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Article ; Online: Quality control and evaluation of Black chokeberry (Aronia melanocarpa) by three-wavelength fusion fingerprinting and electrochemical fingerprinting combined with antioxidant activity analysis.

Gu, Peifei / Chen, Ming / Sun, Guoxiang

2024 Volume 450, Page(s) 139303

Abstract: In this study, Black chokeberry (Aronia melanocarpa) was used as an example to provide reference for improving the safety, efficacy and quality consistency of homologous foods. In this study, two quality markers (Q-markers) of 27 batches of Black ... ...

Abstract	In this study, Black chokeberry (Aronia melanocarpa) was used as an example to provide reference for improving the safety, efficacy and quality consistency of homologous foods. In this study, two quality markers (Q-markers) of 27 batches of Black chokeberry were determined using high performance liquid chromatography (HPLC), and there were some differences among the 27 samples. Origin B samples had the highest levels of Q-markers for S15, and origin C had lower than average levels overall. Samples were analyzed qualitatively and quantitatively by Systematic Quantitative Fingerprinting (SQFM). Subsequently, a three-wavelength fusion analysis (TWFP) was established on the chromatographic data to compensate for the lack of a single wavelength. Fourteen batches of TWFP samples were rated at Level 5 or above in the SQFM assessment, indicating that there is some variation in the content of samples from different origins. Principal component analysis (PCA) was used to observe the differences in chemical composition and content of TWFP samples. Subsequently, electrochemical fingerprinting (ECFP) was established and nine characteristic parameters were recorded, showing that the samples were suppressed for all electrochemical Belousov-Zhabotinsky oscillation systems (B-Z oscillation systems). Finally, antioxidant tests were performed using DPPH. The antioxidant capacity was predicted using Partial Least Squares (PLS) analysis with R
Language	English
Publishing date	2024-04-09
Publishing country	England
Document type	Journal Article
ZDB-ID	243123-3
ISSN	1873-7072 ; 0308-8146
ISSN (online)	1873-7072
ISSN	0308-8146
DOI	10.1016/j.foodchem.2024.139303
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Article ; Online: Metabolite profiling analysis of plasma, urine, and feces of rats after oral administration of Flos Chrysanthemi Indici preparation through UHPLC-Q-Exactive-MS combined with pharmacokinetic study of markers by UHPLC-QQQ-MS/MS.

Dai, Tingting / Sun, Guoxiang

Analytical and bioanalytical chemistry

2022 Volume 414, Issue 13, Page(s) 3927–3943

Abstract: Zhenju Antihypertensive Tablet is one of the Flos Chrysanthemi Indici preparations (FCIP) with antihypertensive effect. In order to investigate its process in vivo, a method using ultra-high performance liquid chromatography coupled with quadruple ... ...

Abstract	Zhenju Antihypertensive Tablet is one of the Flos Chrysanthemi Indici preparations (FCIP) with antihypertensive effect. In order to investigate its process in vivo, a method using ultra-high performance liquid chromatography coupled with quadruple Exactive mass spectrometry (UHPLC-Q-Exactive-MS) was established for comprehensive analysis of the absorbed active component and metabolites in rat plasma, urine, and feces after the oral administration of FCIP. As a result, a total of 61 FCIP-related xenobiotics were identified, including 35 in plasma (25 prototypes, 10 metabolites), 40 in urine (23 prototypes, 17 metabolites), and 25 in feces (12 prototypes, 13 metabolites). The metabolism reactions included phase I reactions (such as oxidation, methylation, and reduction) and phase II reactions (such as sulfate conjugation and glucuronide conjugation). Meanwhile, a verified and optimized ultra-performance liquid chromatography with triple quadrupole mass spectrometry (UHPLC-QQQ-MS/MS) method was developed for the simultaneous investigation of the pharmacokinetic profiles of four markers in FCIP. The results showed that all of the four components had good oral absorption effect. This study simultaneously investigated the comprehensive metabolic profiling of FCIP in rat plasma, urine, and feces after the oral administration as well as the four components pharmacokinetic behavior. The results can provide the therapeutic material basis for FCIP.
MeSH term(s)	Administration, Oral ; Animals ; Antihypertensive Agents/analysis ; Chromatography, High Pressure Liquid/methods ; Drugs, Chinese Herbal/chemistry ; Feces/chemistry ; Rats ; Tandem Mass Spectrometry/methods
Chemical Substances	Antihypertensive Agents ; Drugs, Chinese Herbal
Language	English
Publishing date	2022-04-09
Publishing country	Germany
Document type	Journal Article
ZDB-ID	201093-8
ISSN	1618-2650 ; 0016-1152 ; 0372-7920
ISSN (online)	1618-2650
ISSN	0016-1152 ; 0372-7920
DOI	10.1007/s00216-022-04037-z
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Article: Metabolite profiling analysis of plasma, urine, and feces of rats after oral administration of Flos Chrysanthemi Indici preparation through UHPLC-Q-Exactive-MS combined with pharmacokinetic study of markers by UHPLC-QQQ-MS/MS

