A Novel and Practical Chromatographic “Fingerprint-ROC-SVM” Strategy Applied to Quality Analysis of Traditional Chinese Medicine Injections: Using KuDieZi Injection as a Case Study

Yang, Bin; Wang, Yuan; Shan, Lanlan; Zou, Jingtao; Wu, Yuanyuan; Yang, Feifan; Zhang, Yani; Li, Yubo

doi:10.3390/molecules22071237

Cited by 24 publications

(10 citation statements)

References 15 publications

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“…HPLC fingerprint has become the most widely used method due to its high reproducibility and sensitivity [ 3 ]. The HPLC fingerprint method applied to QE of HMs is mainly based on the similarity of fingerprints and the presence or absence of chromatographic peaks among samples [ 4 , 5 ]; however, this method cannot identify what these peaks are. Q-TOF-MS/MS is a kind of tandem mass spectrometry providing a high mass resolution and accurate mass measurement for the structural elucidation of unknown chemicals [ 6 ] and can be used in the identification of common peaks in HPLC fingerprints.…”

Section: Introductionmentioning

confidence: 99%

Quality Evaluation of Artemisia capillaris Thunb. Based on Qualitative Analysis of the HPLC Fingerprint and UFLC-Q-TOF-MS/MS Combined with Quantitative Analysis of Multicomponents

Ying

Dou

Zhou

et al. 2021

Journal of Analytical Methods in Chemistry

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In this study, a new method was developed for the comprehensive quality evaluation (QE) of Artemisia capillaris Thunb. (A. capillaris, named Yinchenhao in Chinese), which is one of the most commonly used herbal medicines (HMs). First, fingerprints of 31 batch samples of A. capillaris were determined by HPLC, the reference fingerprint was established, and the common peaks were assigned. Second, the components of common peaks in the HPLC fingerprints were identified by ultrafast liquid chromatography- (UFLC-) Q-TOF-MS/MS. Finally, the contents of the components unambiguously confirmed by reference substances were determined, and the correlation between the contents of chlorogenic acid and the contents of others was analyzed. The results showed that there were 20 common peaks in the HPLC fingerprints of 31 batch samples. The components of these 20 common peaks were identified as ten organic acids, eight flavonoids, and two others. Among nine organic acids such as 1-caffeoylquinic acid, neochlorogenic acid, chlorogenic acid, caffeic acid, cryptochlorogenic acid, 1,3-dicaffeoylquinic acid, 3,4-dicaffeoylquinic acid, 3,5-dicaffeoylquinic acid, and 4,5-dicaffeoylquinic acid, three flavonoids such as rutin, hyperoside, and isoquercetin, and one other p-hydroxyacetophenone, a total of 13 ones were unambiguously identified by comparison with reference substances; one caffeoylquinic acid glucoside and one flavone di-C-glucoside were detected in A. capillaris for the first time. There were some differences in the contents of 13 components in different samples; chlorogenic acid could be regarded as the quality marker of A. capillaris. The current established method in this study can be used for the comprehensive QE of A. capillaris and can also provide reference for the QE of the other HMs.

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Section: Introductionmentioning

confidence: 99%

Quality Evaluation of Artemisia capillaris Thunb. Based on Qualitative Analysis of the HPLC Fingerprint and UFLC-Q-TOF-MS/MS Combined with Quantitative Analysis of Multicomponents

Ying

Dou

Zhou

et al. 2021

Journal of Analytical Methods in Chemistry

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“…Quality assessment of Chinese medicines (CMs) is an important issue in the modernization of traditional Chinese medicine (TCM), for CMs have been widely applied in clinical therapy in China and other developing countries [ 1 , 2 ]. Various analytical methods have been adopted to ensure the quality of CM products by measuring the concentration of major chemical ingredients by high performance liquid chromatography (HPLC), gas chromatography (GC), liquid chromatography-mass spectrometry (LC-MS), near-infrared spectroscopy (NIRS), and so on [ 3 ].…”

Section: Introductionmentioning

confidence: 99%

Identification of a Quality Marker (Q-Marker) of Danhong Injection by the Zebrafish Thrombosis Model

