Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics Methods
This study investigated the potential of using the changes in polyphenol composition of red wine to enable a more comprehensive chemometric differentiation and suitable identification of authentication markers. Based on high performance liquid chromatography-mass spectrometry (HPLC-MS) data collecte...
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MDPI AG
2021-12-01
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| author | Laurentiu Mihai Palade Constantin Croitoru Camelia Albu Gabriel Lucian Radu Mona Elena Popa |
| author_facet | Laurentiu Mihai Palade Constantin Croitoru Camelia Albu Gabriel Lucian Radu Mona Elena Popa |
| author_sort | Laurentiu Mihai Palade |
| collection | DOAJ |
| description | This study investigated the potential of using the changes in polyphenol composition of red wine to enable a more comprehensive chemometric differentiation and suitable identification of authentication markers. Based on high performance liquid chromatography-mass spectrometry (HPLC-MS) data collected from Feteasca Neagra, Merlot, and Cabernet Sauvignon finished wines, phenolic profiles of relevant classes were investigated immediately after vinification (Stage 1), after three months (Stage 2) and six months (Stage 3) of storage, respectively. The data were subjected to multivariate analysis, and resulted in an initial vintage differentiation by principal component analysis (PCA), and variety grouping by canonical discriminant analysis (CDA). Based on polyphenol common biosynthesis route and on the PCA correlation matrix, additional descriptors were investigated. We observed that the inclusion of specific compositional ratios into the data matrix allowed for improved sample differentiation. We obtained simultaneous discrimination according to the considered oenological factors (variety, vintage, and geographical origin) as well as the respective clustering applied during the storage period. Subsequently, further discriminatory investigations to assign wine samples to their corresponding classes relied on partial least squares-discriminant analysis (PLS-DA); the classification models confirmed the clustering initially obtained by PCA. The benefits of the presented fingerprinting approach might justify its selection and warrant its potential as an applicable tool with improved authentication capabilities in red wines. |
| first_indexed | 2024-03-10T03:06:09Z |
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| institution | Directory Open Access Journal |
| issn | 2297-8739 |
| language | English |
| last_indexed | 2024-03-10T03:06:09Z |
| publishDate | 2021-12-01 |
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| spelling | doaj.art-cf12f18f069d4631924f58802b94e0772023-11-23T10:32:34ZengMDPI AGSeparations2297-87392021-12-0181223310.3390/separations8120233Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics MethodsLaurentiu Mihai Palade0Constantin Croitoru1Camelia Albu2Gabriel Lucian Radu3Mona Elena Popa4National Research-Development Institute for Animal Biology and Nutrition—IBNA Balotesti, 1 Calea Bucuresti Street, 077015 Balotesti, RomaniaDepartment of Food Sciences, Academy of Agricultural and Forestry Sciences, 61 Marasti Blvd, 011464 Bucharest, RomaniaCentre of Bioanalysis, National Institute for Biological Sciences, 296 Splaiul Independentei, 060031 Bucharest, RomaniaCentre of Bioanalysis, National Institute for Biological Sciences, 296 Splaiul Independentei, 060031 Bucharest, RomaniaFaculty of Biotechnology, University of Agronomic Sciences and Veterinary Medicine of Bucharest, 59 Marasti Blvd, 011464 Bucharest, RomaniaThis study investigated the potential of using the changes in polyphenol composition of red wine to enable a more comprehensive chemometric differentiation and suitable identification of authentication markers. Based on high performance liquid chromatography-mass spectrometry (HPLC-MS) data collected from Feteasca Neagra, Merlot, and Cabernet Sauvignon finished wines, phenolic profiles of relevant classes were investigated immediately after vinification (Stage 1), after three months (Stage 2) and six months (Stage 3) of storage, respectively. The data were subjected to multivariate analysis, and resulted in an initial vintage differentiation by principal component analysis (PCA), and variety grouping by canonical discriminant analysis (CDA). Based on polyphenol common biosynthesis route and on the PCA correlation matrix, additional descriptors were investigated. We observed that the inclusion of specific compositional ratios into the data matrix allowed for improved sample differentiation. We obtained simultaneous discrimination according to the considered oenological factors (variety, vintage, and geographical origin) as well as the respective clustering applied during the storage period. Subsequently, further discriminatory investigations to assign wine samples to their corresponding classes relied on partial least squares-discriminant analysis (PLS-DA); the classification models confirmed the clustering initially obtained by PCA. The benefits of the presented fingerprinting approach might justify its selection and warrant its potential as an applicable tool with improved authentication capabilities in red wines.https://www.mdpi.com/2297-8739/8/12/233red winetraceabilitypolyphenolsmarkersauthenticityfingerprinting |
| spellingShingle | Laurentiu Mihai Palade Constantin Croitoru Camelia Albu Gabriel Lucian Radu Mona Elena Popa Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics Methods Separations red wine traceability polyphenols markers authenticity fingerprinting |
| title | Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics Methods |
| title_full | Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics Methods |
| title_fullStr | Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics Methods |
| title_full_unstemmed | Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics Methods |
| title_short | Identification of Tentative Traceability Markers with Direct Implications in Polyphenol Fingerprinting of Red Wines: Application of LC-MS and Chemometrics Methods |
| title_sort | identification of tentative traceability markers with direct implications in polyphenol fingerprinting of red wines application of lc ms and chemometrics methods |
| topic | red wine traceability polyphenols markers authenticity fingerprinting |
| url | https://www.mdpi.com/2297-8739/8/12/233 |
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