Metabolite Fingerprinting Based on 1H-NMR Spectroscopy and Liquid Chromatography for the Authentication of Herbal Products

Abstract

Herbal medicines (HMs) are regarded as one of the traditional medicines in health care to prevent and treat some diseases. Some herbal components such as turmeric and ginger are used as HMs, therefore the identification and confirmation of herbal use are very necessary. In addition, the adulteration practice, mainly motivated to gain economical profits, may occur by substituting the high price of HMs with lower-priced ones or by addition of certain chemical constituents known as Bahan Kimia Obat (chemical drug ingredients) in Indonesia. Some analytical methods based on spectroscopic and chromatographic methods are developed for the authenticity and confirmation of the HMs used. Some approaches are explored during HMs authentication including single-component analysis, fingerprinting profiles, and metabolomics studies. The absence of reference standards for certain chemical markers has led to exploring the fingerprinting approach as a tool for the authentication of HMs. During fingerprinting-based spectroscopic and chromatographic methods, the data obtained were big, therefore the use of chemometrics is a must. This review highlights the application of fingerprinting profiles using variables of spectral and chromatogram data for authentication in HMs. Indeed, some chemometrics techniques, mainly pattern recognition either unsupervised or supervised, were applied for this purpose.

Application of Chromatographic and Spectroscopic-Based Methods for Analysis of Omega-3 (ω-3 FAs) and Omega-6 (ω-6 FAs) Fatty Acids in Marine Natural Products

“…Identification of organic compounds or metabolites in plant/herb materials can be performed using combination LC-HR-MS/MS and many online MS databases. Reliable data can be only obtained if all methods used are validated prior to applications; for detailed discussion regarding this matter, refer to the previous publications by Riswanto et al and Irnawati et al [ 14 , 16 ]. If the recovery of the method using LC-MS/MS is not acceptable, the matrix effect should be evaluated [ 62 ].…”

“…Chemometrics can be described as the science implementing statistical and mathematical techniques to obtain relevant information related to process, design, and optimal selection by analyzing chemical data [ 12 , 13 ]. In the last two decades, chemometrics has been widely applied in the field of chemistry to enhance analytical methods such as spectroscopy and chromatographic-based methods [ 14 , 15 ]. Chemometrics of exploratory data analysis of Principal Component Analysis (PCA) was applied for authenticating several oils using an open source chemometrics software [ 16 ].…”

Flower Species Ingredient Verification Using Orthogonal Molecular Methods

“…Considered as a plant metabolite fingerprint, 1 H NMR provides spectra in which the areas of signal peaks are proportional to the total number of protons and relative concentrations in samples providing a qualitative and quantitative analysis of phytochemicals in a sample [ 62 ]. This method has been used for the identification of botanicals in natural herbals [ 63 , 64 , 65 , 66 , 67 ], meat identification and adulteration [ 68 , 69 , 70 , 71 ], fraudulent dairy food [ 72 ], fish fraud and mislabeling [ 73 , 74 ], coffee authentication and blend quantification [ 75 ], and quality control of wine [ 76 ]. Plants produce different metabolites within different plant parts, such as flowers, leaves, stems and roots, and these metabolite differences can be used to differentiate plant parts using NMR metabolite fingerprints [ 77 ].…”

Classification and Authentication of Lonicerae Japonicae Flos and Lonicerae Flos by Using 1H-NMR Spectroscopy and Chemical Pattern Recognition Analysis

“…Thus, it is necessary to focus on a new comprehensive, effective, and environmentally friendly method for the quality control of TCM. Nuclear magnetic resonance (NMR) technology, as one of the modern, accurate diagnostic methods, relies on the response of all proton-bearing compounds in the sample to achieve qualitative and quantitative analysis, which offers some advantages over other methods such as fast analysis, simple in sample preparation, it being highly robust and highly reproducible, having stronger specificity, not requiring specific reference substances, and not relying on chromatographic separation [20]. NMR can collect all the chemical information of TCM, which is consistent with the holistic idea of TCM and can be a more comprehensive and effective tool for quality control [21].…”