Open AccessThe use of 1H-NMR spectroscopy and chemometrics of pattern recognition for authentication of Curcuma xanthorrhiza adulterated with Zingiber montanum
Author(s) -
Anjar Windarsih,
Khoirun Nisa,
Anastasia Wheni Indrianingsih,
C. Darsih,
Sutri Handayani,
Martha Purnami Wulanjati,
V. T. Rosyida,
Theresia Wijayanti,
Abdul Rohman
Publication year - 2021
Publication title -
iop conference series. materials science and engineering
Language(s) - English
Resource type - Journals
eISSN - 1757-899X
pISSN - 1757-8981
DOI - 10.1088/1757-899x/1011/1/012050
Subject(s) - chemometrics , chemistry , zingiberaceae , zingiber officinale , chromatography , curcuma , paeoniflorin , proton nmr , traditional medicine , rhizome , high performance liquid chromatography , stereochemistry , medicine
Curcuma xanthorrhiza is widely used in food and traditional medicine products. Due to its high demand, it is potential to be substituted or mixed with other species having similar appearance, therefore, rapid and reliable analytical method is highly required. The objective of this study was to develop 1 H-NMR spectroscopy and chemometrics of pattern recognition as a metabolite fingerprinting technique for authentication of C. xanthorrhiza from Zingiber montanum . The powdered rhizomes were extracted using combination of methanol-D4 and phosphate buffer pH 6.0 in deuterium oxide (1:1 v/v) containing trimethylsilyl propionic acid (TSP) for chemical shift calibration. The variables extracted from 1 H-NMR spectra were used for creating chemometrics models. Chemometrics of partial least square-discriminant analysis (PLS-DA) using 7 principal components (PCs) successfully classified between authentic and adulterated samples of C. xanthorrhiza with high value of R2X (0.988), R2Y (0.998), and Q2 (0.993). Moreover, chemometrics of orthogonal projection to latent structures-discriminant analysis (OPLS-DA) using 2 PCs and 4 orthogonal components perfectly discriminated authentic and adulterated samples of C. xanthorrhiza . The model showed high R2X (0.965), R2Y (0.976) as well as Q2 (0.946) values. Validation using permutation test confirmed the validity both PLS-DA and OPLS-DA models. It suggested that combination of 1 H-NMR and chemometrics method is promising for authentication of medicinal plants.