Accurate mass screening of pesticide residues in wine by modified QuEChERS and LC-hybrid LTQ/Orbitrap-MS
•Method development, validation for multiclass pesticide determination in white/red wine.•QuEChERS extraction combined with UPLC-Orbitrap-MS was applied for the first time.•High performance of the method fulfilling validation requirements.•Expanded uncertainties were
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| Veröffentlicht in: | Food chemistry 2021-10, Vol.360, p.130008-130008, Article 130008 |
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| container_title | Food chemistry |
| container_volume | 360 |
| creator | Kosma, Christina I. Koloka, Ourania L. Albanis, Triantafyllos A. Konstantinou, Ioannis K. |
| description | •Method development, validation for multiclass pesticide determination in white/red wine.•QuEChERS extraction combined with UPLC-Orbitrap-MS was applied for the first time.•High performance of the method fulfilling validation requirements.•Expanded uncertainties were |
| doi_str_mv | 10.1016/j.foodchem.2021.130008 |
| format | Article |
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In this research, a quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction procedure and Ultra-High Performance Liquid Chromatography-Orbitrap-Mass Spectrometry (UHPLC-Orbitrap-MS), were combined to obtain a sensitive and rapid method for the determination of multiclass pesticides in white and red wines. The optimization strategy involved the selection of buffering conditions, by applying different QuEChERS procedures and sorbents for the cleanup step in order to achieve acceptably high recoveries and low co-extractives in the final extracts. Identification was based on both accurate mass and retention time, while further confirmation was achieved by MS fragmentation. The method was evaluated in terms of linearity, recovery, precision, limit of detection (LOD) and quantification (LOQ), matrix effects (ME) and expanded uncertainty. The validated method was successfully applied to real samples (home-made and commercial) revealing the presence of two selected fungicides, in relatively low levels compared to the MRLs defined by the EU for vinification grapes.</description><identifier>ISSN: 0308-8146</identifier><identifier>EISSN: 1873-7072</identifier><identifier>DOI: 10.1016/j.foodchem.2021.130008</identifier><identifier>PMID: 34000630</identifier><language>eng</language><publisher>England: Elsevier Ltd</publisher><subject>Analytical methodology ; Liquid chromatography–LTQ Orbitrap mass spectrometry ; Pesticides ; QuEChERS ; Uncertainty ; Wine</subject><ispartof>Food chemistry, 2021-10, Vol.360, p.130008-130008, Article 130008</ispartof><rights>2021 Elsevier Ltd</rights><rights>Copyright © 2021 Elsevier Ltd. All rights reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c368t-98072d8f5fa9831fee69e08b1dfa025af2383a89c81be035b29cca1602f1b13</citedby><cites>FETCH-LOGICAL-c368t-98072d8f5fa9831fee69e08b1dfa025af2383a89c81be035b29cca1602f1b13</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.foodchem.2021.130008$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/34000630$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Kosma, Christina I.</creatorcontrib><creatorcontrib>Koloka, Ourania L.</creatorcontrib><creatorcontrib>Albanis, Triantafyllos A.</creatorcontrib><creatorcontrib>Konstantinou, Ioannis K.</creatorcontrib><title>Accurate mass screening of pesticide residues in wine by modified QuEChERS and LC-hybrid LTQ/Orbitrap-MS</title><title>Food chemistry</title><addtitle>Food Chem</addtitle><description>•Method development, validation for multiclass pesticide determination in white/red wine.•QuEChERS extraction combined with UPLC-Orbitrap-MS was applied for the first time.•High performance of the method fulfilling validation requirements.•Expanded uncertainties were <43.6% and HorRat values <0.8 in all cases.•Method was applied successfully in different varieties wine samples.