Dai, Tingting / Sun, Guoxiang

Analytical and bioanalytical chemistry. 2022 May, v. 414, no. 13

2022

Abstract	Zhenju Antihypertensive Tablet is one of the Flos Chrysanthemi Indici preparations (FCIP) with antihypertensive effect. In order to investigate its process in vivo, a method using ultra-high performance liquid chromatography coupled with quadruple Exactive mass spectrometry (UHPLC-Q-Exactive-MS) was established for comprehensive analysis of the absorbed active component and metabolites in rat plasma, urine, and feces after the oral administration of FCIP. As a result, a total of 61 FCIP-related xenobiotics were identified, including 35 in plasma (25 prototypes, 10 metabolites), 40 in urine (23 prototypes, 17 metabolites), and 25 in feces (12 prototypes, 13 metabolites). The metabolism reactions included phase I reactions (such as oxidation, methylation, and reduction) and phase II reactions (such as sulfate conjugation and glucuronide conjugation). Meanwhile, a verified and optimized ultra-performance liquid chromatography with triple quadrupole mass spectrometry (UHPLC-QQQ-MS/MS) method was developed for the simultaneous investigation of the pharmacokinetic profiles of four markers in FCIP. The results showed that all of the four components had good oral absorption effect. This study simultaneously investigated the comprehensive metabolic profiling of FCIP in rat plasma, urine, and feces after the oral administration as well as the four components pharmacokinetic behavior. The results can provide the therapeutic material basis for FCIP.
Keywords	absorption ; analytical chemistry ; antihypertensive effect ; feces ; metabolites ; methylation ; oral administration ; oxidation ; pharmacokinetics ; rats ; sulfates ; ultra-performance liquid chromatography ; urine ; xenobiotics
Language	English
Dates of publication	2022-05
Size	p. 3927-3943.
Publishing place	Springer Berlin Heidelberg
Document type	Article
ISSN	1618-2642
DOI	10.1007/s00216-022-04037-z
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Article ; Online: A new method to comprehensively evaluate the quality of Tianma Toutong tablets by multiple fingerprints combined with quantitative analysis and prescription analysis.

Wang, Siqi / Yang, Ting / Guo, Ping / Lan, Lili / Sun, Guoxiang

Journal of pharmaceutical and biomedical analysis

2024 Volume 242, Page(s) 116008

Abstract: Tianma Toutong Tablets (TMTTTs) are composed of six traditional Chinese medicines (TCMs), and there is currently no comprehensive method to evaluate the quality of TMTTT. To ensure its quality, it is necessary to propose methods for evaluation and ... ...

