Publicação
New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR)
| Resumo: | This work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435cm1 to 6357cm1. Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R2) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines. |
|---|---|
| Autores principais: | Genisheva, Zlatina |
| Outros Autores: | Quintelas, Cristina; Mesquita, Daniela P.; Ferreira, Eugénio C.; Oliveira, José Maria; Amaral, A. Luís |
| Assunto: | NIR spectroscopy PCA PLS Volatile compounds Wine |
| Ano: | 2018 |
| País: | Portugal |
| Tipo de documento: | artigo |
| Tipo de acesso: | acesso aberto |
| Instituição associada: | Universidade do Minho |
| Idioma: | inglês |
| Origem: | RepositóriUM - Universidade do Minho |
| _version_ | 1867437892433870848 |
|---|---|
| author | Genisheva, Zlatina |
| author2 | Quintelas, Cristina Mesquita, Daniela P. Ferreira, Eugénio C. Oliveira, José Maria Amaral, A. Luís |
| author2_role | author author author author author |
| author_facet | Genisheva, Zlatina Quintelas, Cristina Mesquita, Daniela P. Ferreira, Eugénio C. Oliveira, José Maria Amaral, A. Luís |
| author_role | author |
| contributor_name_str_mv | RepositóriUM - Universidade do Minho |
| country_str | PT |
| creators_json_txt | [{\"Person.name\":\"Genisheva, Zlatina\"},{\"Person.name\":\"Quintelas, Cristina\"},{\"Person.name\":\"Mesquita, Daniela P.\"},{\"Person.name\":\"Ferreira, Eugénio C.\"},{\"Person.name\":\"Oliveira, José Maria\"},{\"Person.name\":\"Amaral, A. Luís\"}] |
| datacite.contributors.contributor.contributorName.fl_str_mv | RepositóriUM - Universidade do Minho |
| datacite.creators.creator.creatorName.fl_str_mv | Genisheva, Zlatina Quintelas, Cristina Mesquita, Daniela P. Ferreira, Eugénio C. Oliveira, José Maria Amaral, A. Luís |
| datacite.date.Accepted.fl_str_mv | 2018-04-25T00:00:00Z |
| datacite.date.available.fl_str_mv | 2018-03-18T21:28:59Z |
| datacite.date.embargoed.fl_str_mv | 2018-03-18T21:28:59Z |
| datacite.rights.fl_str_mv | http://purl.org/coar/access_right/c_abf2 |
| datacite.subjects.subject.fl_str_mv | NIR spectroscopy PCA PLS Volatile compounds Wine |
| datacite.titles.title.fl_str_mv | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| dc.contributor.none.fl_str_mv | RepositóriUM - Universidade do Minho |
| dc.creator.none.fl_str_mv | Genisheva, Zlatina Quintelas, Cristina Mesquita, Daniela P. Ferreira, Eugénio C. Oliveira, José Maria Amaral, A. Luís |
| dc.date.Accepted.fl_str_mv | 2018-04-25T00:00:00Z |
| dc.date.available.fl_str_mv | 2018-03-18T21:28:59Z |
| dc.date.embargoed.fl_str_mv | 2018-03-18T21:28:59Z |
| dc.format.none.fl_str_mv | application/pdf |
| dc.identifier.none.fl_str_mv | https://hdl.handle.net/1822/52724 |
| 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_abf2 |
| dc.subject.none.fl_str_mv | NIR spectroscopy PCA PLS Volatile compounds Wine |
| dc.title.fl_str_mv | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| dc.type.none.fl_str_mv | http://purl.org/coar/resource_type/c_6501 |
| description | This work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435cm1 to 6357cm1. Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R2) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines. |
| dirty | 0 |
| eu_rights_str_mv | openAccess |
| format | article |
| fulltext.url.fl_str_mv | https://repositorium.uminho.pt/bitstreams/b229e0d1-6082-4825-a843-88f93000bef3/download |
| id | rum_2df63ec7bf8a76e447fde46adf2b2e3f |
| identifier.url.fl_str_mv | https://hdl.handle.net/1822/52724 |
| instacron_str | repositorium |
| institution | Universidade do Minho |
