An integration of UPLC-DAD/ESI-Q-TOF MS, GC–MS, and PCA analysis for quality evaluation and identification of cultivars of Chrysanthemi Flos (Juhua)

Nie, Jing; Xiao, Ling; Zheng, Lamei; Du, Zhifeng; Liú, Dan; Zhou, Jinjun; Xiang, Jin; Hou, Junjie; Xiaogang, Wang; Fang, Jinbo

doi:10.1016/j.phymed.2018.12.026

Cited by 40 publications

(16 citation statements)

References 29 publications

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“…To the best of our knowledge, no studies have investigated the components of the main volatile compounds in ‘Huangju’ chrysanthemum tea. Sesquithujene, nootkatene, β-curcumene, cedrol, and β-bisabolol are the primary compounds in ‘Hangju’ [ 39 ]. Compared with the volatile compounds in dried chrysanthemum flowers, the main volatile compounds in the ‘Hangju’ tea infusion were aldehydes (33.88%) and ketones (31.69%) ( Figure 6 D).…”

Section: Discussionmentioning

confidence: 99%

Characteristic Volatile Fingerprints of Four Chrysanthemum Teas Determined by HS-GC-IMS

Wang

Yang

et al. 2021

Molecules

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Volatile composition is an important feature that determines flavor, which actively affects the overall evaluation of chrysanthemum tea. In this study, HS-GC-IMS (headspace-gas chromatography-ion mobility spectrometry) was performed to characterize the volatile profiles of different chrysanthemum tea subtypes. Forty-seven volatiles of diverse chemical nature were identified and quantified. Partial least squares discriminant analysis (PLS-DA) revealed that four chrysanthemum teas were distinct from each other based on their volatile compounds. Furthermore, this work provides reference methods for detecting novel volatile organic compounds in chrysanthemum tea plants and products.

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Section: Discussionmentioning

confidence: 99%

Characteristic Volatile Fingerprints of Four Chrysanthemum Teas Determined by HS-GC-IMS

Wang

Yang

et al. 2021

Molecules

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“…22,23 This method aims to reduce the dimensionality of original data so as to visualise the clustering, trends and outliers among the observations. 24,25 In this study, PCA was carried out to discriminate and cluster bulbus F. unibracteata and F. ussuriensis according to their isosteroidal alkaloid contents. The results are shown in Figure 5.…”

Section: Chemometric Analysismentioning

confidence: 99%

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

Yang

Zhang

Yang³

et al. 2021

Phytochemical Analysis

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Introduction: Bulbus Fritillaria unibracteata Hsiao et K.C. Hsia is an important traditional Chinese medicine, widely used for the treatment of coughs, phlegm and asthma for thousands of years. Due to an increasing demand in clinic practices, a variety of substitutes have appeared in the market, resulting in a big challenge in the differentiation of bulbus F. unibracteata and its substitutes.Aim: To differentiate bulbus F. unibracteata and its substitutes (bulbus Fritillaria ussuriensis Maxim.) based on their main isosteroidal alkaloid contents, and to test the potentiality of chemometrics as a tool for discrimination. Materials and methods:The nine isosteroidal alkaloids in 61 batches of Fritillariae bulbus were simultaneously quantitated by liquid chromatography with tandem mass spectrometry (LC-MS/MS) method. Principal component analysis (PCA) and hierarchical cluster analysis (HCA) were applied to classify the two kinds of Fritillariae bulbus.Results: Quantitative analysis showed that there were differences in the content of the nine alkaloids between two kinds of Fritillariae bulbus. According to the content of nine isosteroidal alkaloids, bulbus of F. unibracteata and F. ussuriensis were successfully distinguished by PCA model. Among these isosteroidal alkaloids, verticine and verticinone may be used as potential chemical markers for the identification and differentiation between the two kinds of Fritillaria bulbus. Conclusion:The LC-MS/MS method coupled with PCA would be a powerful strategy to differentiate bulbus F. unibracteata and substitute specimens for quality evaluation and control.