Abstract	Tianma Toutong Tablets (TMTTTs) are composed of six traditional Chinese medicines (TCMs), and there is currently no comprehensive method to evaluate the quality of TMTTT. To ensure its quality, it is necessary to propose methods for evaluation and control. To address the issue, we established an HPLC and electrochemical fingerprint of TMTTT and quantify eight components-Gastrodin, p-hydroxybenzyl alcohol, chlorogenic acid, parishin A, ferulic acid, hesperidin, imperatorin, and isoimperatorin. We used the Sub-quantified profiling method (SQPM) to calculate the actual contribution value of each individual herb and evaluated and predicted the quality of the compound medication. In addition, electrochemical fingerprinting (ECFP) was established using a Belousov-Zhabotinsky (B-Z) oscillation system in which six characteristic electrochemical parameters were recorded to compare the differences between batches. Finally, a compound synthesizing fingerprint (CSF) of TMTTT was developed by fitting the compounds of the six herbs, the contribution of individual herbs to the prescription was evaluated. Principal component analysis (PCA) was used to downscale the data of different fingerprint profiles to assist the analysis process. The rational combination of multidimensional fingerprinting and PCA provided a comprehensive and reliable method for the evaluation of TMTTT and other TCM compound preparations, SQPM could effectively link single herbs to compound preparations, avoiding the use of non-compliant TCMs at source and improving the quality of compound preparations.
MeSH term(s)	Drugs, Chinese Herbal/chemistry ; Quality Control ; Medicine, Chinese Traditional ; Tablets ; Chromatography, High Pressure Liquid/methods ; Biological Products ; Glucosides
Chemical Substances	Drugs, Chinese Herbal ; parishin ; Tablets ; Biological Products ; Glucosides
Language	English
Publishing date	2024-02-03
Publishing country	England
Document type	Journal Article
ZDB-ID	604917-5
ISSN	1873-264X ; 0731-7085
ISSN (online)	1873-264X
ISSN	0731-7085
DOI	10.1016/j.jpba.2024.116008
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Article ; Online: The analysis of active compounds in

Dai, Tingting / Sun, Guoxiang

Food & function

2021 Volume 12, Issue 4, Page(s) 1769–1782

Abstract: Flos Chrysanthemi Indici (FCI) is a common food and its preparation (FCIP) is generally made to realize the medicinal value of FCI in a more accurate and controllable way. In this paper, an efficient UHPLC Q Exactive HF Hybrid Quadrupole-Orbitrap MS ... ...

Abstract	Flos Chrysanthemi Indici (FCI) is a common food and its preparation (FCIP) is generally made to realize the medicinal value of FCI in a more accurate and controllable way. In this paper, an efficient UHPLC Q Exactive HF Hybrid Quadrupole-Orbitrap MS method was exploited to elucidate the difference of chemical components between FCI and FCIP. Multi-fingerprints (HPLC-FP, UV-FP, and DSC-FP) were established with the evaluation results integrated by a weighted mean algorithm using variation coefficient (CVWM), which is more objective and reasonable. Through this method, the quality grades of 25 FCIP samples from four manufacturers were successfully discriminated. Meanwhile, the PLS model for the profile-efficacy relationship between the HPLC-FP and the antioxidant activities was established, as well as the correlation between the antioxidant ability (IC50) and the DSC curve (enthalpy values) were preliminary explored. In conclusion, this study provides a novel and holistic analytical strategy for food herbal remedies and its preparation.
MeSH term(s)	Algorithms ; Antioxidants/analysis ; Antioxidants/chemistry ; Chromatography, High Pressure Liquid/methods ; Chrysanthemum/chemistry ; Drugs, Chinese Herbal/analysis ; Drugs, Chinese Herbal/chemistry ; Flavonoids/analysis ; Flavonoids/chemistry ; Flowers/chemistry ; Mass Spectrometry/methods ; Reproducibility of Results ; Sensitivity and Specificity
Chemical Substances	Antioxidants ; Drugs, Chinese Herbal ; Flavonoids
Language	English
Publishing date	2021-01-28
Publishing country	England
Document type	Journal Article
ZDB-ID	2612033-1
ISSN	2042-650X ; 2042-6496
ISSN (online)	2042-650X
ISSN	2042-6496
DOI	10.1039/d0fo03053h
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Article ; Online: Predictive quality control for compound liquorice tablets by the intelligent mergence fingerprint method combined with the systematic quantitative fingerprint method.

Hou, Zhifei / Sun, Guoxiang

Phytochemical analysis : PCA

2021 Volume 32, Issue 6, Page(s) 1118–1130

Abstract: Introduction: Compound liquorice tablet (CLT) is a herbal compound preparation and is used as a classic antitussive and expectorant in China. It is composed of liquorice extract powder, opioid powder, star anise oil, camphor, and sodium benzoate. The ... ...

