Abstract
Chemical profiling and standardization of the defatted methanol extract of the leaves of Vitex negundo L. were carried out using 13C nuclear magnetic resonance (NMR) analysis followed by chemometric analysis of the chemical shift data. Chemical profile was obtained using a k-means cluster profile and chemical standardization which was achieved using a multivariate control chart. The V. negundo samples were made up of four groups: the training set, submitted samples from production farms, commercial samples, such as tablets, capsules and teas, and experimental samples (samples which were allowed to degrade). Four groups were generated in k-means cluster, which generally corresponded to the four types of samples. The multivariate control chart identified samples whose quality exceeded the upper control limit, all of which were commercial samples and experimental samples. The samples were also analyzed by quantitative thin layer chromatography (qTLC) using agnuside as marker compound. Comparison of the qTLC results with the k-means cluster and the multivariate control chart showed poor correspondence. This means that a univariate analysis of a plant sample using a marker compound is useful only for quantification of the target compound. On the other hand, chemical profiling and standardization of medicinal plants should use a multivariate method. Key words: Vitex negundo, 13C NMR, multi-variate cluster profile, multi-variate control chart.
Highlights
With the growing interest in medicinal plants today, numerous plants which are traditional home remedies are being developed for commercial production
The overall objective of this paper is to explore the use of 13C nuclear magnetic resonance (NMR) together with multivariate statistical methods for the chemical profiling and standardization of medicinal plants
The official pharmacopoeia method for the validation of herbal medicines relies on the use of thin layer chromatography (TLC), gas chromatography (GC), or high performance liquid chromatography (HPLC) for the analysis of chemical markers or pharmacologically-active components (EDQM, 2007; WHO, 2011)
Summary
With the growing interest in medicinal plants today, numerous plants which are traditional home remedies are being developed for commercial production. This entails expansion of the supply chain from sourcing of validated planting material to farming and processing of the raw plant material, to manufacture of finished product. Because many herbal products are sold as dried plant material, such as tablets and teas, there is a need to develop effective methods of standardization and quality assurance.
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