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      Comprehensive Characterization and Identification of Chemical Constituents of Xiangsha Pingwei Pills by UPLC–Q-TOF-MS

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      Journal of AOAC International
      Oxford University Press (OUP)

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          Abstract

          Background

          Xiangsha Pingwei Pills (XPP) is a traditional Chinese medicine (TCM) prescription, which is widely used to treat epigastric pain in China. Its systematic chemical characteristics have rarely been reported, which hinders the interpretation of the material basis of its prescription.

          Objective

          To establish a rapid and effective component characterization method for XPP using ultra-HPLC–quadrupole time-of-flight tandem mass spectrometry (UPLC–Q-TOF-MS) and the data post-processing program, Peakview 1.2 software.

          Methods

          A UPLC-Q-TOF-MS method coupled with Peakview 1.2 software was successfully established for the first time to investigate the complex constituents of XPP. Accurate MS and MS/MS data were detected in positive and negative ion mode. The compounds were tentatively identified based on their retention times, MS, and MS/MS data, as well as reference standards and from the literature.

          Results

          The chemical profile of XPP was acquired, and a total of 130 compounds in XPP were preliminarily identified for the first time, including 6 organic acids, 59 flavonoids, 13 lignans, 20 terpenoids, 9 phenylpropanoids, 6 alkaloids, 5 amino acids, and 12 other compounds.

          Conclusion

          A rapid and effective UPLC-Q-TOF-MS method for the main chemical components of XPP has been established for further characterizing constituents and the overall quality control of XPP.

          Highlights

          This is the first report of a comprehensive analysis method for the main chemical components of XPP, which aims to lay a solid foundation for the chemical basis and overall quality control of XPP.

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          Most cited references26

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          Is Open Access

          The Flavonoid Biosynthesis Network in Plants

          Flavonoids are an important class of secondary metabolites widely found in plants, contributing to plant growth and development and having prominent applications in food and medicine. The biosynthesis of flavonoids has long been the focus of intense research in plant biology. Flavonoids are derived from the phenylpropanoid metabolic pathway, and have a basic structure that comprises a C15 benzene ring structure of C6-C3-C6. Over recent decades, a considerable number of studies have been directed at elucidating the mechanisms involved in flavonoid biosynthesis in plants. In this review, we systematically summarize the flavonoid biosynthetic pathway. We further assemble an exhaustive map of flavonoid biosynthesis in plants comprising eight branches (stilbene, aurone, flavone, isoflavone, flavonol, phlobaphene, proanthocyanidin, and anthocyanin biosynthesis) and four important intermediate metabolites (chalcone, flavanone, dihydroflavonol, and leucoanthocyanidin). This review affords a comprehensive overview of the current knowledge regarding flavonoid biosynthesis, and provides the theoretical basis for further elucidating the pathways involved in the biosynthesis of flavonoids, which will aid in better understanding their functions and potential uses.
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            Analytical strategies for the discovery and validation of quality-markers of traditional Chinese medicine

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              Characterization and classification of seven citrus herbs by liquid chromatography-quadrupole time-of-flight mass spectrometry and genetic algorithm optimized support vector machines.

              Citrus herbs have been widely used in traditional medicine and cuisine in China and other countries since the ancient time. However, the authentication and quality control of Citrus herbs has always been a challenging task due to their similar morphological characteristics and the diversity of the multi-components existed in the complicated matrix. In the present investigation, we developed a novel strategy to characterize and classify seven Citrus herbs based on chromatographic analysis and chemometric methods. Firstly, the chemical constituents in seven Citrus herbs were globally characterized by liquid chromatography combined with quadrupole time-of-flight mass spectrometry (LC-QTOF-MS). Based on their retention time, UV spectra and MS fragmentation behavior, a total of 75 compounds were identified or tentatively characterized in these herbal medicines. Secondly, a segmental monitoring method based on LC-variable wavelength detection was developed for simultaneous quantification of ten marker compounds in these Citrus herbs. Thirdly, based on the contents of the ten analytes, genetic algorithm optimized support vector machines (GA-SVM) was employed to differentiate and classify the 64 samples covering these seven herbs. The obtained classifier showed good prediction performance and the overall prediction accuracy reached 96.88%. The proposed strategy is expected to provide new insight for authentication and quality control of traditional herbs.
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                Author and article information

                Contributors
                Journal
                Journal of AOAC International
                Oxford University Press (OUP)
                1060-3271
                1944-7922
                August 01 2023
                July 17 2023
                February 17 2023
                August 01 2023
                July 17 2023
                February 17 2023
                : 106
                : 4
                : 1017-1036
                Article
                10.1093/jaoacint/qsad024
                4dfbecd3-184c-4ed1-8c12-4dac9f447d67
                © 2023

                https://academic.oup.com/pages/standard-publication-reuse-rights

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