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Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry

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Resumo:Mushrooms are known all over the world both due to the remarkable gastronomic value of some species and for severe intoxications mediated by other species that are frequently difficult to distinguish from the edible ones, by the common user. Therefore, it is important to develop strategies to discover molecules that can identify mushroom species. In the present work, two GC–MS methodologies were applied in the chemical characterization of 22 mushroom species (12 edible, 3 toxic and 7 potentially toxic) – a multi-target procedure to simultaneously determine amino acids (AA), fatty acids (FA) and sterols by previous derivatization procedure with MSTFA, and a Head Space-Solid Phase Microextraction method to determine volatiles. For both methods, two approaches to data analysis were used: (I) targeted analysis, to identify and quantify AA, FA sterols and volatiles; (II) untargeted analysis, including Principal Component Analysis and Partial Least Square Discriminant Analysis, in order to identify metabolites/metabolite pattern with potential species identification and/or differentiation. Multi-target experiment allowed the identification and quantification of twenty one primary metabolites (9 AA, 11 FA and 1 sterol). Furthermore, through untargeted data analysis, it was possible to identify a 5- carbon sugar alcohol structure molecule, which was tentatively identified as xylitol or adonitol, with potential to be a species-marker of the edible Suillus bovinus mushrooms. Volatile profiling studies resulted in the identification of the main volatiles in mushrooms. Untargeted analysis allowed the identification of 6 molecules that can be species- or genus-specific: one secondary metabolite specific to the edible species Lycoperdon perlatum, an ester of hexanoic acid, tentatively identified as allyl or vinyl caproate; and five other secondary metabolites, whose identification was not achieved, which were only detected in Lactarius aurantiacus specimens (edibility/toxicity unknown).
Autores principais:Carvalho, Luís Miguel
Outros Autores:Carvalho, Félix; Bastos, Maria de Lourdes; Baptista, Paula; Moreira, Nathalie; Monforte, Ana Rita; Ferreira, António César da Silva; Pinho, P. Guedes de
Assunto:Edible and toxic wild mushrooms HS-SPME GC-IT/MS Volatiles Species discrimination Targeted and non-targeted analysis Principal component analysis (PCA) Partial least square discriminant Analysis (PLS-DA)
Ano:2014
País:Portugal
Tipo de documento:artigo
Tipo de acesso:acesso restrito
Instituição associada:Instituto Politécnico de Bragança
Idioma:inglês
Origem:Biblioteca Digital do IPB
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author Carvalho, Luís Miguel
author2 Carvalho, Félix
Bastos, Maria de Lourdes
Baptista, Paula
Moreira, Nathalie
Monforte, Ana Rita
Ferreira, António César da Silva
Pinho, P. Guedes de
author2_role author
author
author
author
author
author
author
author_facet Carvalho, Luís Miguel
Carvalho, Félix
Bastos, Maria de Lourdes
Baptista, Paula
Moreira, Nathalie
Monforte, Ana Rita
Ferreira, António César da Silva
Pinho, P. Guedes de
author_role author
contributor_name_str_mv Biblioteca Digital do IPB
country_str PT
creators_json_str [{\"Person.name\":\"Carvalho, Luís Miguel\"},{\"Person.name\":\"Carvalho, Félix\"},{\"Person.name\":\"Bastos, Maria de Lourdes\"},{\"Person.name\":\"Baptista, Paula\",\"Person.identifier.orcid\":\"0000-0001-6331-3731\"},{\"Person.name\":\"Moreira, Nathalie\"},{\"Person.name\":\"Monforte, Ana Rita\"},{\"Person.name\":\"Ferreira, António César da Silva\"},{\"Person.name\":\"Pinho, P. Guedes de\"}]
datacite.contributors.contributor.contributorName.fl_str_mv Biblioteca Digital do IPB
datacite.creators.creator.creatorName.fl_str_mv Carvalho, Luís Miguel
Carvalho, Félix
Bastos, Maria de Lourdes
Baptista, Paula
Moreira, Nathalie
Monforte, Ana Rita
Ferreira, António César da Silva
Pinho, P. Guedes de
datacite.date.Accepted.fl_str_mv 2014-01-01T00:00:00Z
datacite.date.available.fl_str_mv 2014-09-19T16:27:03Z
datacite.date.embargoed.fl_str_mv 2014-09-19T16:27:03Z
datacite.rights.fl_str_mv http://purl.org/coar/access_right/c_16ec
datacite.subjects.subject.fl_str_mv Edible and toxic wild mushrooms
HS-SPME GC-IT/MS
Volatiles
Species discrimination
Targeted and non-targeted analysis
Principal component analysis (PCA)
Partial least square discriminant
Analysis (PLS-DA)
datacite.titles.title.fl_str_mv Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
dc.contributor.none.fl_str_mv Biblioteca Digital do IPB
dc.creator.none.fl_str_mv Carvalho, Luís Miguel
Carvalho, Félix
Bastos, Maria de Lourdes
