LC–MS/MS coupled with chemometric analysis as an approach for the differentiation of bulbus <i>Fritillaria unibracteata</i> and <i>Fritillaria ussuriensis</i>

Yang, Lin; Zhang, Mengrui; Yang, Tiechui; Ming, Tse Wai; Gaun, Tse Kathy Wai; Ye, Bengui

doi:10.1002/pca.3038

Cited by 18 publications

(3 citation statements)

References 16 publications

(24 reference statements)

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“…The LC–MS/MS analysis was performed in the following sequence concerning Yang's method 41 and with appropriate adjustments.…”

Section: Methodsmentioning

confidence: 99%

A distinction between Fritillaria Cirrhosa Bulbus and Fritillaria Pallidiflora Bulbus via LC–MS/MS in conjunction with principal component analysis and hierarchical cluster analysis

Liu

Tse³

et al. 2023

Sci Rep

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Fritillaria Cirrhosa Bulbus (known as chuanbeimu in Chinese, FCB) is one of the most used Chinese medicines for lung disease. However, a variety of substitutes have entered the market, with Fritillaria Pallidiflora Bulbus (FPB) being the most common. Due to their similarity in appearance, morphology, and chemical composition but a large price difference, the FCB has frequently been adulterated with the FPB, posing a serious challenge to the distinction and quality of the FCB. Therefore, we aimed to distinguish FCB and FPB based on their main nine isosteroidal alkaloid contents and test the potential of chemometrics as a discrimination approach for evaluating quality. The nine major isosteroidal alkaloids were measured using a liquid chromatography with tandem mass spectrometry (LC–MS/MS) approach in 41 batches of FCB and 17 batches of FPB. Additionally, they were categorized and distinguished using the methods of hierarchical cluster analysis (HCA) and principal component analysis (PCA). Quantitative analysis revealed that the nine alkaloids were present in different amounts in the two types of Fritillariae bulbus. In FCB, the highest amount was peimisine (17.92–123.53 μg/g) and the lowest was delavine (0.42–29.18 μg/g), while in FPB, imperialine was higher (78.05–344.09 μg/g), but verticinone and verticine were less than the other seven alkaloids. The FCB and FPB were successfully classified and distinguished by the HCA and PCA. Taken together, the method has a good linear relationship (R2 > 0.9975). The LOD and LOQ of the nine alkaloids were in the range of 0.0651–0.6510 and 0.1953–1.9531 ng/mL, respectively. The intra- and inter-day precision were shown to be excellent, with relative standard deviations (RSDs) below 1.63% and 2.39%, respectively. The LC–MS/MS method in conjunction with HCA and PCA can effectively differentiate FCB and FPB. It may be a promising strategy for quality evaluation and control at the FCB.

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“…The LC–MS/MS analysis was performed in the following sequence concerning Yang's method 41 and with appropriate adjustments.…”

Section: Methodsmentioning

confidence: 99%

A distinction between Fritillaria Cirrhosa Bulbus and Fritillaria Pallidiflora Bulbus via LC–MS/MS in conjunction with principal component analysis and hierarchical cluster analysis

Liu

Tse³

et al. 2023

Sci Rep

Self Cite

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“…PCA is a multivariate statistical method for dimensionality reduction of data in unsupervised mode, which can be used to construct a low-dimensional mode for the visualisation of the categories among samples. 41 By PCA, we can standardise multidimensional data by modelling, thus eliminating differences between variables with respect to the magnitude. In addition, it could also be used to calculate the eigenvectors, eigenvalues, and cumulative contribution of the correlation matrix of the standardised data.…”

Section: Pcamentioning

confidence: 99%

Exploring quality evaluation markers of Fructus Psoraleae based on chemometric analysis integrated with network pharmacology