In this research, a quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction procedure and Ultra-High Performance Liquid Chromatography-Orbitrap-Mass Spectrometry (UHPLC-Orbitrap-MS), were combined to obtain a sensitive and rapid method for the determination of multiclass pesticides in white and red wines. The optimization strategy involved the selection of buffering conditions, by applying different QuEChERS procedures and sorbents for the cleanup step in order to achieve acceptably high recoveries and low co-extractives in the final extracts. Identification was based on both accurate mass and retention time, while further confirmation was achieved by MS fragmentation. The method was evaluated in terms of linearity, recovery, precision, limit of detection (LOD) and quantification (LOQ), matrix effects (ME) and expanded uncertainty. The validated method was successfully applied to real samples (home-made and commercial) revealing the presence of two selected fungicides, in relatively low levels compared to the MRLs defined by the EU for vinification grapes.</description><subject>Analytical methodology</subject><subject>Liquid chromatography–LTQ Orbitrap mass spectrometry</subject><subject>Pesticides</subject><subject>QuEChERS</subject><subject>Uncertainty</subject><subject>Wine</subject><issn>0308-8146</issn><issn>1873-7072</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><recordid>eNqFkMtOwzAQRS0EoqXwC8hLNmnHNkmdHVVVHlIRgrK3HHtMXTVJsRNQ_x6jAltWM4tz53EIuWQwZsCKyWbs2taaNdZjDpyNmQAAeUSGTE5FNoUpPyZDECAzya6LATmLcZMIDkyekoG4Tn0hYEjWM2P6oDuktY6RRhMQG9-80dbRHcbOG2-RBoze9hipb-inb5BWe1q31juPlj73i_l68bKiurF0Oc_W-yr41L0-T55C5bugd9nj6pycOL2NePFTR2R1u3id32fLp7uH-WyZGVHILitlOt1KlztdSsEcYlEiyIpZp4Hn2nEhhZalkaxCEHnFS2M0K4A7VjExIleHqbvQvqeDO1X7aHC71Q22fVQ851KyaZFDQosDakIbY0CndsHXOuwVA_XtWG3Ur2P17VgdHKfg5c-OvqrR_sV-pSbg5gBg-vPDY1DReGwMWh_QdMq2_r8dX9m6j8g</recordid><startdate>20211030</startdate><enddate>20211030</enddate><creator>Kosma, Christina I.</creator><creator>Koloka, Ourania L.</creator><creator>Albanis, Triantafyllos A.</creator><creator>Konstantinou, Ioannis K.</creator><general>Elsevier Ltd</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20211030</creationdate><title>Accurate mass screening of pesticide residues in wine by modified QuEChERS and LC-hybrid LTQ/Orbitrap-MS</title><author>Kosma, Christina I. ; Koloka, Ourania L. ; Albanis, Triantafyllos A. ; Konstantinou, Ioannis K.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c368t-98072d8f5fa9831fee69e08b1dfa025af2383a89c81be035b29cca1602f1b13</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Analytical methodology</topic><topic>Liquid chromatography–LTQ Orbitrap mass spectrometry</topic><topic>Pesticides</topic><topic>QuEChERS</topic><topic>Uncertainty</topic><topic>Wine</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kosma, Christina I.</creatorcontrib><creatorcontrib>Koloka, Ourania L.</creatorcontrib><creatorcontrib>Albanis, Triantafyllos A.</creatorcontrib><creatorcontrib>Konstantinou, Ioannis K.</creatorcontrib><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>Kosma, Christina I.</au><au>Koloka, Ourania L.</au><au>Albanis, Triantafyllos A.</au><au>Konstantinou, Ioannis K.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Accurate mass screening of pesticide residues in wine by modified QuEChERS and LC-hybrid LTQ/Orbitrap-MS</atitle><jtitle>Food chemistry</jtitle><addtitle>Food Chem</addtitle><date>2021-10-30</date><risdate>2021</risdate><volume>360</volume><spage>130008</spage><epage>130008</epage><pages>130008-130008</pages><artnum>130008</artnum><issn>0308-8146</issn><eissn>1873-7072</eissn><abstract>•Method development, validation for multiclass pesticide determination in white/red wine.•QuEChERS extraction combined with UPLC-Orbitrap-MS was applied for the first time.•High performance of the method fulfilling validation requirements.•Expanded uncertainties were <43.6% and HorRat values <0.8 in all cases.•Method was applied successfully in different varieties wine samples.
In this research, a quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction procedure and Ultra-High Performance Liquid Chromatography-Orbitrap-Mass Spectrometry (UHPLC-Orbitrap-MS), were combined to obtain a sensitive and rapid method for the determination of multiclass pesticides in white and red wines. The optimization strategy involved the selection of buffering conditions, by applying different QuEChERS procedures and sorbents for the cleanup step in order to achieve acceptably high recoveries and low co-extractives in the final extracts. Identification was based on both accurate mass and retention time, while further confirmation was achieved by MS fragmentation. The method was evaluated in terms of linearity, recovery, precision, limit of detection (LOD) and quantification (LOQ), matrix effects (ME) and expanded uncertainty. The validated method was successfully applied to real samples (home-made and commercial) revealing the presence of two selected fungicides, in relatively low levels compared to the MRLs defined by the EU for vinification grapes.</abstract><cop>England</cop><pub>Elsevier Ltd</pub><pmid>34000630</pmid><doi>10.1016/j.foodchem.2021.130008</doi><tpages>1</tpages></addata></record> |
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| source | Access via ScienceDirect (Elsevier) |
| subjects | Analytical methodology Liquid chromatography–LTQ Orbitrap mass spectrometry Pesticides QuEChERS Uncertainty Wine |
| title | Accurate mass screening of pesticide residues in wine by modified QuEChERS and LC-hybrid LTQ/Orbitrap-MS |
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