PLS-R calibration models for wine spirit volatile phenols prediction by near-infrared spectroscopy

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorAnjos, Ofélia-
Autor(es): dc.creatorCaldeira, Ilda-
Autor(es): dc.creatorFernandes, Tiago-
Autor(es): dc.creatorPedro, Soraia-
Autor(es): dc.creatorVitória, Cláudia-
Autor(es): dc.creatorAlves, Sheila Cristina Oliveira-
Autor(es): dc.creatorCatarino, Sofia-
Autor(es): dc.creatorCanas, Sara-
Data de aceite: dc.date.accessioned2025-08-22T11:53:23Z-
Data de disponibilização: dc.date.available2025-08-22T11:53:23Z-
Data de envio: dc.date.issued2023-01-03-
Data de envio: dc.date.issued2023-01-03-
Data de envio: dc.date.issued2021-12-30-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/10400.2/12975-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/10400.2/12975-
Descrição: dc.descriptionNear-infrared spectroscopic (NIR) technique was used, for the first time, to predict volatile phenols content, namely guaiacol, 4-methyl-guaiacol, eugenol, syringol, 4-methyl-syringol and 4-allyl-syringol, of aged wine spirits (AWS). This study aimed to develop calibration models for the volatile phenol’s quantification in AWS, by NIR, faster and without sample preparation. Partial least square regression (PLS-R) models were developed with NIR spectra in the near-IR region (12,500–4000 cm−1) and those obtained from GC-FID quantification after liquid-liquid extraction. In the PLS-R developed method, cross-validation with 50% of the samples along a validation test set with 50% of the remaining samples. The final calibration was performed with 100% of the data. PLS-R models with a good accuracy were obtained for guaiacol (r2 = 96.34; RPD = 5.23), 4-methyl-guaiacol (r2 = 96.1; RPD = 5.07), eugenol (r2 = 96.06; RPD = 5.04), syringol (r2 = 97.32; RPD = 6.11), 4-methyl-syringol (r2 = 95.79; RPD = 4.88) and 4-allyl-syringol (r2 = 95.97; RPD = 4.98). These results reveal that NIR is a valuable technique for the quality control of wine spirits and to predict the volatile phenols content, which contributes to the sensory quality of the spirit beverages.-
Descrição: dc.descriptionThe authors thank “Centro de Biotecnologia de plantas” for the equipment availability and Vitor de Freitas as the Scientific Consultant of the Project PO-CI-01-0145-FEDER-027819. This research was funded by National Funds through FCT—Foundation for Science and Technology under the Project POCI-01-0145-FEDER-027819 (PTDC/OCE-ETA/27819/2017). This work is also funded by National Funds through FCT—Foundation for Science and Technology under the Projects UIDB/00239/2020 [CEF], UIDB/05183/2020 [MED]; UIDB/00100/2020, UIDP/00100/2020 [CQE]; UID/AGR/04129/2020, DL 57/2016/CP1382/CT0025 [LEAF].-
Descrição: dc.descriptioninfo:eu-repo/semantics/publishedVersion-
Formato: dc.formatapplication/pdf-
Idioma: dc.languageen-
Publicador: dc.publisherMDPI-
Relação: dc.relationForest Research Centre-
Relação: dc.relationMediterranean Institute for Agriculture, Environment and Development-
Relação: dc.relationCentro de Química Estrutural-
Relação: dc.relationCentro de Química Estrutural-
Relação: dc.relationNot Available-
Relação: dc.relationhttps://www.mdpi.com/1424-8220/22/1/286-
Direitos: dc.rightshttp://creativecommons.org/licenses/by/4.0/-
Palavras-chave: dc.subjectNIR-
Palavras-chave: dc.subjectCalibration models-
Palavras-chave: dc.subjectPLS-R-
Palavras-chave: dc.subjectVolatile phenols-
Palavras-chave: dc.subjectAged wine spirit-
Título: dc.titlePLS-R calibration models for wine spirit volatile phenols prediction by near-infrared spectroscopy-
Aparece nas coleções:Repositório Aberto - Universidade Aberta (Portugal)

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