Raman spectroscopy combined with chemometrics
[Display omitted] •A strategy was developed to distinguish and quantitate four kinds of BMZs residues in corn.•The Fe3O4@SiO2@Ag-SH substrate was prepared for SERS measurements.•PCA, PLS-DA and FCM models were established to classify and identify CBZ, BN, THM and TBZ.•PLSR and SVR were employed for...
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Published in: | Food chemistry 2023-10, Vol.424, p.136479-136479, Article 136479 |
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creator | Wang, Tianyao Xie, Chuangjie You, Qian Tian, Xingguo Xu, Xiaoyan |
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•A strategy was developed to distinguish and quantitate four kinds of BMZs residues in corn.•The Fe3O4@SiO2@Ag-SH substrate was prepared for SERS measurements.•PCA, PLS-DA and FCM models were established to classify and identify CBZ, BN, THM and TBZ.•PLSR and SVR were employed for quantitative analysis of BMZs residues.
In this study, surface-enhanced Raman spectroscopy (SERS) combined with chemometric methods were developed for qualitative and quantitative analysis of four benzimidazole (BMZs) residues in corn. Sulfhydryl functionalized Fe3O4@SiO2@Ag-SH magnetic SERS substrates were prepared to obtain the SERS spectra of four BMZs for chemometric analysis. The partial least squares regression discrimination analysis (PLS-DA) model performed best, with a recall rate upwards 99.17%, and could successfully distinguish four BMZs. Under the support vector machine regression (SVR) model, the detection limits of carbendazim, benomyl, thiophanate-methyl and thiabendazole were 0.055 mg/L, 0.056 mg/L, 0.067 mg/L and 0.093 mg/L, respectively; the average recovery was in the range of 85.6%–107.5%. Furthermore, the method verified by HPLC, and the results showed that there was no significant difference between two methods (p > 0.05). Therefore, the strategy based on SERS coupling chemometrics can be served as a promising tool for rapid determination of BMZs residues in food. |
doi_str_mv | 10.1016/j.foodchem.2023.136479 |
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•A strategy was developed to distinguish and quantitate four kinds of BMZs residues in corn.•The Fe3O4@SiO2@Ag-SH substrate was prepared for SERS measurements.•PCA, PLS-DA and FCM models were established to classify and identify CBZ, BN, THM and TBZ.•PLSR and SVR were employed for quantitative analysis of BMZs residues.
In this study, surface-enhanced Raman spectroscopy (SERS) combined with chemometric methods were developed for qualitative and quantitative analysis of four benzimidazole (BMZs) residues in corn. Sulfhydryl functionalized Fe3O4@SiO2@Ag-SH magnetic SERS substrates were prepared to obtain the SERS spectra of four BMZs for chemometric analysis. The partial least squares regression discrimination analysis (PLS-DA) model performed best, with a recall rate upwards 99.17%, and could successfully distinguish four BMZs. Under the support vector machine regression (SVR) model, the detection limits of carbendazim, benomyl, thiophanate-methyl and thiabendazole were 0.055 mg/L, 0.056 mg/L, 0.067 mg/L and 0.093 mg/L, respectively; the average recovery was in the range of 85.6%–107.5%. Furthermore, the method verified by HPLC, and the results showed that there was no significant difference between two methods (p > 0.05). Therefore, the strategy based on SERS coupling chemometrics can be served as a promising tool for rapid determination of BMZs residues in food.