The identification of adulteration practices of medicinal plants used as herbal medicine is very important to ensure the quality, safety, and efficacy. In this study, thin layer chromatography (TLC) and proton nuclear magnetic resonance (1H-NMR)-based metabolite fingerprinting coupled with multivariate analysis were used for authentication of Curcuma xanthorrhiza extract from Curcuma aeruginosa. Curcumin contents obtained from C. xanthorrhiza extract from various regions were in the range of 0.74%–1.23%. Meanwhile, curcumin contents obtained from C. xanthorrhiza extract adulterated with 0%, 10%, 25%, 40%, 50%, and 75% of C. aeruginosa were 1.02%, 0.96%, 0.86%, 0.69%, 0.43%, and 0.27%, respectively. The decreasing of curcumin contents in adulterant concentrations of 40% and more in C. xanthorrhiza rhizome could indicate the adulteration with other rhizomes. Multivariate analysis of PCA (principal component analysis) using data set obtained from 1H-NMR spectra clearly discriminated pure and adulterated C. xanthorrhiza with C. aeruginosa. OPLS-DA (orthogonal projections to latent structures-discriminant analysis) successfully classified pure and adulterated C. xanthorrhiza with higher R2X (0.965), R2Y (0.958), and Q2(cum) (0.93). It can be concluded that 1H-NMR-based metabolite fingerprinting coupled with PCA and OPLS-DA offers an adequate method to assess adulteration practice and to evaluate the authentication of C. xanthorrhiza extracts.
Objective: This study was aimed to apply metabolite fingerprinting for the authentication of Curcuma xanthorrhiza adulterated with Zingiber cassumunar using 1H-NMR spectroscopy and multivariate analysis (chemometrics) methods, namely principal component analysis (PCA) and partial least square–discriminant analysis (PLS-DA). Methods: The pure dried powder samples of C. xanthorrhiza from different regions, Z. cassumunar, and its binary mixtures of C. xanthorrhiza with various concentrations of Z. cassumunar as adulterants were prepared for 1H-NMR measurements. The binary mixtures were prepared by mixing C. xanthorrhiza with various concentrations (10%, 25%, 40%, 50%, and 75%) of Z. cassumunar. 1H-NMR spectra were subjected to multivariate analysis for classification using PCA and PLS-DA. Results: A diverse group of metabolites could be detected by 1H-NMR spectroscopy. PCA using the chemical shift in 1H-NMR spectra of the plant extracts as variables clearly discriminated pure C. xanthorrhiza extracts from different origins and C. xanthorrhiza extract adulterated with Z. cassumunar. PLS-DA employed to enhance the separation obtained from the PCA model resulted in well separation and good classification of pure C. xanthorrhiza from the adulterated ones. Conclusion: The developed method could be a useful and powerfull tools to assess adulteration practice and to evaluate the authentication of C. xanthorrhiza extracts.
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 1H-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 1H-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 1H-NMR and chemometrics method is promising for authentication of medicinal plants.
Curcuma xanthorrhiza rhizome is known to have several pharmacological activities and it is potential to be adulterated with other species having lower price such as Curcuma aeruginosa to gain more economic benefit. The objective of this study was to develop 1H-NMR spectroscopy combined with chemometrics of principal component analysis (PCA), partial least square-discriminant analysis (PLS-DA), and orthogonal projections to latent structures-discriminant analysis (OPLS-DA) for authentication of C. xanthorrhiza. PCA could be used for differentiation between pure and adulterated C. xanthorrhiza. Chemometrics of PLS-DA showed clear and better separation between authentic and adulterated samples. The obtained R2X was 0.975, R2Y was 0.993, and Q2(cum) was 0.986. OPLS-DA using two principal components and one orthogonal variabel provided complete separation between authentic and adulterated samples better than using PCA and PLS-DA. The model has a good fit indicated by high value of R2X (0.939) and R2Y (0.932) and a good predictivity indicated by its Q2 value (0.925). It can be concluded that combination of 1H-NMR spectroscopy and chemometrics of PCA, PLS-DA, and OPLS-DA could be used for authentication of C. xanthorrhiza adulterated with C. aeruginosa with OPLS-DA showed the best classification.
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