A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water

Among natural freshwater pollutants, cyanotoxins, mycotoxins, and phytotoxins are the most important and less studied. Their identification in surface water is challenging especially cause of the lack of standards and established analytical parameters. Most target methods focus one or a single group...

Descripción completa

Detalles Bibliográficos
Autores: Picardo, Massimo, Núñez Burcio, Oscar, Farré, Marinella
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2021
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/176378
Acceso en línea:https://hdl.handle.net/2445/176378
Access Level:acceso abierto
Palabra clave:Toxines
Ecologia d'aigua dolça
Espectrometria de masses
Toxins
Freshwater ecology
Mass spectrometry
id ES_4d329dc4c5e60b679a4e806c3a71ee79
oai_identifier_str oai:diposit.ub.edu:2445/176378
network_acronym_str ES
network_name_str España
repository_id_str
spelling A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface waterPicardo, MassimoNúñez Burcio, OscarFarré, MarinellaToxinesEcologia d'aigua dolçaEspectrometria de massesToxinsFreshwater ecologyMass spectrometryAmong natural freshwater pollutants, cyanotoxins, mycotoxins, and phytotoxins are the most important and less studied. Their identification in surface water is challenging especially cause of the lack of standards and established analytical parameters. Most target methods focus one or a single group of compounds with similar characteristics. Here we present an AIF fast method for the tentative identification of natural toxins in water. Respect to the previous method [1], it offers higher performances for the acquisition of unknown compounds at low levels for higher number of analytes.The key aspects of the method are: -The qualitative screening DIA-AIF workflow using Q Exactive Orbitrap. Both targeted and suspect screening bases have been combined with online databases and suspect list to retrieve candidates as suspect natural toxins and their metabolites or degradation products. -The in-silico analysis of mass spectrums allowed a fast structural characterization. -The workflow has been finally applied to real samples coming from the Czech Republic, Italy, and Spain allowing the determination of 17 suspect natural toxins, 4 of them confirmed. None toxin passed the limit of 1 µg/L taken from the legislation applied for microcystin LR and arbitrarily extended to all toxins.Elsevier2021info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/176378Articles publicats en revistes (Enginyeria Química i Química Analítica)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció del document publicat a: https://doi.org/10.1016/j.mex.2021.101286MethodsX, 2021, vol. 8, p. 101286https://doi.org/10.1016/j.mex.2021.101286info:eu-repo/grantAgreement/EC/H2020/722493cc-by-nc-nd (c) Picardo, Massimo et al., 2021http://creativecommons.org/licenses/by-nc-nd/3.0/es/info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/1763782026-05-27T06:46:51Z
dc.title.none.fl_str_mv A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
title A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
spellingShingle A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
Picardo, Massimo
Toxines
Ecologia d'aigua dolça
Espectrometria de masses
Toxins
Freshwater ecology
Mass spectrometry
title_short A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
title_full A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
title_fullStr A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
title_full_unstemmed A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
title_sort A data independent acquisition all ion fragmentation mode tool for the suspect screening of natural toxins in surface water
dc.creator.none.fl_str_mv Picardo, Massimo
Núñez Burcio, Oscar
Farré, Marinella
author Picardo, Massimo
author_facet Picardo, Massimo
Núñez Burcio, Oscar
Farré, Marinella
author_role author
author2 Núñez Burcio, Oscar
Farré, Marinella
author2_role author
author
dc.subject.none.fl_str_mv Toxines
Ecologia d'aigua dolça
Espectrometria de masses
Toxins
Freshwater ecology
Mass spectrometry
topic Toxines
Ecologia d'aigua dolça
Espectrometria de masses
Toxins
Freshwater ecology
Mass spectrometry
description Among natural freshwater pollutants, cyanotoxins, mycotoxins, and phytotoxins are the most important and less studied. Their identification in surface water is challenging especially cause of the lack of standards and established analytical parameters. Most target methods focus one or a single group of compounds with similar characteristics. Here we present an AIF fast method for the tentative identification of natural toxins in water. Respect to the previous method [1], it offers higher performances for the acquisition of unknown compounds at low levels for higher number of analytes.The key aspects of the method are: -The qualitative screening DIA-AIF workflow using Q Exactive Orbitrap. Both targeted and suspect screening bases have been combined with online databases and suspect list to retrieve candidates as suspect natural toxins and their metabolites or degradation products. -The in-silico analysis of mass spectrums allowed a fast structural characterization. -The workflow has been finally applied to real samples coming from the Czech Republic, Italy, and Spain allowing the determination of 17 suspect natural toxins, 4 of them confirmed. None toxin passed the limit of 1 µg/L taken from the legislation applied for microcystin LR and arbitrarily extended to all toxins.
publishDate 2021
dc.date.none.fl_str_mv 2021
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/176378
url https://hdl.handle.net/2445/176378
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1016/j.mex.2021.101286
MethodsX, 2021, vol. 8, p. 101286
https://doi.org/10.1016/j.mex.2021.101286
info:eu-repo/grantAgreement/EC/H2020/722493
dc.rights.none.fl_str_mv cc-by-nc-nd (c) Picardo, Massimo et al., 2021
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by-nc-nd (c) Picardo, Massimo et al., 2021
http://creativecommons.org/licenses/by-nc-nd/3.0/es/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier
publisher.none.fl_str_mv Elsevier
dc.source.none.fl_str_mv Articles publicats en revistes (Enginyeria Química i Química Analítica)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
_version_ 1869407676172075008
score 15,300719

Similares en LA Referencia