A new strategy for statistical analysis-based fingerprint establishment: Application to quality assessment of Semen sojae praeparatum

Food Chem. 2018 Aug 30:258:189-198. doi: 10.1016/j.foodchem.2018.03.067. Epub 2018 Mar 16.

Abstract

Semen sojae praeparatum with homology of medicine and food is a famous traditional Chinese medicine. A simple and effective quality fingerprint analysis, coupled with chemometrics methods, was developed for quality assessment of Semen sojae praeparatum. First, similarity analysis (SA) and hierarchical clusting analysis (HCA) were applied to select the qualitative markers, which obviously influence the quality of Semen sojae praeparatum. 21 chemicals were selected and characterized by high resolution ion trap/time-of-flight mass spectrometry (LC-IT-TOF-MS). Subsequently, principal components analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) were conducted to select the quantitative markers of Semen sojae praeparatum samples from different origins. Moreover, 11 compounds with statistical significance were determined quantitatively, which provided an accurate and informative data for quality evaluation. This study proposes a new strategy for "statistic analysis-based fingerprint establishment", which would be a valuable reference for further study.

Keywords: Fingerprint; HCA; PCA; Quality control; SA; Semen sojae praeparatum.

MeSH terms

  • Biomarkers, Pharmacological / analysis
  • Chromatography, High Pressure Liquid
  • Discriminant Analysis
  • Drugs, Chinese Herbal / analysis*
  • Drugs, Chinese Herbal / chemistry*
  • Glycine max / chemistry
  • Least-Squares Analysis
  • Mass Spectrometry / methods
  • Mass Spectrometry / statistics & numerical data*
  • Principal Component Analysis
  • Quality Control

Substances

  • Biomarkers, Pharmacological
  • Drugs, Chinese Herbal