Abstract
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.
Highlights
In the last decade, the metabolomic approach has been established as a well-known technique in the field of plant science and natural product chemistry with the main objective to identify and quantify all the metabolites contained in an organism under certain condition [1, 2]
This study proposed the application of metabolite fingerprinting for the authentication of C. xanthorrhiza adulterated with Zingeber cassumunar (Zs). cassumunar using 1H-nuclear magnetic resonance (NMR) spectroscopy and chemometric methods of principal component analysis (PCA) and partial least square–discriminant analysis (PLS-DA)
Representative one-dimensional 1H-NMR spectra of C. xanthorrhiza extracts from different origins, Z. cassumunar extract, and C. xanthorrhiza adulterated with Z. cassumunar were shown in fig. 1. where a diverse range of metabolites of C. xanthorrhiza and Z. cassumunar could be observed
Summary
The metabolomic approach has been established as a well-known technique in the field of plant science and natural product chemistry with the main objective to identify and quantify all the metabolites contained in an organism under certain condition [1, 2]. One of the metabolomic approaches is metabolite fingerprinting, a method to classify and discriminate samples based on its metabolite pattern or ‘fingerprint’. Some of them were discrimination of wild or transgenic plants and monitoring the response of plants to stress or wounds Another important application of NMR-based metabolite fingerprinting is for classification and characterization of different species of medicinal plants, such as Curcuma xanthorrhiza. This approach can be a very powerful tool for quality control and authentication of C. xanthorrhiza used as a raw material in herbal medicine industries [1]
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