Abstract	Introduction: Compound liquorice tablet (CLT) is a herbal compound preparation and is used as a classic antitussive and expectorant in China. It is composed of liquorice extract powder, opioid powder, star anise oil, camphor, and sodium benzoate. The complexity of herbal materials brings a huge challenge in producing compound preparations with stable and uniform quality consistency. Objective: To establish a new intelligent model for predicting the quality of CLT. Methods: The HPLC fingerprints of raw materials including liquorice extract powder, powdered opium, star anise oil, and sodium benzoate were tested and merged to generate the intelligent mergence fingerprints, whose correlation with the raw materials and the CLT samples was studied. The consistency of the intelligently merged fingerprints with the standard fingerprints was observed by using the systematic quantitative fingerprint method in order to calculate quality evaluation results. Results: The intelligent mergence fingerprints covered all the main fingerprint peaks of four raw materials and had a good correlation with the CLT sample fingerprint. There were no significant quality differences either among the six intelligent mergence models obtained by combining different batches of raw materials or between the reference fingerprint of the intelligent mergence connection fingerprints (RFP Conclusion: The computer-aided model of intelligent mergence fingerprints could be used to predict the quality of herbal compound preparations based on raw materials. In this way, preproduction quality prediction can be realised in order to avoid low-quality medicinal materials and improve the quality consistency among different batches.
MeSH term(s)	Chromatography, High Pressure Liquid ; Drugs, Chinese Herbal ; Glycyrrhiza ; Plant Extracts ; Quality Control ; Tablets
Chemical Substances	Drugs, Chinese Herbal ; Plant Extracts ; Tablets
Language	English
Publishing date	2021-05-05
Publishing country	England
Document type	Journal Article
ZDB-ID	1073576-8
ISSN	1099-1565 ; 0958-0344
ISSN (online)	1099-1565
ISSN	0958-0344
DOI	10.1002/pca.3053
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Article: Predictive quality control for compound liquorice tablets by the intelligent mergence fingerprint method combined with the systematic quantitative fingerprint method

Hou, Zhifei / Sun, Guoxiang

Phytochemical analysis. 2021 Nov., v. 32, no. 6

2021

Abstract: INTRODUCTION: Compound liquorice tablet (CLT) is a herbal compound preparation and is used as a classic antitussive and expectorant in China. It is composed of liquorice extract powder, opioid powder, star anise oil, camphor, and sodium benzoate. The ... ...

Abstract	INTRODUCTION: Compound liquorice tablet (CLT) is a herbal compound preparation and is used as a classic antitussive and expectorant in China. It is composed of liquorice extract powder, opioid powder, star anise oil, camphor, and sodium benzoate. The complexity of herbal materials brings a huge challenge in producing compound preparations with stable and uniform quality consistency. OBJECTIVE: To establish a new intelligent model for predicting the quality of CLT. METHODS: The HPLC fingerprints of raw materials including liquorice extract powder, powdered opium, star anise oil, and sodium benzoate were tested and merged to generate the intelligent mergence fingerprints, whose correlation with the raw materials and the CLT samples was studied. The consistency of the intelligently merged fingerprints with the standard fingerprints was observed by using the systematic quantitative fingerprint method in order to calculate quality evaluation results. RESULTS: The intelligent mergence fingerprints covered all the main fingerprint peaks of four raw materials and had a good correlation with the CLT sample fingerprint. There were no significant quality differences either among the six intelligent mergence models obtained by combining different batches of raw materials or between the reference fingerprint of the intelligent mergence connection fingerprints (RFPIMFC) and the theoretical standard preparation (RFPS). CONCLUSION: The computer‐aided model of intelligent mergence fingerprints could be used to predict the quality of herbal compound preparations based on raw materials. In this way, preproduction quality prediction can be realised in order to avoid low‐quality medicinal materials and improve the quality consistency among different batches.
Keywords	anise ; camphor ; licorice ; models ; oils ; phytochemicals ; prediction ; quality control ; sodium benzoate ; China
Language	English
Dates of publication	2021-11
Size	p. 1118-1130.
Publishing place	John Wiley & Sons, Ltd
Document type	Article
Note	JOURNAL ARTICLE
ZDB-ID	1073576-8
ISSN	1099-1565 ; 0958-0344
ISSN (online)	1099-1565
ISSN	0958-0344
DOI	10.1002/pca.3053
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Article ; Online: Anti-inflammation activity of Zhizi Jinhua Pills and overall quality consistency evaluation based on integrated HPLC, DSC and electrochemistry fingerprints.