| instname_str | Universidade do Minho |
| language | eng |
| network_acronym_str | rum |
| network_name_str | RepositóriUM - Universidade do Minho |
| oai_identifier_str | oai:repositorium.uminho.pt:1822/52724 |
| organization_str_mv | urn:organizationAcronym:repositorium |
| person_str_mv | Genisheva, Zlatina Quintelas, Cristina Mesquita, Daniela P. Ferreira, Eugénio C. Oliveira, José Maria Amaral, A. Luís |
| publishDate | 2018 |
| publisher.none.fl_str_mv | Elsevier |
| reponame_str | RepositóriUM - Universidade do Minho |
| repository_id_str | urn:repositoryAcronym:rum |
| service_str_mv | urn:repositoryAcronym:rum |
| spelling | engElsevierporThis work aims to explore the potential of near infrared (NIR) spectroscopy to quantify volatile compounds in Vinho Verde wines, commonly determined by gas chromatography. For this purpose, 105 Vinho Verde wine samples were analyzed using Fourier transform near infrared (FT-NIR) transmission spectroscopy in the range of 5435cm1 to 6357cm1. Boxplot and principal components analysis (PCA) were performed for clusters identification and outliers removal. A partial least square (PLS) regression was then applied to develop the calibration models, by a new iterative approach. The predictive ability of the models was confirmed by an external validation procedure with an independent sample set. The obtained results could be considered as quite good with coefficients of determination (R2) varying from 0.94 to 0.97. The current methodology, using NIR spectroscopy and chemometrics, can be seen as a promising rapid tool to determine volatile compounds in Vinho Verde wines.application/pdfporNew PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR)Genisheva, ZlatinaQuintelas, CristinaMesquita, Daniela P.Ferreira, Eugénio C.Oliveira, José MariaAmaral, A. LuísHostingInstitutionOrganizationalRepositóriUM - Universidade do Minhoe-mailmailto:repositorium@usdb.uminho.ptrepositorium@usdb.uminho.ptCITATIONGenisheva, Zlatina; Quintelas, Cristina; Mesquita, Daniela P.; Ferreira, Eugénio C.; Oliveira, José Maria; Amaral, A. Luís, New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR). Food Chemistry, 246, 172-178, 2018PMID29291836ISSNIsPartOf0308-8146EISSNIsPartOf0308-8146DOIIsPartOf10.1016/j.foodchem.2017.11.0152018-03-18T21:28:59Z2018-04-252018-03-17T12:35:03Z2018-04-25T00:00:00ZHandlehttps://hdl.handle.net/1822/52724http://purl.org/coar/access_right/c_abf2open accessNIR spectroscopyPCAPLSVolatile compoundsWine272570 bytesliteraturehttp://purl.org/coar/resource_type/c_6501journal articlehttp://purl.org/coar/access_right/c_abf2application/pdffulltexthttps://repositorium.uminho.pt/bitstreams/b229e0d1-6082-4825-a843-88f93000bef3/download |
| spellingShingle | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) Genisheva, Zlatina NIR spectroscopy PCA PLS Volatile compounds Wine |
| status | SINGLETON |
| subject.fl_str_mv | NIR spectroscopy PCA PLS Volatile compounds Wine |
| title | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| title_full | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| title_fullStr | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| title_full_unstemmed | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| title_short | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| title_sort | New PLS analysis approach to wine volatile compounds characterization by near infrared spectroscopy (NIR) |
| topic | NIR spectroscopy PCA PLS Volatile compounds Wine |
| topic_facet | NIR spectroscopy PCA PLS Volatile compounds Wine |
| url | https://hdl.handle.net/1822/52724 |
| visible | 1 |