title: Classification and prediction of free-radical scavenging activities of dangyuja (Citrus grandis Osbeck) fruit extracts using (1)H NMR spectroscopy and multivariate statistical analysis.
abstract: Different parts of dangyuja (Citrus grandis Osbeck) fruits at different maturation stages were classified using a (1)H NMR-based metabolomic technique. Principal components analysis allowed the clear separation of fractions extracted with 50% methanol of different parts of dangyuja fruits at different maturation stages by combining principal components PC1 and PC2, which together accounted for 80.4% of the variance. A loading-plot analysis revealed that sucrose, glucose, oxaloacetic acid and citric acid were dominant in mature flesh, while naringin, tyramine, proline and alanine were dominant in immature fruit samples. Projections to latent structures using a partial least squares (PLS) model were used to predict the free-radical scavenging activities (FRSA) of dangyuja fruit extracts based on their (1)H NMR spectra. The present study suggests the usefulness of combining (1)H NMR spectroscopy with multivariate statistical analysis for discriminating dangyuja fruit samples, and predicting the FRSA of different parts of dangyuja fruit samples at different stages of maturation.
authors.affiliation: Faculty of Biotechnology, College of Applied Life Sciences, Cheju National University, Jeju, Republic of Korea.
authors.forename: Somi K
authors.initials: SK
authors.lastname: Cho
authors.forename: Seung-Ok
authors.initials: SO
authors.lastname: Yang
authors.forename: So-Hyun
authors.initials: SH
authors.lastname: Kim
authors.forename: Hana
authors.initials: H
authors.lastname: Kim
authors.forename: Jeong Soon
authors.initials: JS
authors.lastname: Ko
authors.forename: Key Zung
authors.initials: KZ
authors.lastname: Riu
authors.forename: Hyo-Yeon
authors.initials: HY
authors.lastname: Lee
authors.forename: Hyung-Kyoon
authors.initials: HK
authors.lastname: Choi
mesh_terms: D002957:Citrus / Q000737:chemistry*; D016166:Free Radical Scavengers / Q000032:analysis* / Q000737:chemistry; D005638:Fruit / Q000737:chemistry*; D016018:Least-Squares Analysis; D015999:Multivariate Analysis; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D010936:Plant Extracts / Q000737:chemistry*; D025341:Principal Component Analysis; D012997:Solvents / Q000737:chemistry
chemical_list: D016166:Free Radical Scavengers; D010936:Plant Extracts; D012997:Solvents