A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin
Autor(a) principal: | |
---|---|
Data de Publicação: | 2020 |
Outros Autores: | , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | http://hdl.handle.net/10400.13/3867 |
Resumo: | In 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. |
id |
RCAP_107253b6316025b9bbece86e1c0e2327 |
---|---|
oai_identifier_str |
oai:digituma.uma.pt:10400.13/3867 |
network_acronym_str |
RCAP |
network_name_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository_id_str |
7160 |
spelling |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical originLemonEureka varietyPeelNTME-GC-MSVOCsGeographical originMultivariate statistical analysis.Faculdade de Ciências Exatas e da EngenhariaCentro de Química da MadeiraIn 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.ElsevierDigitUMaFigueira, JoséPorto-Figueira, PriscillaPereira, Jorge A. M.Câmara, José S.2021-11-29T15:47:25Z20202020-01-01T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttp://hdl.handle.net/10400.13/3867engFigueira, 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.2020.10493310.1016/j.microc.2020.104933info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-03-17T05:57:47Zoai:digituma.uma.pt:10400.13/3867Portal AgregadorONGhttps://www.rcaap.pt/oai/openaireopendoar:71602024-03-19T15:07:26.367785Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin |
title |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin |
spellingShingle |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin Figueira, José Lemon Eureka variety Peel NTME-GC-MS VOCs Geographical origin Multivariate statistical analysis . Faculdade de Ciências Exatas e da Engenharia Centro de Química da Madeira |
title_short |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin |
title_full |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin |
title_fullStr |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin |
title_full_unstemmed |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin |
title_sort |
A comprehensive methodology based on NTME/GC-MS data and chemometric tools for lemons discrimination according to geographical origin |
author |
Figueira, José |
author_facet |
Figueira, José Porto-Figueira, Priscilla Pereira, Jorge A. M. Câmara, José S. |
author_role |
author |
author2 |
Porto-Figueira, Priscilla Pereira, Jorge A. M. Câmara, José S. |
author2_role |
author author author |
dc.contributor.none.fl_str_mv |
DigitUMa |
dc.contributor.author.fl_str_mv |
Figueira, José Porto-Figueira, Priscilla Pereira, Jorge A. M. Câmara, José S. |
dc.subject.por.fl_str_mv |
Lemon Eureka variety Peel NTME-GC-MS VOCs Geographical origin Multivariate statistical analysis . Faculdade de Ciências Exatas e da Engenharia Centro de Química da Madeira |
topic |
Lemon Eureka variety Peel NTME-GC-MS VOCs Geographical origin Multivariate statistical analysis . Faculdade de Ciências Exatas e da Engenharia Centro de Química da Madeira |
description |
In 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. |
publishDate |
2020 |
dc.date.none.fl_str_mv |
2020 2020-01-01T00:00:00Z 2021-11-29T15:47:25Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://hdl.handle.net/10400.13/3867 |
url |
http://hdl.handle.net/10400.13/3867 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Figueira, 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.2020.104933 10.1016/j.microc.2020.104933 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
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 |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
|
_version_ |
1799129943633821696 |