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PLS-R calibration models for wine spirit volatile phenols prediction by Near-Infrared Spectroscopy

2021Journal article Open access
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dc.contributor.authorAnjos, O.
dc.contributor.authorCaldeira, Ilda
dc.contributor.authorFernandes, Tiago A.
dc.contributor.authorPedro, Soraia
dc.contributor.authorVitória, Cláudia
dc.contributor.authorAlves, Sheila Oliveira
dc.contributor.authorCatarino, Sofia
dc.contributor.authorCanas, Sara
dc.date.accessioned2022-01-12T12:33:35Z
dc.date.available2022-01-12T12:33:35Z
dc.date.issued2021
dc.description.abstractNear-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-methylsyringol (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.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationANJOS, O [et al.] (2021) - PLS-R calibration models for wine spirit volatile phenols prediction by Near-Infrared Spectroscopy. Sensors.Vol. 22, n.º 1, p. 286. DOI 10.3390/s22010286
dc.identifier.doi10.3390/s22010286pt_PT
dc.identifier.urihttp://hdl.handle.net/10400.11/7843
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectNIRpt_PT
dc.subjectCalibration modelspt_PT
dc.subjectPLS-Rpt_PT
dc.subjectVolatile phenolspt_PT
dc.subjectAged wine spiritpt_PT
dc.titlePLS-R calibration models for wine spirit volatile phenols prediction by Near-Infrared Spectroscopypt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.citation.issue1pt_PT
oaire.citation.startPage286pt_PT
oaire.citation.titleSensorspt_PT
oaire.citation.volume22pt_PT
person.familyNameAnjos
person.familyNamecaldeira
person.familyNameFernandes
person.familyNamePedro
person.familyNameVitória
person.familyNameOliveira Alves
person.familyNameCatarino
person.familyNamede Almeida Lopes Canas
person.givenNameOfélia
person.givenNameilda
person.givenNameTiago
person.givenNameSoraia Inês
person.givenNameCláudia
person.givenNameSheila Cristina de
person.givenNameSofia
person.givenNameSara Maria
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rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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