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Ion mobility-mass spectrometry to extend analytical performance in the determination of ergot alkaloids in cereal samples

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Τίτλος: Ion mobility-mass spectrometry to extend analytical performance in the determination of ergot alkaloids in cereal samples
Συγγραφείς: Carbonell-Rozas L., Hernandez-Mesa M., Righetti L., Monteau F., Lara F. J., Gamiz-Gracia L., Bizec B. L., Dall'Asta C., Garcia-Campana A. M., Dervilly G.
Συνεισφορές: Carbonell-Rozas, L., Hernandez-Mesa, M., Righetti, L., Monteau, F., Lara, F. J., Gamiz-Gracia, L., Bizec, B. L., Dall'Asta, C., Garcia-Campana, A. M., Dervilly, G.
Στοιχεία εκδότη: Elsevier B.V.
Έτος έκδοσης: 2022
Συλλογή: Università di Parma: CINECA IRIS
Θεματικοί όροι: Cereal sample, Collision cross section, Ergot alkaloid, Ion mobility-mass spectrometry, Travelling wave ion mobility spectrometry, Edible Grain, Ergotamine, Ion Mobility Spectrometry, Mass Spectrometry, Ergot Alkaloids
Περιγραφή: This work evaluates the potential of ion mobility spectrometry (IMS) to improve the analytical performance of current liquid chromatography-mass spectrometry (LC-MS) workflows applied to the determination of ergot alkaloids (EAs) in cereal samples. Collision cross section (CCS) values for EA epimers are reported for the first time to contribute to their unambiguous identification. Additionally, CCS values have been inter-laboratory cross-validated and compared with CCS values predicted by machine-learning models. Slight differences were observed in terms of CCS values for ergotamine, ergosine and ergocristine and their corresponding epimers (from 3.3 to 4%), being sufficient to achieve a satisfactory peak-to-peak resolution for their unequivocal identification. A LC-travelling wave ion mobility (TWIM)-MS method has been developed for the analysis of EAs in barley and wheat samples. Signal-to-noise ratio (S/N) was improved between 2.5 and 4-fold compared to the analog LC-TOF-MS method. The quality of the extracted ion chromatograms was also improved by using IMS.
Τύπος εγγράφου: article in journal/newspaper
Γλώσσα: English
Relation: info:eu-repo/semantics/altIdentifier/wos/WOS:000870496400004; volume:1682; firstpage:463502; journal:JOURNAL OF CHROMATOGRAPHY A; https://hdl.handle.net/11381/2931232
DOI: 10.1016/j.chroma.2022.463502
Διαθεσιμότητα: https://hdl.handle.net/11381/2931232
https://doi.org/10.1016/j.chroma.2022.463502
Αριθμός Καταχώρησης: edsbas.87DBEFAC
Βάση Δεδομένων: BASE
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  – Url: https://hdl.handle.net/11381/2931232#
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  Label: Title
  Group: Ti
  Data: Ion mobility-mass spectrometry to extend analytical performance in the determination of ergot alkaloids in cereal samples
– Name: Author
  Label: Authors
  Group: Au
  Data: <searchLink fieldCode="AR" term="%22Carbonell-Rozas+L%2E%22">Carbonell-Rozas L.</searchLink><br /><searchLink fieldCode="AR" term="%22Hernandez-Mesa+M%2E%22">Hernandez-Mesa M.</searchLink><br /><searchLink fieldCode="AR" term="%22Righetti+L%2E%22">Righetti L.</searchLink><br /><searchLink fieldCode="AR" term="%22Monteau+F%2E%22">Monteau F.</searchLink><br /><searchLink fieldCode="AR" term="%22Lara+F%2E+J%2E%22">Lara F. J.</searchLink><br /><searchLink fieldCode="AR" term="%22Gamiz-Gracia+L%2E%22">Gamiz-Gracia L.</searchLink><br /><searchLink fieldCode="AR" term="%22Bizec+B%2E+L%2E%22">Bizec B. L.</searchLink><br /><searchLink fieldCode="AR" term="%22Dall'Asta+C%2E%22">Dall'Asta C.</searchLink><br /><searchLink fieldCode="AR" term="%22Garcia-Campana+A%2E+M%2E%22">Garcia-Campana A. M.</searchLink><br /><searchLink fieldCode="AR" term="%22Dervilly+G%2E%22">Dervilly G.</searchLink>
– Name: Author
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  Group: Au
  Data: Carbonell-Rozas, L.<br />Hernandez-Mesa, M.<br />Righetti, L.<br />Monteau, F.<br />Lara, F. J.<br />Gamiz-Gracia, L.<br />Bizec, B. L.<br />Dall'Asta, C.<br />Garcia-Campana, A. M.<br />Dervilly, G.
