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A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin

2020Journal article Open access
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dc.contributor.authorFigueira, José
dc.contributor.authorPorto-Figueira, Priscilla
dc.contributor.authorPereira, Jorge A. M.
dc.contributor.authorCâmara, José S.
dc.date.accessioned2021-11-29T15:47:25Z
dc.date.available2021-11-29T15:47:25Z
dc.date.issued2020
dc.description.abstractIn this work we report an innovative and high throughput methodology involving Needle Trap Microextraction (NTME) combined with GC-MS analyis and chemometric processing, to obtain comprehensive volatile finger prints for authenticity purposes. This approach ewill allow to characterize the volatile composition of lemon peels (exocarp) (Eureka variety) from different geographical regions of Portugal (mainland and Madeira Island), Argentine and South Africa as useful tool to identify geographic molecular markers with potential for dis crimination according to their geographical origin. The most important parameters affecting NTME, namely extraction and headspace volumes, sample temperature and equilibration time, were optimized using an ex perimental design (DoE). Overall, 75 volatile organic compounds (VOCs), belonging to different chemical groups, namely monoterpenes, sesquiterpenes, alcohols and carbonyl compounds, were identified. D-limonene, α-pinene, β-pinene, sabinene, β-myrcene and γ-terpinene were the dominant volatiles identified, accounting for more than 50% of the volatile composition of selected lemons varieties. The VOCs data matrix obtained was submitted to both supervised (Orthogonal Projections to Latent Structures Discriminant Analysis, OPLS-DA) and unsupervised (Hierarchical Clustering Analysis, HCA) statistics, allowing to discriminate lemons based on the volatomic fingerprint of its peel. The VOCs with the larger contribution to the geographical origin classification included butanal, α-pinene, α-thujene, 1-butanol, 2-heptanone, D-limonene, 2-methyl-2-heptenal, nonanal, decanal, 1-octanol, limonene oxide, β-caryophyllene and 2,6-dimethyl-2,6-octadiene, suggesting their potential as geographical markers. This study shows the potential of NTMS/GC-MS combined with multivariate statistical analysis as a powerful and rapid strategy to obtain volatile fingerprints of different food matrices and support the certification of their origin and authenticity.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationFigueira, J. A., Porto-Figueira, P., Pereira, J. A., & Câmara, J. S. (2020). A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin. Microchemical Journal, 157, 104933. https://doi.org/10.1016/j.microc.2020.104933pt_PT
dc.identifier.doi10.1016/j.microc.2020.104933pt_PT
dc.identifier.urihttp://hdl.handle.net/10400.13/3867
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherElsevierpt_PT
dc.relationMadeira Chemistry Research Centre
dc.relationMadeira Chemistry Research Centre
dc.relationHNC-i3OMICS - Development of an innovative and integrated platform based on OMICS patterns towards the next generation of cancer diagnosis and management
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectLemonpt_PT
dc.subjectEureka varietypt_PT
dc.subjectPeelpt_PT
dc.subjectNTME-GC-MSpt_PT
dc.subjectVOCspt_PT
dc.subjectGeographical originpt_PT
dc.subjectMultivariate statistical analysispt_PT
dc.subject.pt_PT
dc.subjectFaculdade de Ciências Exatas e da Engenhariapt_PT
dc.subjectCentro de Química da Madeira
dc.titleA comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical originpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleMadeira Chemistry Research Centre
oaire.awardTitleMadeira Chemistry Research Centre
oaire.awardTitleHNC-i3OMICS - Development of an innovative and integrated platform based on OMICS patterns towards the next generation of cancer diagnosis and management
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F00674%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F00674%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/OE/SFRH%2FBD%2F129630%2F2017/PT
oaire.citation.startPage104933pt_PT
oaire.citation.titleMicrochemical Journalpt_PT
oaire.citation.volume157pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStreamOE
person.familyNameOliveira Figueira
person.familyNamePorto-Figueira
person.familyNameAugusto Machado Pereira
person.familyNameCâmara
person.givenNameJosé Aldónio
person.givenNamePriscilla
person.givenNameJorge
person.givenNameJosé
person.identifierA-8724-2017
person.identifierG-3003-2013
person.identifier.ciencia-id0B1E-B3DD-95F5
person.identifier.ciencia-idAD11-4860-FB1B
person.identifier.ciencia-idEC12-EE8F-50E8
person.identifier.ciencia-id481C-08CE-90E5
person.identifier.orcid0000-0003-3719-9327
person.identifier.orcid0000-0001-7773-182X
person.identifier.orcid0000-0003-0316-5348
person.identifier.orcid0000-0003-1965-3151
person.identifier.scopus-author-id57201813505
person.identifier.scopus-author-id56724173300
person.identifier.scopus-author-id10140393000
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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