PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana che...

Autores
Fabris, Alessandra; Biasioli, Franco; Granitto, Pablo Miguel; Aprea, Eugenio; Cappellin, Luca; Schuhfried, Erna; Soukoulis, Christos; Märk, Tilmann D.; Gasperi, Flavia; Endrizzi, Isabella
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Proton transfer reaction-mass spectrometry (PTR-MS), a direct injection mass spectrometric technique based on an efficient implementation of chemical ionisation, allows for fast and high-sensitivity monitoring of volatile organic compounds (VOCs). The first implementations of PTR-MS, based on quadrupole mass analyzers (PTR-Quad-MS), provided only the nominal mass of the ions measured and thus little chemical information. To partially overcome these limitations and improve the analytical capability of this technique, the coupling of proton transfer reaction ionisation with a time-of-flight mass analyser has been recently realised and commercialised (PTR-TOF-MS). Here we discuss the very first application of this new instrument to agroindustrial problems and dairy science in particular. As a case study, we show here that the rapid PTR-TOF-MS fingerprinting coupled with data-miningmethods can quickly verify whether the storage condition of themilk affects the final quality of cheese and we provide relevant examples of better compound identification in comparison with the previous PTR-MS implementations. In particular, ‘Trentingrana’ cheese produced by four different procedures for milk storage are compared both in the case of winter and summer production. It is indeed possible to set classification models with low prediction errors and to identify the chemical formula of the ion peaks used for classification, providing evidence of the role that this novel spectrometric technique can play for fundamental and applied agro-industrial themes.
Fil: Fabris, Alessandra. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Biasioli, Franco. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Granitto, Pablo Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Centro Internacional Franco Argentino de Ciencias de la Información y Sistemas; Argentina. Universidad Nacional de Rosario; Argentina
Fil: Aprea, Eugenio. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Cappellin, Luca. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia. Universidad de Innsbruck; Austria
Fil: Schuhfried, Erna. Universidad de Innsbruck; Austria
Fil: Soukoulis, Christos. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Märk, Tilmann D.. Universidad de Innsbruck; Austria
Fil: Gasperi, Flavia. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Endrizzi, Isabella. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Materia
Proton Transfer Reaction Mass Spectrometry
Time of Flight
Trentingrana
Volatile Compounds
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/15182
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/15182
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheeseFabris, AlessandraBiasioli, FrancoGranitto, Pablo MiguelAprea, EugenioCappellin, LucaSchuhfried, ErnaSoukoulis, ChristosMärk, Tilmann D.Gasperi, FlaviaEndrizzi, IsabellaProton Transfer Reaction Mass SpectrometryTime of FlightTrentingranaVolatile Compoundshttps://purl.org/becyt/ford/4.4https://purl.org/becyt/ford/4Proton transfer reaction-mass spectrometry (PTR-MS), a direct injection mass spectrometric technique based on an efficient implementation of chemical ionisation, allows for fast and high-sensitivity monitoring of volatile organic compounds (VOCs). The first implementations of PTR-MS, based on quadrupole mass analyzers (PTR-Quad-MS), provided only the nominal mass of the ions measured and thus little chemical information. To partially overcome these limitations and improve the analytical capability of this technique, the coupling of proton transfer reaction ionisation with a time-of-flight mass analyser has been recently realised and commercialised (PTR-TOF-MS). Here we discuss the very first application of this new instrument to agroindustrial problems and dairy science in particular. As a case study, we show here that the rapid PTR-TOF-MS fingerprinting coupled with data-miningmethods can quickly verify whether the storage condition of themilk affects the final quality of cheese and we provide relevant examples of better compound identification in comparison with the previous PTR-MS implementations. In particular, ‘Trentingrana’ cheese produced by four different procedures for milk storage are compared both in the case of winter and summer production. It is indeed possible to set classification models with low prediction errors and to identify the chemical formula of the ion peaks used for classification, providing evidence of the role that this novel spectrometric technique can play for fundamental and applied agro-industrial themes.Fil: Fabris, Alessandra. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; ItaliaFil: Biasioli, Franco. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; ItaliaFil: Granitto, Pablo Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Centro Internacional Franco Argentino de Ciencias de la Información y Sistemas; Argentina. Universidad Nacional de Rosario; ArgentinaFil: Aprea, Eugenio. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; ItaliaFil: Cappellin, Luca. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia. Universidad de Innsbruck; AustriaFil: Schuhfried, Erna. Universidad de Innsbruck; AustriaFil: Soukoulis, Christos. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; ItaliaFil: Märk, Tilmann D.. Universidad de Innsbruck; AustriaFil: Gasperi, Flavia. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; ItaliaFil: Endrizzi, Isabella. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; ItaliaWiley2010-09info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/15182Fabris, Alessandra; Biasioli, Franco; Granitto, Pablo Miguel; Aprea, Eugenio; Cappellin, Luca; et al.; PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese; Wiley; Journal Of Mass Spectrometry; 45; 9; 9-2010; 1065-10741076-5174enginfo:eu-repo/semantics/altIdentifier/doi/10.1002/jms.1797info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/jms.1797/abstractinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-03T09:45:57Zoai:ri.conicet.gov.ar:11336/15182instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-09-03 09:45:57.523CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
title PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
spellingShingle PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
Fabris, Alessandra
Proton Transfer Reaction Mass Spectrometry
Time of Flight
Trentingrana
Volatile Compounds
title_short PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
title_full PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
title_fullStr PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
title_full_unstemmed PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
title_sort PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese
dc.creator.none.fl_str_mv Fabris, Alessandra
Biasioli, Franco
Granitto, Pablo Miguel
Aprea, Eugenio
Cappellin, Luca
Schuhfried, Erna
Soukoulis, Christos
Märk, Tilmann D.
