The integration of multi-platform MS-based metabolomics and multivariate analysis for the geographical origin discrimination of Oryza sativa L

J Food Drug Anal. 2018 Apr;26(2):769-777. doi: 10.1016/j.jfda.2017.09.004. Epub 2017 Nov 10.

Abstract

For the authentication of white rice from different geographical origins, the selection of outstanding discrimination markers is essential. In this study, 80 commercial white rice samples were collected from local markets of Korea and China and discriminated by mass spectrometry-based untargeted metabolomics approaches. Additionally, the potential markers that belong to sugars & sugar alcohols, fatty acids, and phospholipids were examined using several multivariate analyses to measure their discrimination efficiencies. Unsupervised analyses, including principal component analysis and k-means clustering demonstrated the potential of the geographical classification of white rice between Korea and China by fatty acids and phospholipids. In addition, the accuracy, goodness-of-fit (R2), goodness-of-prediction (Q2), and permutation test p-value derived from phospholipid-based partial least squares-discriminant analysis were 1.000, 0.902, 0.870, and 0.001, respectively. Random Forests further consolidated the discrimination ability of phospholipids. Furthermore, an independent validation set containing 20 white rice samples also confirmed that phospholipids were the excellent discrimination markers for white rice between two countries. In conclusion, the proposed approach successfully highlighted phospholipids as the better discrimination markers than sugars & sugar alcohols and fatty acids in differentiating white rice between Korea and China.

Keywords: Discrimination marker; Metabolomics; Multivariate analysis; Phospholipid; White rice (Oryza sativa L.).

Publication types

  • Evaluation Study
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Biomarkers / analysis
  • China
  • Discriminant Analysis
  • Geography
  • Mass Spectrometry / methods*
  • Metabolomics / methods*
  • Multivariate Analysis
  • Oryza / chemistry*
  • Oryza / classification
  • Oryza / metabolism
  • Principal Component Analysis

Substances

  • Biomarkers

Grants and funding

This work was supported by the Rural Development Administration of Korea (PJ01164601), the Bio-Synergy Research Project of the Ministry of Science, ICT and Future Planning through the National Research Foundation (NRF-2012M3A9C4048796), and the National Research Foundation of Korea (NRF) grant funded by the Korean government (MSIP) (No. 2009-0083533).