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“…Currently, only chlorogenic acid, 3,5-O-dicaffeoylquinic acid and luteolin-7-O-β - D-glucoside are quantified as marker compounds for the quality control of Chrysanthemi Flos in the Chinese Pharmacopoeia. To evaluate the quality of Chrysanthemi Flos from different geographical origins, many holistic chemical profiling methods have been carried out, such as liquid chromatography-mass spectrometry (LC-MS) for the analysis of flavonoids and phenolic acids ( Ding et al, 2016 ; Nie et al, 2018 ; Zhang et al, 2018 ), and gas chromatography-mass spectrometry (GC-MS) for the analysis of volatile compounds ( Luo et al, 2017 ; Nie et al, 2018 ; Zhang et al, 2018 ). Obviously, flavonoids, phenolic acids, and volatile oils have been the main focus for most studies.…”

Section: Introductionmentioning

confidence: 99%

Discovery of Quality Markers of Nucleobases, Nucleosides, Nucleotides and Amino Acids for Chrysanthemi Flos From Different Geographical Origins Using UPLC–MS/MS Combined With Multivariate Statistical Analysis

et al. 2021

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Nucleobases, nucleosides, nucleotides and amino acids, as crucial nutrient compositions, play essential roles in determining the flavor, function and quality of Chrysanthemi Flos. The quality of Chrysanthemi Flos from different geographical origins is uneven, but there have been no reports about the screening of their quality markers based on nutritional ingredients. Here, we developed a comprehensive strategy integrating ultra performance liquid chromatography coupled with triple-quadrupole linear ion-trap tandem mass spectrometry (UPLC–MS/MS) and multivariate statistical analysis to explore quality markers of Chrysanthemi Flos from different geographical origins and conduct quality evaluation and discrimination of them. Firstly, a fast, sensitive, and reliable UPLC–MS/MS method was established for simultaneous quantification 28 nucleobases, nucleosides, nucleotides and amino acids of Chrysanthemi Flos from nine different regions in China. The results demonstrated that Chrysanthemi Flos from nine different cultivation regions were rich in the above 28 nutritional contents and their contents were obvious different; however, correlation analysis showed that altitude was not the main factor for these differences, which required further investigation. Subsequently, eight crucial quality markers for nine different geographical origins of Chrysanthemi Flos, namely, 2′-deoxyadenosine, guanosine, adenosine 3′,5′-cyclic phosphate (cAMP), guanosine 3′,5′-cyclic monophosphate (cGMP), arginine, proline, glutamate and tryptophan, were screened for the first time using partial least squares discriminant analysis (PLS-DA) and the plot of variable importance for projection (VIP). Moreover, a hierarchical clustering analysis heat map was employed to intuitively clarify the distribution of eight quality markers in the nine different regions of Chrysanthemi Flos. Finally, based on the contents of selected eight quality markers, support vector machines (SVM) model was established to predict the geographical origins of Chrysanthemi Flos, which yielded excellent prediction performance with an average prediction accuracy of 100%. Taken together, the proposed strategy was suitable to discover the quality markers of Chrysanthemi Flos and could be used to discriminate its geographical origin.

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An integration of UPLC-DAD/ESI-Q-TOF MS, GC–MS, and PCA analysis for quality evaluation and identification of cultivars of Chrysanthemi Flos (Juhua)

Cited by 40 publications

References 29 publications

Characteristic Volatile Fingerprints of Four Chrysanthemum Teas Determined by HS-GC-IMS

Characteristic Volatile Fingerprints of Four Chrysanthemum Teas Determined by HS-GC-IMS

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

Discovery of Quality Markers of Nucleobases, Nucleosides, Nucleotides and Amino Acids for Chrysanthemi Flos From Different Geographical Origins Using UPLC–MS/MS Combined With Multivariate Statistical Analysis

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