Baptista, Paula
Moreira, Nathalie
Monforte, Ana Rita
Ferreira, António César da Silva
Pinho, P. Guedes de
dc.date.Accepted.fl_str_mv 2014-01-01T00:00:00Z
dc.date.available.fl_str_mv 2014-09-19T16:27:03Z
dc.date.embargoed.fl_str_mv 2014-09-19T16:27:03Z
dc.format.none.fl_str_mv application/pdf
dc.identifier.none.fl_str_mv http://hdl.handle.net/10198/10508
dc.language.none.fl_str_mv eng
dc.publisher.none.fl_str_mv Elsevier
dc.rights.none.fl_str_mv http://purl.org/coar/access_right/c_16ec
dc.subject.none.fl_str_mv Edible and toxic wild mushrooms
HS-SPME GC-IT/MS
Volatiles
Species discrimination
Targeted and non-targeted analysis
Principal component analysis (PCA)
Partial least square discriminant
Analysis (PLS-DA)
dc.title.fl_str_mv Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
dc.type.none.fl_str_mv http://purl.org/coar/resource_type/c_6501
description Mushrooms are known all over the world both due to the remarkable gastronomic value of some species and for severe intoxications mediated by other species that are frequently difficult to distinguish from the edible ones, by the common user. Therefore, it is important to develop strategies to discover molecules that can identify mushroom species. In the present work, two GC–MS methodologies were applied in the chemical characterization of 22 mushroom species (12 edible, 3 toxic and 7 potentially toxic) – a multi-target procedure to simultaneously determine amino acids (AA), fatty acids (FA) and sterols by previous derivatization procedure with MSTFA, and a Head Space-Solid Phase Microextraction method to determine volatiles. For both methods, two approaches to data analysis were used: (I) targeted analysis, to identify and quantify AA, FA sterols and volatiles; (II) untargeted analysis, including Principal Component Analysis and Partial Least Square Discriminant Analysis, in order to identify metabolites/metabolite pattern with potential species identification and/or differentiation. Multi-target experiment allowed the identification and quantification of twenty one primary metabolites (9 AA, 11 FA and 1 sterol). Furthermore, through untargeted data analysis, it was possible to identify a 5- carbon sugar alcohol structure molecule, which was tentatively identified as xylitol or adonitol, with potential to be a species-marker of the edible Suillus bovinus mushrooms. Volatile profiling studies resulted in the identification of the main volatiles in mushrooms. Untargeted analysis allowed the identification of 6 molecules that can be species- or genus-specific: one secondary metabolite specific to the edible species Lycoperdon perlatum, an ester of hexanoic acid, tentatively identified as allyl or vinyl caproate; and five other secondary metabolites, whose identification was not achieved, which were only detected in Lactarius aurantiacus specimens (edibility/toxicity unknown).
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fulltext.url.fl_str_mv https://bibliotecadigital.ipb.pt/bitstreams/e8893633-0c98-4dc2-9963-068e37f1c655/download
funding.funder.alternateName_str_mv FCT
FCT
funding.funder.identifier_str_mv http://doi.org/10.13039/501100001871
http://doi.org/10.13039/501100001871
funding.funder.name_str_mv Fundação para a Ciência e a Tecnologia
Fundação para a Ciência e a Tecnologia
funding.name_str_mv 6820 - DCRRNI ID
FARH
id ipb_33d2d4ea06d2700e499a315d9953bd2a
identifier.url.fl_str_mv http://hdl.handle.net/10198/10508
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institution Instituto Politécnico de Bragança
instname_str Instituto Politécnico de Bragança
language eng
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network_name_str Biblioteca Digital do IPB
oai_identifier_str oai:bibliotecadigital.ipb.pt:10198/10508
organization_str_mv urn:organizationAcronym:ipb
person_str_mv Carvalho, Luís Miguel
Carvalho, Félix
Bastos, Maria de Lourdes
Baptista, Paula
Baptista, Paula
https://www.ciencia-id.pt/7D11-FE1E-CD0F
7D11-FE1E-CD0F
http://orcid.org/0000-0001-6331-3731
0000-0001-6331-3731
Moreira, Nathalie
Monforte, Ana Rita
Ferreira, António César da Silva
Pinho, P. Guedes de
publishDate 2014
publisher.none.fl_str_mv Elsevier
reponame_str Biblioteca Digital do IPB
