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Evaluation of volatile metabolites as markers in Lycopersicon esculentum L. cultivars discrimination by multivariate analysis of headspace solid phase microextraction and mass spectrometry data

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dc.contributor.authorFigueira, José
dc.contributor.authorCâmara, Hugo
dc.contributor.authorPereira, Jorge
dc.contributor.authorCâmara, José S.
dc.date.accessioned2019-07-19T11:23:22Z
dc.date.available2019-07-19T11:23:22Z
dc.date.issued2014
dc.description.abstractTo gain insights on the effects of cultivar on the volatile metabolomic expression of different tomato (Lycopersicon esculentum L.) cultivars--Plum, Campari, Grape, Cherry and Regional, cultivated under similar edafoclimatic conditions, and to identify the most discriminate volatile marker metabolites related to the cultivar, the chromatographic profiles resulting from headspace solid phase microextraction (HS-SPME) and gas chromatography-mass spectrometry (GC-qMS) analysis, combined with multivariate analysis were investigated. The data set composed by the 77 volatile metabolites identified in the target tomato cultivars, 5 of which (2,2,6-trimethylcyclohexanone, 2-methyl-6-methyleneoctan-2-ol, 4-octadecyl-morpholine, (Z)-methyl-3-hexenoate and 3-octanone) are reported for the first time in tomato volatile metabolomic composition, was evaluated by chemometrics. Firstly, principal component analysis was carried out in order to visualise data trends and clusters, and then, linear discriminant analysis in order to detect the set of volatile metabolites able to differentiate groups according to tomato cultivars. The results obtained revealed a perfect discrimination between the different Lycopersicon esculentum L. cultivars considered. The assignment success rate was 100% in classification and 80% in prediction ability by using "leave-one-out" cross-validation procedure. The volatile profile was able to differentiate all five cultivars and revealed complex interactions between them including the participation in the same biosynthetic pathway. The volatile metabolomic platform for tomato samples obtained by HS-SPME/GC-qMS here described, and the interrelationship detected among the volatile metabolites can be used as a roadmap for biotechnological applications, namely to improve tomato aroma and their acceptance in the final consumer, and for traceability studies.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationFigueira, J., Câmara, H., Pereira, J., & Câmara, J. S. (2014). Evaluation of volatile metabolites as markers in Lycopersicon esculentum L. cultivars discrimination by multivariate analysis of headspace solid phase microextraction and mass spectrometry data. Food chemistry, 145, 653-663.pt_PT
dc.identifier.doi10.1016/j.foodchem.2013.08.061pt_PT
dc.identifier.issn0308-8146
dc.identifier.urihttp://hdl.handle.net/10400.13/2488
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.subjectHeadspace solid phase microextraction (HS-SPME)pt_PT
dc.subjectGas-chromatography–single quadrupole mass spectrometry (GC–qMS)pt_PT
dc.subjectTomatopt_PT
dc.subjectLycopersicon esculentum L. cultivarspt_PT
dc.subjectVolatile metabolitespt_PT
dc.subjectMultivariate analysispt_PT
dc.subject.pt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.titleEvaluation of volatile metabolites as markers in Lycopersicon esculentum L. cultivars discrimination by multivariate analysis of headspace solid phase microextraction and mass spectrometry datapt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.endPage663pt_PT
oaire.citation.startPage653pt_PT
oaire.citation.titleFood Chemistrypt_PT
oaire.citation.volume145pt_PT
person.familyNameOliveira Figueira
person.familyNameCâmara
person.familyNameAugusto Machado Pereira
person.familyNameCâmara
person.givenNameJosé Aldónio
person.givenNameHugo
person.givenNameJorge
person.givenNameJosé
person.identifierA-8724-2017
person.identifierG-3003-2013
person.identifier.ciencia-id0B1E-B3DD-95F5
person.identifier.ciencia-idEC12-EE8F-50E8
person.identifier.ciencia-id481C-08CE-90E5
person.identifier.orcid0000-0003-3719-9327
person.identifier.orcid0000-0001-5934-4973
person.identifier.orcid0000-0003-0316-5348
person.identifier.orcid0000-0003-1965-3151
person.identifier.scopus-author-id57201813505
person.identifier.scopus-author-id10140393000
rcaap.rightsrestrictedAccesspt_PT
rcaap.typearticlept_PT
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relation.isAuthorOfPublicatione10d78be-e547-4d25-92b5-06a997ed78da
relation.isAuthorOfPublication.latestForDiscovery2f4d7adf-ab6b-40ab-85d5-73995a784bda

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