Zhao

Líu

et al. 2017

Molecules

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Quality-marker (Q-marker) is an emerging concept to ensure the quality and batch-to-batch consistency of Chinese medicine (CM). However, significant difficulties remain in the identification of Q-markers due to the unclear relationship between complex chemical compositions and the pharmacological efficacy of CM. In the present study, we proposed a novel strategy to identify the potential Q-marker of danhong injection (DHI) by an in vivo zebrafish thrombosis model. The anti-thrombotic effects of DHI and its major constituents were evaluated by the zebrafish model of arachidonic acid (AA)-induced thrombosis. The results indicated that DHI can attenuate tail venous thrombus and recover the decrease of heart red blood cell (RBC) intensity in a dose-dependent manner. The result that DHI prevented the formulation of thrombosis in zebrafish was also validated in the zebrafish thrombosis model with green fluorescence protein (GFP)-labeled hemoglobin. The major components of DHI, namely danshen (DS) and honghua (HH), as well as the major chemical constituents of DHI, also exerted anti-thrombotic effects, among which rosmarinic acid (RA) and p-coumaric acid (pCA) showed moderate anti-thrombotic effects. This is the first time that pCA from HH has been found as an active compound exerting an anti-thrombotic effect in a dose-dependent manner, whose IC50 value is approximately 147 μg/mL. By analyzing 10 batches of normal DHI samples and five abnormal samples by high-performance liquid chromatography (HPLC), we found the contents of pCA and RA can be positively correlated to the anti-thrombotic effect of DHI, suggesting that pCA and RA could be potential Q-markers of DHI to ensure batch-to-batch consistency. Our findings illustrated that discovering major active compounds from CM by in vivo pharmacological models can be a useful approach to identifying Q-markers of CM, and in vivo pharmacological models can be a potential tool to evaluate batch-to-batch consistency of CMs.

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“…The similarities of all 18 batches of R. tanguticum were >0.8 except two batches <0.8 and >0.7, of which three batches exceeded 0.9 (shown in Table 1). The similarity of fingerprints is generally used to evaluate the quality of an HM (Yang et al, 2017). The results indicated that there were certain quality differences between the three species of rhubarb; the quality of R. tanguticum was relatively good.…”

Section: Resultsmentioning

confidence: 99%

“…The similarity of fingerprints is generally used to evaluate the quality of an HM (Yang et al, 2017). The results indicated that there were certain quality differences between the three species of rhubarb; the quality of R. tanguticum was relatively good.…”

Section: Establishment Of the Hplc Fingerprint And Similarity Analysismentioning

confidence: 99%

Quality evaluation of rhubarb based on qualitative analysis of the HPLC fingerprint and UFLC–Q‐TOF–MS/MS combined with quantitative analysis of eight anthraquinone glycosides by QAMS

Dou

Ying

Zhou³

et al. 2021

Biomedical Chromatography

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Rhubarb is one of the most ancient and important herbal medicines, but its current quality evaluation (QE) methods have some limitations. In this study, a new method was developed for the comprehensive QE of rhubarb. First, fingerprints of 28 batches of three species of rhubarb samples were determined by HPLC, the reference fingerprint was established and the common peaks were assigned. Second, the components of common peaks in the fingerprints were identified by ultrafast liquid chromatography quadrupole time‐of‐flight mass spectrometry. Finally, a method for the simultaneous determination of the contents of eight anthraquinone glycosides in rhubarb using quantitative analysis of multiple components by a single marker (QAMS) was established, and the contents of these eight components in 28 batches of rhubarb determined by QAMS and the external standard method were compared. The results showed that there were 31 common peaks in the rhubarb fingerprint. The components of these 31 common peaks were identified, and 20 of them were unambiguously confirmed by reference substances, including eight anthraquinone glycosides. The contents of eight anthraquinone glycosides in the 28 batches of rhubarb determined by QAMS and the external standard method were not significantly different. In conclusion, the method established in this study can be used for the comprehensive QE of rhubarb and can also provide a reference for the QE of other herbal medicines.

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A Novel and Practical Chromatographic “Fingerprint-ROC-SVM” Strategy Applied to Quality Analysis of Traditional Chinese Medicine Injections: Using KuDieZi Injection as a Case Study

Cited by 24 publications

References 15 publications

Quality Evaluation of Artemisia capillaris Thunb. Based on Qualitative Analysis of the HPLC Fingerprint and UFLC-Q-TOF-MS/MS Combined with Quantitative Analysis of Multicomponents

Quality Evaluation of Artemisia capillaris Thunb. Based on Qualitative Analysis of the HPLC Fingerprint and UFLC-Q-TOF-MS/MS Combined with Quantitative Analysis of Multicomponents

Identification of a Quality Marker (Q-Marker) of Danhong Injection by the Zebrafish Thrombosis Model

Quality evaluation of rhubarb based on qualitative analysis of the HPLC fingerprint and UFLC–Q‐TOF–MS/MS combined with quantitative analysis of eight anthraquinone glycosides by QAMS

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