Geographic impact evaluation of the quality of Alismatis Rhizoma by untargeted metabolomics and quantitative assay

Wu, Jia; Yang, Wenzhi; Pan, Huiqin; Shuai, Yao; Wu, Wanying; Guo, De‐An

doi:10.1002/jssc.201700902

Cited by 21 publications

(15 citation statements)

References 18 publications

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“…After normalization to all compounds, a data matrix involving sample code, t R , m/z and normalized abundance was generated. The matrix exported from Progenesis QI software was further processed according to screening rules . Then, the obtained data was imported into SIMCA v14.1 software (Umetrics, Umea, Sweden) for further chemometric analysis including PCA and OPLS‐DA to differentiate five official botanical origins of Gou‐Teng.…”

Section: Methodsmentioning

confidence: 99%

“…Integrated with state‐of‐the‐art data acquisition and mining techniques, plant metabolomics offers accesses to comprehensively characterize and compare metabolites as well as discover discriminating markers assisting classification of plants . For the purpose of quality assessment, it has been successfully utilized to investigate plant‐derived medicines with different origins, different regions, different processing and so on . UHPLC‐hyphenated with high resolution mass spectrometry has been proven powerful in metabolite profiling and characterization due to its excellent chromatographic resolution, high sensitivity, and mass accuracy .…”

Section: Introductionmentioning

confidence: 99%

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A metabolomics strategy for authentication of plant medicines with multiple botanical origins, a case study of Uncariae Rammulus Cum Uncis

Pan

Yao

Shuai

et al. 2020

J of Separation Science

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Source authentication of herbal medicines was essential for ensuring their safety, efficacy and quality consistency, especially those with multiple botanical origins. This study proposed a metabolomics strategy for species discrimination and source recognition. Uncariae Rammulus Cum Uncis, officially stipulating the stems with hooks of five Uncaria species as its origins, was taken as a case study. Firstly, an untargeted MSE method was developed by ultra‐high performance liquid chromatography hyphenated with quadrupole time‐of‐flight mass spectrometry for global metabolite characterization. Subsequently, data pretreatment was conducted by using Progenesis QI software and screening rules. The obtained metabolite features were defined as variables for statistical analyses. Principal component analysis and chemical fingerprinting spectra suggested that five official species were differentiated from each other except for Uncaria hirsuta and Uncaria sinensis. Furthermore, orthogonal partial least squares discrimination analysis was performed to discriminate confused two species, and resulted in the discovery of nine contributing markers. Ultimately, a Support Vector Machine model was developed to recognize five species and predict origins of commercial materials. The study demonstrated that the developed strategy was effective in discrimination and recognition of confused species, and promising in tracking botanical origins of commercial materials.

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Section: Methodsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

A metabolomics strategy for authentication of plant medicines with multiple botanical origins, a case study of Uncariae Rammulus Cum Uncis

Pan

Yao

Shuai

et al. 2020

J of Separation Science

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“…AR has been used to cure dysuria, edema and hyperlipidaemia in clinical applications. As a valuable herb, AR is used in many traditional preparations . Its chemical composition includes terpenoids, fatty acids and alkaloids.…”

Section: Introductionmentioning

confidence: 99%

Establishing a rapid classification and identification method for the major triterpenoids of Alisma orientale

Yang

Dong

et al. 2019

Phytochemical Analysis

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Introduction Alismatis Rhizoma (AR) has been widely used to treat various diseases. Its complex chemical composition has caused certain difficulties in the analysis of this traditional Chinese medicine. Therefore, it is necessary to establish a method for the rapid classification and identification of the chemical constituents of AR. Objective This article describes a method for the rapid classification and identification of major triterpenoids in AR. Methodology The samples were analysed by ultra‐performance liquid chromatography quadrupole time‐of‐flight mass spectrometry (UPLC‐Q‐TOF‐MS). The assay was performed on a Waters ACQUITY UPLC BEH C18 column (100 mm × 2.1 mm, 1.7 μm) with 0.1% formic acid in water (A), and acetonitrile (B) as mobile phase by gradient elution at a flow rate of 0.3 mL/min. In the positive ion mode, the fragment information was obtained and compared with the characteristic fragments and neutral losses described in the literature. Then, the rapid classification and identification of the chemical components from AR were achieved. Results Finally, 25 triterpene compounds of AR were identified. Conclusions The method established in this study achieved the rapid classification and identification of chemical components in AR, which promotes the development of research methods to study the constituents of traditional Chinese medicine.

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“…Rapid development of mass spectrometry marked a new stage in the quality control of TCMs. Due to its higher selectivity and sensitivity, LC/MS has been applied widely for qualitative and quantitative analysis of TCMs [ 13 , 14 ]. On one hand, high resolution mass spectrometry (HRMS) cooperated with database retrieval and screening strategies accelerates the global profiling of natural products [ 8 ], unveiling their chemical components.…”

Section: Introductionmentioning

confidence: 99%

Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study

et al. 2018

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The mass spectrometry (MS) has been widely used for profiling chemical components of traditional Chinese medicine (TCM). However, there are few studies reporting quality control of TCM based on mass spectrometry fingerprint (MSF) due to its complicated operation and high cost. The aim of this study was to extend the application of MSF for quality evaluation of TCM. In this study, an MSF based on single quadrupole mass spectrometry method was established, and was successfully used for the quality control of Venenum bufonis (VB), a famous TCM which was used clinically for cancer treatment in China. The results showed that the superiority of MSF for more chemical information exposure and the finding of more potential chemical markers (eight versus four) compared with the traditional photo-diode array (a kind of ultra violet detector, PDA). Besides, the performance of MSF was also validated by similarity and principle component analysis (PCA) of MS data acquired on two other mass spectrometry (low-resolution, triple quadrupole, QQQ, and high-resolution, quadruple time-of-flight, Q-TOF), showing high consistency with QQQ and Q-TOF, but robustness with few parameters’ settings. Based on our study, MSF could be widely applied for the quality control of TCM.

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Geographic impact evaluation of the quality of Alismatis Rhizoma by untargeted metabolomics and quantitative assay

Cited by 21 publications

References 18 publications

A metabolomics strategy for authentication of plant medicines with multiple botanical origins, a case study of Uncariae Rammulus Cum Uncis

A metabolomics strategy for authentication of plant medicines with multiple botanical origins, a case study of Uncariae Rammulus Cum Uncis

Establishing a rapid classification and identification method for the major triterpenoids of Alisma orientale

Implementation of a Single Quadrupole Mass Spectrometer for Fingerprint Analysis: Venenum bufonis as a Case Study

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