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Use of the 1H nuclear magnetic resonance spectra signals from polyphenols and acids for chemometric characterization of cider apple juices.
J Agric Food Chem. 2006 Apr 19; 54(8):3095-100.JA

Abstract

The low field region (5.8-9.0 ppm) corresponding to aromatic protons and the region 1.8-3.0 ppm of the (1)H NMR spectra were used for characterization and chemometric differentiation of 52 apple juices obtained from six cider apple varieties. The data set consisted of 14 integrated areas corresponding to resonances from acids and phenolic compounds. Multivariate procedures based on hierarchical cluster and discriminant analysis were performed on selected signals of the spectra to determine whether it was possible to distinguish the different juices. Cluster analysis was able to satisfactorily classify the six apple varieties. Discriminant analysis, by means of stepwise procedure for variables selection and leave-one-out for cross-validation, was applied to 40 samples from the year 2001, obtaining recognition and prediction abilities of 100%. The most discriminant variables corresponded to poliphenols, (-)-epicatechin, phloridzin-phloretin, and p-coumaric, chlorogenic, and malic acids. The classification model was applied to 12 samples from apples harvested in the years 2002 and 2003, and the prediction ability was 91.7%.

Authors+Show Affiliations

Applied Chemistry Department, Faculty of Chemistry, University of the Basque Country, P.O. Box 1072, E-20018 San Sebastian, Spain. qppcamag@sc.ehu.esNo affiliation info availableNo affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

16608236

Citation

Del Campo, Gloria, et al. "Use of the 1H Nuclear Magnetic Resonance Spectra Signals From Polyphenols and Acids for Chemometric Characterization of Cider Apple Juices." Journal of Agricultural and Food Chemistry, vol. 54, no. 8, 2006, pp. 3095-100.
Del Campo G, Santos JI, Iturriza N, et al. Use of the 1H nuclear magnetic resonance spectra signals from polyphenols and acids for chemometric characterization of cider apple juices. J Agric Food Chem. 2006;54(8):3095-100.
Del Campo, G., Santos, J. I., Iturriza, N., Berregi, I., & Munduate, A. (2006). Use of the 1H nuclear magnetic resonance spectra signals from polyphenols and acids for chemometric characterization of cider apple juices. Journal of Agricultural and Food Chemistry, 54(8), 3095-100.
Del Campo G, et al. Use of the 1H Nuclear Magnetic Resonance Spectra Signals From Polyphenols and Acids for Chemometric Characterization of Cider Apple Juices. J Agric Food Chem. 2006 Apr 19;54(8):3095-100. PubMed PMID: 16608236.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Use of the 1H nuclear magnetic resonance spectra signals from polyphenols and acids for chemometric characterization of cider apple juices. AU - Del Campo,Gloria, AU - Santos,J Ignacio, AU - Iturriza,Nuria, AU - Berregi,Iñaki, AU - Munduate,Arantxa, PY - 2006/4/13/pubmed PY - 2006/6/21/medline PY - 2006/4/13/entrez SP - 3095 EP - 100 JF - Journal of agricultural and food chemistry JO - J Agric Food Chem VL - 54 IS - 8 N2 - The low field region (5.8-9.0 ppm) corresponding to aromatic protons and the region 1.8-3.0 ppm of the (1)H NMR spectra were used for characterization and chemometric differentiation of 52 apple juices obtained from six cider apple varieties. The data set consisted of 14 integrated areas corresponding to resonances from acids and phenolic compounds. Multivariate procedures based on hierarchical cluster and discriminant analysis were performed on selected signals of the spectra to determine whether it was possible to distinguish the different juices. Cluster analysis was able to satisfactorily classify the six apple varieties. Discriminant analysis, by means of stepwise procedure for variables selection and leave-one-out for cross-validation, was applied to 40 samples from the year 2001, obtaining recognition and prediction abilities of 100%. The most discriminant variables corresponded to poliphenols, (-)-epicatechin, phloridzin-phloretin, and p-coumaric, chlorogenic, and malic acids. The classification model was applied to 12 samples from apples harvested in the years 2002 and 2003, and the prediction ability was 91.7%. SN - 0021-8561 UR - https://www.unboundmedicine.com/medline/citation/16608236/Use_of_the_1H_nuclear_magnetic_resonance_spectra_signals_from_polyphenols_and_acids_for_chemometric_characterization_of_cider_apple_juices_ L2 - https://doi.org/10.1021/jf051818c DB - PRIME DP - Unbound Medicine ER -