Quality Assessment of Medicinal Plants via Chemometric Exploration of Quantitative NMR Data: A Review

Abstract

Since ancient times, herbal medicines (HM) have played a vital role in worldwide healthcare systems. It is therefore critical that a thorough evaluation of the quality and control of its complicated chemical makeup be conducted, in order to ensure its efficacy and safety. The notion of HM chemical prints, which aim to acquire a full characterization of compound chemical matrices, has become one of the most persuasive techniques for HM quality evaluation during the last few decades. The link between NMR and chemometrics is discussed in this article. The chemometric latent variable technique has been shown to be extremely valuable in inductive studies of biological systems as well as in solving industrial challenges. The results of unsupervised data exploration utilizing main component analysis as well as the multivariate curve resolution, were various. On the other hand, many contemporary NMR applications in metabolomics and quality control are based on supervised regression or classification analyses.

Quantitative NMR spectroscopy of complex mixtures

“…As an illustration, a search limited to the 2022 literature with this exact term yields results as eclectic as (i) the monitoring of enzyme kinetics where absolute concentrations are monitored in the course of time, 8 (ii) the relative variation of lipoprotein profiles in a cohort of Alzheimer's disease patient serum samples, 9 or (iii) the quality assessment of medicinal plants by NMR and chemometric techniques. 10 Not only do these three examples-taken among many-illustrate a diversity of application areas, but they also cover a very different meaning of the word ''quantitative'', in terms of information being sought and of analytical target.…”

Metabolomic Analysis and in Vitro Investigation of the Biological Properties of a By‐Product Derived from Vicia faba

“…[10,12,21,22] Metabolomics is the comprehensive qualitative and quantitative estimation of all metabolites present in biological systems. [23] Inherently, ultra-high performance liquid chromatography (UHPLC) hyphenated with quadrupole-time-of-flight tandem mass spectrometry (QTOF-MS) has been proved to be a facile, and robust approach for the identification and characterization of the phytoconstituents of plant extracts. [23][24][25] Despite the excessive number of published research about V. faba, there are limited reports about the biological activities as well as the phytoconstituents of V. faba by-products.…”

“…[23] Inherently, ultra-high performance liquid chromatography (UHPLC) hyphenated with quadrupole-time-of-flight tandem mass spectrometry (QTOF-MS) has been proved to be a facile, and robust approach for the identification and characterization of the phytoconstituents of plant extracts. [23][24][25] Despite the excessive number of published research about V. faba, there are limited reports about the biological activities as well as the phytoconstituents of V. faba by-products. [1,10] Thus, in continuing to focus on V. faba by-products, this research is the initial of its type to assess antioxidant, anticholinesterase, and carbohydrate metabolizing enzymes inhibitory activities of 70 % MeOH extract of V. faba peels and its isolated compounds, and to provide in-depth information about its metabolomic profile.…”

“…Metabolomics is the comprehensive qualitative and quantitative estimation of all metabolites present in biological systems [23] . Inherently, ultra‐high performance liquid chromatography (UHPLC) hyphenated with quadrupole‐time‐of‐flight tandem mass spectrometry (QTOF‐MS) has been proved to be a facile, and robust approach for the identification and characterization of the phytoconstituents of plant extracts [23–25] …”

Primary Metabolite Screening Shows Significant Differences between Embryogenic and Non-Embryogenic Callus of Tamarillo (Solanum betaceum Cav.)

“…[14] and Zea mays [22]. These types of studies can be focused on particular sets of metabolites or metabolic pathways or use a wider approach by employing analytic techniques such as mass spectrometry or nuclear magnetic resonance (NMR) associated with chemometric methods to access the main metabolites of interest or to infer metabolic pathways involved in the responses [23,24]. Some works have also employed these methodologies in the search for biomarkers of a specific process, namely in the root development of Daucus carota, to assess the optimal harvest time and maximize bioactive compound accumulation in the final product [25].…”