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Direct quantification of red wine phenolics using fluorescence spectrosopy with chemometrics

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Direct quantification of red wine phenolics using fluorescence spectrosopy with chemometrics

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dc.contributor.author dos Santos, Isabel es_ES
dc.contributor.author Bosman, Gurthwin es_ES
dc.contributor.author Aleixandre Tudo, José es_ES
dc.contributor.author Du toit, Wessel es_ES
dc.date.accessioned 2022-11-21T19:01:18Z
dc.date.available 2022-11-21T19:01:18Z
dc.date.issued 2022-01-01 es_ES
dc.identifier.issn 0039-9140 es_ES
dc.identifier.uri http://hdl.handle.net/10251/190010
dc.description.abstract [EN] Phenolic compounds are secondary metabolites known to play crucial roles in important chemical reactions impacting the mouthfeel, colour and ageing potential of red wine. Their complexity has resulted in a number of advanced analytical methods, which often prevent routine phenolic analysis in winemaking. Fluorescence spectroscopy could be an alternative to current spectrophotometric techniques and its combination with chemometrics was investigated for its suitability in directly quantifying phenolic content of unaltered red wine and fermenting samples. Front-face fluorescence was optimised and used to build predictive models for total phenols, total condensed tannins, total anthocyanins, colour density and polymeric pigments. Machine learning algorithms were used for model development. The most successful models were built for total phenols, total condensed tannins and total anthocyanins with coefficient of determination (R2cal) and RMSECV of 0.81, 0.89, 0.80 and 5.71, 104.03 mg/L, 60.67 mg/L, respectively. The validation results showed R2val values of 0.77, 0.8 and 0.77, and RMSEP values of 7.6, 172.37 mg/L and 76.57 mg/L, respectively. A novel approach for the classification of South African red wine cultivars based on unique fluorescent fingerprints was also successful with an overall cross validation score of 0.8. The best classification ability (validation score = 0.93) was shown for the data set containing only fermenting wines for the most widely represented cultivars (>20 samples). This approach may provide a useful tool for authentication and quality control by regulatory bodies. es_ES
dc.description.sponsorship The authors gratefully acknowledge Winetech South Africa for funding and support under the grant number (JT-NP07) es_ES
dc.language Inglés es_ES
dc.publisher Elsevier es_ES
dc.relation.ispartof Talanta es_ES
dc.rights Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) es_ES
dc.subject Fluorescence spectra es_ES
dc.subject Direct measurements es_ES
dc.subject Unaltered samples es_ES
dc.subject Phenolic compounds es_ES
dc.subject Chemometrics es_ES
dc.subject Machine learning es_ES
dc.title Direct quantification of red wine phenolics using fluorescence spectrosopy with chemometrics es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1016/j.talanta.2021.122857 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/Winetech South Africa//JT-NP07/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Tecnología de Alimentos - Departament de Tecnologia d'Aliments es_ES
dc.description.bibliographicCitation Dos Santos, I.; Bosman, G.; Aleixandre Tudo, J.; Du Toit, W. (2022). Direct quantification of red wine phenolics using fluorescence spectrosopy with chemometrics. Talanta. 236:1-13. https://doi.org/10.1016/j.talanta.2021.122857 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1016/j.talanta.2021.122857 es_ES
dc.description.upvformatpinicio 1 es_ES
dc.description.upvformatpfin 13 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 236 es_ES
dc.identifier.pmid 34635241 es_ES
dc.relation.pasarela S\454225 es_ES
dc.contributor.funder Winetech South Africa es_ES


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