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spelling engElsevierporMushrooms are known all over the world both due to the remarkable gastronomic value of some species and for severe intoxications mediated by other species that are frequently difficult to distinguish from the edible ones, by the common user. Therefore, it is important to develop strategies to discover molecules that can identify mushroom species. In the present work, two GC–MS methodologies were applied in the chemical characterization of 22 mushroom species (12 edible, 3 toxic and 7 potentially toxic) – a multi-target procedure to simultaneously determine amino acids (AA), fatty acids (FA) and sterols by previous derivatization procedure with MSTFA, and a Head Space-Solid Phase Microextraction method to determine volatiles. For both methods, two approaches to data analysis were used: (I) targeted analysis, to identify and quantify AA, FA sterols and volatiles; (II) untargeted analysis, including Principal Component Analysis and Partial Least Square Discriminant Analysis, in order to identify metabolites/metabolite pattern with potential species identification and/or differentiation. Multi-target experiment allowed the identification and quantification of twenty one primary metabolites (9 AA, 11 FA and 1 sterol). Furthermore, through untargeted data analysis, it was possible to identify a 5- carbon sugar alcohol structure molecule, which was tentatively identified as xylitol or adonitol, with potential to be a species-marker of the edible Suillus bovinus mushrooms. Volatile profiling studies resulted in the identification of the main volatiles in mushrooms. Untargeted analysis allowed the identification of 6 molecules that can be species- or genus-specific: one secondary metabolite specific to the edible species Lycoperdon perlatum, an ester of hexanoic acid, tentatively identified as allyl or vinyl caproate; and five other secondary metabolites, whose identification was not achieved, which were only detected in Lactarius aurantiacus specimens (edibility/toxicity unknown).application/pdfporNon-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometryCarvalho, Luís MiguelCarvalho, FélixBastos, Maria de LourdesPersonalBaptista, PaulaDSpacehttp://dspace.org/items/3f35226a-b17a-4f7d-8da1-3297105cbfe9DSpacehttp://dspace.org/items/3f35226a-b17a-4f7d-8da1-3297105cbfe9BaptistaPaulaCiência IDhttps://www.ciencia-id.pt7D11-FE1E-CD0FORCIDhttp://orcid.org0000-0001-6331-3731Scopus Author IDhttps://www.scopus.com14051688000Scopus Author IDhttps://www.scopus.com57394839600Moreira, NathalieMonforte, Ana RitaFerreira, António César da SilvaPinho, P. Guedes deHostingInstitutionOrganizationalBiblioteca Digital do IPBe-mailmailto:dspace@ipb.ptdspace@ipb.ptISSNIsPartOf0039-9140DOIIsPartOf10.1016/j.talanta.2013.09.0382014-09-19T16:27:03Z20142014-01-01T00:00:00ZHandlehttp://hdl.handle.net/10198/10508http://purl.org/coar/access_right/c_16ecrestricted accessEdible and toxic wild mushroomsHS-SPME GC-IT/MSVolatilesSpecies discriminationTargeted and non-targeted analysisPrincipal component analysis (PCA)Partial least square discriminantAnalysis (PLS-DA)1707798 bytesFundação para a Ciência e a TecnologiaStrategic Project - LA 6 - 2011-20126820 - DCRRNI IDCrossref Funder IDhttp://doi.org/10.13039/501100001871Fundação para a Ciência e a TecnologiaSULPHUR COMPOUNDS IN GRAPES AND WINES FROM PORTUGUESE VARIETIES: CHEMICAL AND ORGANOLEPTIC PROFILE CHARACTERIZATION; BIOAVAILABILITY AND BIOLOGICAL ACTIVITY STUDIESFARHCrossref Funder IDhttp://doi.org/10.13039/501100001871literaturehttp://purl.org/coar/resource_type/c_6501journal articlehttp://purl.org/coar/access_right/c_16ecapplication/pdffulltexthttps://bibliotecadigital.ipb.pt/bitstreams/e8893633-0c98-4dc2-9963-068e37f1c655/downloadTalanta118292303
spellingShingle Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
Carvalho, Luís Miguel
Edible and toxic wild mushrooms
HS-SPME GC-IT/MS
Volatiles
Species discrimination
Targeted and non-targeted analysis
Principal component analysis (PCA)
Partial least square discriminant
Analysis (PLS-DA)
subject.fl_str_mv Edible and toxic wild mushrooms
HS-SPME GC-IT/MS
Volatiles
Species discrimination
Targeted and non-targeted analysis
Principal component analysis (PCA)
Partial least square discriminant
Analysis (PLS-DA)
title Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
title_full Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
title_fullStr Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
title_full_unstemmed Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
title_short Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
title_sort Non-targeted and targeted analysis of wild toxic and edible mushrooms using gas chromatography-ion trap mass spectrometry
topic Edible and toxic wild mushrooms
HS-SPME GC-IT/MS
Volatiles
Species discrimination
Targeted and non-targeted analysis
Principal component analysis (PCA)
Partial least square discriminant
Analysis (PLS-DA)
topic_facet Edible and toxic wild mushrooms
HS-SPME GC-IT/MS
Volatiles
Species discrimination
Targeted and non-targeted analysis
Principal component analysis (PCA)
Partial least square discriminant
Analysis (PLS-DA)
url http://hdl.handle.net/10198/10508
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