– Name: Publisher
  Label: Publisher Information
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  Data: Elsevier B.V.
– Name: DatePubCY
  Label: Publication Year
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  Data: 2022
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  Data: Università di Parma: CINECA IRIS
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  Data: <searchLink fieldCode="DE" term="%22Cereal+sample%22">Cereal sample</searchLink><br /><searchLink fieldCode="DE" term="%22Collision+cross+section%22">Collision cross section</searchLink><br /><searchLink fieldCode="DE" term="%22Ergot+alkaloid%22">Ergot alkaloid</searchLink><br /><searchLink fieldCode="DE" term="%22Ion+mobility-mass+spectrometry%22">Ion mobility-mass spectrometry</searchLink><br /><searchLink fieldCode="DE" term="%22Travelling+wave+ion+mobility+spectrometry%22">Travelling wave ion mobility spectrometry</searchLink><br /><searchLink fieldCode="DE" term="%22Edible+Grain%22">Edible Grain</searchLink><br /><searchLink fieldCode="DE" term="%22Ergotamine%22">Ergotamine</searchLink><br /><searchLink fieldCode="DE" term="%22Ion+Mobility+Spectrometry%22">Ion Mobility Spectrometry</searchLink><br /><searchLink fieldCode="DE" term="%22Mass+Spectrometry%22">Mass Spectrometry</searchLink><br /><searchLink fieldCode="DE" term="%22Ergot+Alkaloids%22">Ergot Alkaloids</searchLink>
– Name: Abstract
  Label: Description
  Group: Ab
  Data: This work evaluates the potential of ion mobility spectrometry (IMS) to improve the analytical performance of current liquid chromatography-mass spectrometry (LC-MS) workflows applied to the determination of ergot alkaloids (EAs) in cereal samples. Collision cross section (CCS) values for EA epimers are reported for the first time to contribute to their unambiguous identification. Additionally, CCS values have been inter-laboratory cross-validated and compared with CCS values predicted by machine-learning models. Slight differences were observed in terms of CCS values for ergotamine, ergosine and ergocristine and their corresponding epimers (from 3.3 to 4%), being sufficient to achieve a satisfactory peak-to-peak resolution for their unequivocal identification. A LC-travelling wave ion mobility (TWIM)-MS method has been developed for the analysis of EAs in barley and wheat samples. Signal-to-noise ratio (S/N) was improved between 2.5 and 4-fold compared to the analog LC-TOF-MS method. The quality of the extracted ion chromatograms was also improved by using IMS.
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  Data: article in journal/newspaper
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  Label: Relation
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  Data: info:eu-repo/semantics/altIdentifier/wos/WOS:000870496400004; volume:1682; firstpage:463502; journal:JOURNAL OF CHROMATOGRAPHY A; https://hdl.handle.net/11381/2931232
– Name: DOI
  Label: DOI
  Group: ID
  Data: 10.1016/j.chroma.2022.463502
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  Data: https://hdl.handle.net/11381/2931232<br />https://doi.org/10.1016/j.chroma.2022.463502
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      – SubjectFull: Cereal sample
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