</description><identifier>ISSN: 0308-8146</identifier><identifier>EISSN: 1873-7072</identifier><identifier>DOI: 10.1016/j.foodchem.2023.136479</identifier><identifier>PMID: 37263093</identifier><language>eng</language><publisher>England: Elsevier Ltd</publisher><subject>Benzimidazole pesticides ; Benzimidazoles - analysis ; Chemometrics ; Metal Nanoparticles - chemistry ; Silicon Dioxide ; Simultaneous detection ; Spectrum Analysis, Raman - methods ; Sulfhydryl functionalization ; Surface-enhanced Raman spectroscopy ; Thiabendazole - analysis</subject><ispartof>Food chemistry, 2023-10, Vol.424, p.136479-136479, Article 136479</ispartof><rights>2023 Elsevier Ltd</rights><rights>Copyright © 2023 Elsevier Ltd. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c368t-d8f7586b7169b92b5ca144a8dcec4b147ae7d6931c30e665743c59b5410dda5f3</citedby><cites>FETCH-LOGICAL-c368t-d8f7586b7169b92b5ca144a8dcec4b147ae7d6931c30e665743c59b5410dda5f3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/37263093$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Wang, Tianyao</creatorcontrib><creatorcontrib>Xie, Chuangjie</creatorcontrib><creatorcontrib>You, Qian</creatorcontrib><creatorcontrib>Tian, Xingguo</creatorcontrib><creatorcontrib>Xu, Xiaoyan</creatorcontrib><title>Qualitative and quantitative analysis of four benzimidazole residues in food by surface-enhanced Raman spectroscopy combined with chemometrics</title><title>Food chemistry</title><addtitle>Food Chem</addtitle><description>[Display omitted]
•A strategy was developed to distinguish and quantitate four kinds of BMZs residues in corn.•The Fe3O4@SiO2@Ag-SH substrate was prepared for SERS measurements.•PCA, PLS-DA and FCM models were established to classify and identify CBZ, BN, THM and TBZ.•PLSR and SVR were employed for quantitative analysis of BMZs residues.
In this study, surface-enhanced Raman spectroscopy (SERS) combined with chemometric methods were developed for qualitative and quantitative analysis of four benzimidazole (BMZs) residues in corn. Sulfhydryl functionalized Fe3O4@SiO2@Ag-SH magnetic SERS substrates were prepared to obtain the SERS spectra of four BMZs for chemometric analysis. The partial least squares regression discrimination analysis (PLS-DA) model performed best, with a recall rate upwards 99.17%, and could successfully distinguish four BMZs. Under the support vector machine regression (SVR) model, the detection limits of carbendazim, benomyl, thiophanate-methyl and thiabendazole were 0.055 mg/L, 0.056 mg/L, 0.067 mg/L and 0.093 mg/L, respectively; the average recovery was in the range of 85.6%–107.5%. Furthermore, the method verified by HPLC, and the results showed that there was no significant difference between two methods (p > 0.05). Therefore, the strategy based on SERS coupling chemometrics can be served as a promising tool for rapid determination of BMZs residues in food.</description><subject>Benzimidazole pesticides</subject><subject>Benzimidazoles - analysis</subject><subject>Chemometrics</subject><subject>Metal Nanoparticles - chemistry</subject><subject>Silicon Dioxide</subject><subject>Simultaneous detection</subject><subject>Spectrum Analysis, Raman - methods</subject><subject>Sulfhydryl functionalization</subject><subject>Surface-enhanced Raman spectroscopy</subject><subject>Thiabendazole - analysis</subject><issn>0308-8146</issn><issn>1873-7072</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNqFUUtv1DAQthAVXVr-QuUjlyx-xXZuoIoCUiUEas-WHxOtV4m9tZOi7Y_gN5NoWzhyGmnmm5nvgdAVJVtKqPyw3_Y5B7-DccsI41vKpVDdK7ShWvFGEcVeow3hRDeaCnmO3ta6J4QwQvUbdM4Vk5x0fIN-_5jtECc7xUfANgX8MNs0_WvY4VhjxbnHfZ4LdpCe4hiDfcoD4AI1hhkqjgmvdLA74jqX3npoIO1s8hDwTzvahOsB_FRy9flwxD6PLqZl9itOO7yKyCNMJfp6ic56O1R491wv0P3N57vrr83t9y_frj_dNp5LPTVB96rV0ikqO9cx13pLhbA6ePDCUaEsqCA7Tj0nIGWrBPdt51pBSQi27fkFen-6eyj5YVEwmTFWD8NgE-S5GqYZ40pTJhaoPEH9Qr8W6M2hxNGWo6HErFmYvXnJwqxZmFMWy-LV84_ZjRD-rr2YvwA-ngCwKH2MUEz1EVbTYlncMiHH__34A8S7og8</recordid><startdate>20231030</startdate><enddate>20231030</enddate><creator>Wang, Tianyao</creator><creator>Xie, Chuangjie</creator><creator>You, Qian</creator><creator>Tian, Xingguo</creator><creator>Xu, Xiaoyan</creator><general>Elsevier