Zhao,

Guo,

et al. 2023

Phytochemical Analysis

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IntroductionFructus Psoraleae (FP) is a well‐known traditional Chinese medicine for the treatment of osteoporosis. However, major quality differences were witnessed owing to its various origins, thus influencing its safety and efficacy.ObjectivesThe study aimed to evaluate the quality of FP from different origins and predict its quality evaluation markers.MethodsUltra‐high‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry was employed for tentative characterisation of the constituents in 10 batches of FP, followed by the utilisation of multivariate statistical analysis methods including principal component analysis and orthogonal partial least squares discriminant analysis for quality evaluation. Network pharmacology approaches were utilised to explore the underlying mechanism of the screened chemotaxonomic markers in treating osteoporosis.ResultsForty‐one components in FP including, chalcones, coumarins, coumestans, flavonoids, iso‐flavonoids, and phenolics, were characterised based on their fragmentation pathways. Ten batches of FP were basically divided into three categories, and eight chemotaxonomic markers including isopsoralen, calamenene, bakuchiol, psoralen, bavachinin, isoneobavaisoflavone, corylifol C, and neobavaisoflavone were screened. Network pharmacology revealed that the chemotaxonomic markers can act on targets such as AKT1, HSP90AA1, and EGFR and possess effects mainly through glycolysis and wnt/β‐catenin signalling to alleviate osteoporosis. Molecular docking and molecular dynamic simulation confirmed the good binding affinity and stability between proteins and selected markers. So, eight chemotaxonomic markers were all preferentially recommended as quality evaluation markers.ConclusionThe study not only provides a reference for the improvement of quality control of FP but also offers a theoretical basis for its further in‐depth research in osteoporosis.

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“…In recent years, various analytical techniques have been used to determine the components of WLZ, including solvent reflux, ultrasonic extraction and high‐performance liquid chromatography (HPLC); however, liquid chromatography–high‐resolution mass spectrometry has yet to be used. Ultra‐high‐performance liquid chromatography–high‐resolution mass spectrometry (UHPLC–HRMS) has proved to be a powerful tool for comprehensively analyzing multiple components of TCM extracts (Cheng et al, 2021; Hou et al, 2016; Yang et al, 2021). On the one hand, UHPLC could improve the performance and shorten the analytical time of the separation and identification of TCM constituents (Yuan et al, 2021; Zhang et al, 2013).…”

Section: Introductionmentioning

confidence: 99%

Quantification and holistic quality evaluation of Wulingzhi extract by UHPLC–Q‐Orbitrap–HRMS coupled with chemometric approaches

Wang,

Li,

Wang

et al. 2023

Biomedical Chromatography

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The excreta of Trogopterus xanthipes (“Wulingzhi” in Chinese, WLZ) is a well‐known traditional Chinese medicine. It has been used for centuries to treat amenorrhea, menstruation and postpartum abdominal pain. However, a systematic quality study on WLZ chemical markers has yet to be conducted. This study aimed to establish an ultra‐high‐performance liquid chromatography coupled with a hybrid quadruple extraction Orbitrap high‐resolution mass spectrometry (UHPLC–Q‐Orbitrap–HRMS) method for the simultaneous quantitative determination of 20 compounds in 53 batches of WLZ; the method rapidly and sensitively determined the 20 plant‐ or animal‐derived compounds. Firstly, the proposed approach was validated to satisfy the method’s linearity, detection limits, precision, repeatability, stability and accuracy. Subsequently, multivariate analysis was used to identify correlations between the samples and feed, processing and regions. Finally, this method was used to further identify chemical markers for quality control in combination with chemometrics. This is the first report on pinusolide, betaine, hippuric acid, 4‐oxorentinoic acid, 15‐methoxypinusolidic acid and 4‐oxoisotrentinoin in WLZ; the quality of WLZ became homogeneous after processing with vinegar (V‐WLZ). Moreover, we screened for potential component markers, including uridine, allantoin, amentoflavone, hippuric acid, 3,4‐dihydroxybenzoic acid, pinusolide, quercetin and kaempferol. These results were practical and efficient for the chemical clarification of WLZ and V‐WLZ.

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LC–MS/MS coupled with chemometric analysis as an approach for the differentiation of bulbus Fritillaria unibracteata and Fritillaria ussuriensis

Cited by 18 publications

References 16 publications

A distinction between Fritillaria Cirrhosa Bulbus and Fritillaria Pallidiflora Bulbus via LC–MS/MS in conjunction with principal component analysis and hierarchical cluster analysis

A distinction between Fritillaria Cirrhosa Bulbus and Fritillaria Pallidiflora Bulbus via LC–MS/MS in conjunction with principal component analysis and hierarchical cluster analysis

Exploring quality evaluation markers of Fructus Psoraleae based on chemometric analysis integrated with network pharmacology

Quantification and holistic quality evaluation of Wulingzhi extract by UHPLC–Q‐Orbitrap–HRMS coupled with chemometric approaches

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