Gasperi, Flavia
Endrizzi, Isabella
author Fabris, Alessandra
author_facet Fabris, Alessandra
Biasioli, Franco
Granitto, Pablo Miguel
Aprea, Eugenio
Cappellin, Luca
Schuhfried, Erna
Soukoulis, Christos
Märk, Tilmann D.
Gasperi, Flavia
Endrizzi, Isabella
author_role author
author2 Biasioli, Franco
Granitto, Pablo Miguel
Aprea, Eugenio
Cappellin, Luca
Schuhfried, Erna
Soukoulis, Christos
Märk, Tilmann D.
Gasperi, Flavia
Endrizzi, Isabella
author2_role author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Proton Transfer Reaction Mass Spectrometry
Time of Flight
Trentingrana
Volatile Compounds
topic Proton Transfer Reaction Mass Spectrometry
Time of Flight
Trentingrana
Volatile Compounds
purl_subject.fl_str_mv https://purl.org/becyt/ford/4.4
https://purl.org/becyt/ford/4
dc.description.none.fl_txt_mv Proton transfer reaction-mass spectrometry (PTR-MS), a direct injection mass spectrometric technique based on an efficient implementation of chemical ionisation, allows for fast and high-sensitivity monitoring of volatile organic compounds (VOCs). The first implementations of PTR-MS, based on quadrupole mass analyzers (PTR-Quad-MS), provided only the nominal mass of the ions measured and thus little chemical information. To partially overcome these limitations and improve the analytical capability of this technique, the coupling of proton transfer reaction ionisation with a time-of-flight mass analyser has been recently realised and commercialised (PTR-TOF-MS). Here we discuss the very first application of this new instrument to agroindustrial problems and dairy science in particular. As a case study, we show here that the rapid PTR-TOF-MS fingerprinting coupled with data-miningmethods can quickly verify whether the storage condition of themilk affects the final quality of cheese and we provide relevant examples of better compound identification in comparison with the previous PTR-MS implementations. In particular, ‘Trentingrana’ cheese produced by four different procedures for milk storage are compared both in the case of winter and summer production. It is indeed possible to set classification models with low prediction errors and to identify the chemical formula of the ion peaks used for classification, providing evidence of the role that this novel spectrometric technique can play for fundamental and applied agro-industrial themes.
Fil: Fabris, Alessandra. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Biasioli, Franco. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Granitto, Pablo Miguel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Centro Internacional Franco Argentino de Ciencias de la Información y Sistemas; Argentina. Universidad Nacional de Rosario; Argentina
Fil: Aprea, Eugenio. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Cappellin, Luca. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia. Universidad de Innsbruck; Austria
Fil: Schuhfried, Erna. Universidad de Innsbruck; Austria
Fil: Soukoulis, Christos. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Märk, Tilmann D.. Universidad de Innsbruck; Austria
Fil: Gasperi, Flavia. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
Fil: Endrizzi, Isabella. Instituto Agrario San Michele All'adige Fondazione Edmund Mach; Italia
description Proton transfer reaction-mass spectrometry (PTR-MS), a direct injection mass spectrometric technique based on an efficient implementation of chemical ionisation, allows for fast and high-sensitivity monitoring of volatile organic compounds (VOCs). The first implementations of PTR-MS, based on quadrupole mass analyzers (PTR-Quad-MS), provided only the nominal mass of the ions measured and thus little chemical information. To partially overcome these limitations and improve the analytical capability of this technique, the coupling of proton transfer reaction ionisation with a time-of-flight mass analyser has been recently realised and commercialised (PTR-TOF-MS). Here we discuss the very first application of this new instrument to agroindustrial problems and dairy science in particular. As a case study, we show here that the rapid PTR-TOF-MS fingerprinting coupled with data-miningmethods can quickly verify whether the storage condition of themilk affects the final quality of cheese and we provide relevant examples of better compound identification in comparison with the previous PTR-MS implementations. In particular, ‘Trentingrana’ cheese produced by four different procedures for milk storage are compared both in the case of winter and summer production. It is indeed possible to set classification models with low prediction errors and to identify the chemical formula of the ion peaks used for classification, providing evidence of the role that this novel spectrometric technique can play for fundamental and applied agro-industrial themes.
publishDate 2010
dc.date.none.fl_str_mv 2010-09
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/15182
Fabris, Alessandra; Biasioli, Franco; Granitto, Pablo Miguel; Aprea, Eugenio; Cappellin, Luca; et al.; PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese; Wiley; Journal Of Mass Spectrometry; 45; 9; 9-2010; 1065-1074
1076-5174
url http://hdl.handle.net/11336/15182
identifier_str_mv Fabris, Alessandra; Biasioli, Franco; Granitto, Pablo Miguel; Aprea, Eugenio; Cappellin, Luca; et al.; PTR-TOF-MS and data-mining methods for rapid characterisation of agro-industrial samples: influence of milk storage conditions on the volatile compounds profile of Trentingrana cheese; Wiley; Journal Of Mass Spectrometry; 45; 9; 9-2010; 1065-1074
1076-5174
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1002/jms.1797
info:eu-repo/semantics/altIdentifier/url/http://onlinelibrary.wiley.com/doi/10.1002/jms.1797/abstract
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Wiley
publisher.none.fl_str_mv Wiley
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.13397

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