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    政大機構典藏 > 商學院 > 統計學系 > 期刊論文 >  Item 140.119/75264
    Please use this identifier to cite or link to this item: http://nccur.lib.nccu.edu.tw/handle/140.119/75264

    Title: Discrimination between genetically identical peony roots from different regions of origin based on 1H-nuclear magnetic resonance spectroscopy-based metabolomics: Determination of the geographical origins and estimation of the mixing proportions of blended samples
    Authors: Um, J.A.;Choi, Y.-G.;Lee, D.-K.;Lee, Y.S.;Lim, C.J.;Youn, Youn Y.A.;Lee, H.D.;Cho, H.J.;Park, J.H.;Seo, Y.B.;Kuo, Hsun-Chih;Lim, J.;Yang, T.-J.;Kwon, S.W.;Lee, J.
    Contributors: 統計系
    Keywords: Constrained least squares method;Geographical origins;High resolution;Metabolomics;Space analysis;Amino acids;Least squares approximations;Magnetic resonance spectrometers;Mixing;RNA;Nuclear magnetic resonance spectroscopy;Paeonia;4 aminobutyric acid;alanine;albiflorin;arginine;biological marker;bridged compound;glucoside;paeoniflorin;plant DNA;spacer DNA;terpene;article;chemistry;China;chloroplast;classification;genetics;metabolism;metabolomics;multivariate analysis;nuclear magnetic resonance spectroscopy;Paeonia;phylogeny;phylogeography;plant root;quality control;South Korea;statistics;Alanine;Arginine;Biological Markers;Bridged Compounds;China;Chloroplasts;DNA, Intergenic;DNA, Plant;gamma-Aminobutyric Acid;Glucosides;Magnetic Resonance Spectroscopy;Metabolomics;Monoterpenes;Multivariate Analysis;Paeonia;Phylogeny;Phylogeography;Plant Roots;Quality Control;Republic of Korea
    Date: 2013-09
    Issue Date: 2015-05-21 17:02:30 (UTC+8)
    Abstract: Sixty peony root training samples of the same age were collected from various regions in Korea and China, and their genetic diversity was investigated for 23 chloroplast intergenic space regions. All samples were genetically indistinguishable, indicating that the DNA-based techniques employed were not appropriate for determining the samples' regions of origin. In contrast, 1H-nuclear magnetic resonance (1H-NMR) spectroscopy-based metabolomics coupled with multivariate statistical analysis revealed a clear difference between the metabolic profiles of the Korean and Chinese samples. Orthogonal projections on the latent structure-discrimination analysis allowed the identification of potential metabolite markers, including γ-aminobutyric acid, arginine, alanine, paeoniflorin, and albiflorin, that could be useful for classifying the samples' regions of origin. The validity of the discrimination model was tested using the response permutation test and blind prediction test for internal and external validations, respectively. Metabolomic data of 21 blended samples consisting of Korean and Chinese samples mixed at various proportions were also acquired by 1H-NMR analysis. After data preprocessing which was designed to eliminate uncontrolled deviations in the spectral data between the testing and training sets, a new statistical procedure for estimating the mixing proportions of blended samples was established using the constrained least squares method for the first time. The predictive procedure exhibited relatively good predictability (adjusted R 2 = 0.7669), and thus has the potential to be used in the quality control of peony root by providing correct indications for a sample's geographical origins. [Figure not available: see fulltext.] © 2013 Springer-Verlag Berlin Heidelberg.
    Relation: Analytical and Bioanalytical Chemistry, 405(23), 7523-7534
    Data Type: article
    DOI 連結: http://dx.doi.org/10.1007/s00216-013-7182-9
    DOI: 10.1007/s00216-013-7182-9
    Appears in Collections:[統計學系] 期刊論文

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