Ltd</general><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20231030</creationdate><title>Qualitative and quantitative analysis of four benzimidazole residues in food by surface-enhanced Raman spectroscopy combined with chemometrics</title><author>Wang, Tianyao ; Xie, Chuangjie ; You, Qian ; Tian, Xingguo ; Xu, Xiaoyan</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c368t-d8f7586b7169b92b5ca144a8dcec4b147ae7d6931c30e665743c59b5410dda5f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Benzimidazole pesticides</topic><topic>Benzimidazoles - analysis</topic><topic>Chemometrics</topic><topic>Metal Nanoparticles - chemistry</topic><topic>Silicon Dioxide</topic><topic>Simultaneous detection</topic><topic>Spectrum Analysis, Raman - methods</topic><topic>Sulfhydryl functionalization</topic><topic>Surface-enhanced Raman spectroscopy</topic><topic>Thiabendazole - analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Tianyao</creatorcontrib><creatorcontrib>Xie, Chuangjie</creatorcontrib><creatorcontrib>You, Qian</creatorcontrib><creatorcontrib>Tian, Xingguo</creatorcontrib><creatorcontrib>Xu, Xiaoyan</creatorcontrib><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Food chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Tianyao</au><au>Xie, Chuangjie</au><au>You, Qian</au><au>Tian, Xingguo</au><au>Xu, Xiaoyan</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Qualitative and quantitative analysis of four benzimidazole residues in food by surface-enhanced Raman spectroscopy combined with chemometrics</atitle><jtitle>Food chemistry</jtitle><addtitle>Food Chem</addtitle><date>2023-10-30</date><risdate>2023</risdate><volume>424</volume><spage>136479</spage><epage>136479</epage><pages>136479-136479</pages><artnum>136479</artnum><issn>0308-8146</issn><eissn>1873-7072</eissn><abstract>[Display omitted]
•A strategy was developed to distinguish and quantitate four kinds of BMZs residues in corn.•The Fe3O4@SiO2@Ag-SH substrate was prepared for SERS measurements.•PCA, PLS-DA and FCM models were established to classify and identify CBZ, BN, THM and TBZ.•PLSR and SVR were employed for quantitative analysis of BMZs residues.
In this study, surface-enhanced Raman spectroscopy (SERS) combined with chemometric methods were developed for qualitative and quantitative analysis of four benzimidazole (BMZs) residues in corn. Sulfhydryl functionalized Fe3O4@SiO2@Ag-SH magnetic SERS substrates were prepared to obtain the SERS spectra of four BMZs for chemometric analysis. The partial least squares regression discrimination analysis (PLS-DA) model performed best, with a recall rate upwards 99.17%, and could successfully distinguish four BMZs. Under the support vector machine regression (SVR) model, the detection limits of carbendazim, benomyl, thiophanate-methyl and thiabendazole were 0.055 mg/L, 0.056 mg/L, 0.067 mg/L and 0.093 mg/L, respectively; the average recovery was in the range of 85.6%–107.5%. Furthermore, the method verified by HPLC, and the results showed that there was no significant difference between two methods (p > 0.05). Therefore, the strategy based on SERS coupling chemometrics can be served as a promising tool for rapid determination of BMZs residues in food.</abstract><cop>England</cop><pub>Elsevier Ltd</pub><pmid>37263093</pmid><doi>10.1016/j.foodchem.2023.136479</doi><tpages>1</tpages></addata></record> |
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subjects | Benzimidazole pesticides Benzimidazoles - analysis Chemometrics Metal Nanoparticles - chemistry Silicon Dioxide Simultaneous detection Spectrum Analysis, Raman - methods Sulfhydryl functionalization Surface-enhanced Raman spectroscopy Thiabendazole - analysis |
title | Qualitative and quantitative analysis of four benzimidazole residues in food by surface-enhanced Raman spectroscopy combined with chemometrics |
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