Lan, Lili / Yang, Ting / Fan, Jiajia / Sun, Guoxiang / Zhang, Hong

Journal of ethnopharmacology

2023 Volume 311, Page(s) 116442

Abstract: Ethnopharmacological relevance: Zhizi Jinhua Pills (ZZJHP), a compound preparation composed of 8 traditional Chinese medicines (TCM), is widely used clinically to clearing heat, purging fire, cooling blood and detoxifying. However, the studies on its ... ...

Abstract	Ethnopharmacological relevance: Zhizi Jinhua Pills (ZZJHP), a compound preparation composed of 8 traditional Chinese medicines (TCM), is widely used clinically to clearing heat, purging fire, cooling blood and detoxifying. However, the studies on its pharmacological activity and the determination of active compounds are relatively few. There is a lack of quality control methods that can reflect the effectiveness of the drug. Aim of the study: The objective was to construct fingerprint profiles, conduct a spectrum-effect relationship study and establish an overall quality control method for ZZJHP through anti-inflammatory and redox activity studies. Materials and methods: Firstly, anti-inflammatory activity was tested using the xylene-induced ear edema model in mice. Then, Five-wavelength fusion HPLC fingerprint, electrochemical fingerprint, and Differential scanning calorimetry (DSC) profiling were established to evaluate ZZJHP more comprehensively, where Euclidean quantified fingerprint method (EQFM) was proposed for the similarity assessment of these three fingerprints. Moreover, the spectrum-activity relationship of HPLC-FP and DSC-FP with electrochemical activity helped explore the active components or ranges in the fingerprint. Finally, integrated analysis of HPLC, DSC and electrochemistry were used for the quality screen of samples from different manufacturers. Results: ZZJHP was found to significantly decrease the levels of both TNF-α and IL-6 in the mice. Qualitatively, the integrated similarity S Conclusions: This strategy will contribute to the quantitative characterization of TCM and promote the application of fingerprint technology in the phytopharmacy field.
MeSH term(s)	Animals ; Mice ; Drugs, Chinese Herbal/pharmacology ; Drugs, Chinese Herbal/analysis ; Chromatography, High Pressure Liquid/methods ; Calorimetry, Differential Scanning ; Electrochemistry ; Medicine, Chinese Traditional
Chemical Substances	Drugs, Chinese Herbal
Language	English
Publishing date	2023-03-31
Publishing country	Ireland
Document type	Journal Article
ZDB-ID	134511-4
ISSN	1872-7573 ; 0378-8741
ISSN (online)	1872-7573
ISSN	0378-8741
DOI	10.1016/j.jep.2023.116442
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Article ; Online: Evaluating the quality consistency of antiviral oral liquid by high-performance liquid chromatography five-wavelength matched average fusion fingerprint combined with electrochemical fingerprint and ultraviolet spectral quantum fingerprint.

Fan, Jiajia / Wang, Xinyi / Chang, Qian / Sun, Guoxiang / Lan, Lili

Journal of chromatography. A

2023 Volume 1702, Page(s) 464098

Abstract: The antiviral oral liquid (AOL) was an antiviral drug currently in clinical trials against coronavirus disease 2019. This study aimed to improve its quality consistency evaluation method using fingerprint techniques from several aspects. First, the five- ... ...

Abstract	The antiviral oral liquid (AOL) was an antiviral drug currently in clinical trials against coronavirus disease 2019. This study aimed to improve its quality consistency evaluation method using fingerprint techniques from several aspects. First, the five-wavelength matched average fusion fingerprint (FMAFFP) for HPLC, electrochemical fingerprint (ECFP), and ultraviolet spectral quantum fingerprint (UVFP) was established for 22 samples, respectively. Their quality was then assessed using the average linear quantitative fingerprint method, and 22 samples were classified into eight quality grades. OPLS and PCA were then used further to explore the characteristic parameters of these three fingerprints. Five compounds were quantified simultaneously for the first time, and then the relationship between the average linear quantitative similarity (P
MeSH term(s)	Humans ; Drugs, Chinese Herbal/chemistry ; Chromatography, High Pressure Liquid/methods ; Antiviral Agents ; Antioxidants/analysis ; COVID-19
Chemical Substances	Drugs, Chinese Herbal ; Antiviral Agents ; Antioxidants
Language	English
Publishing date	2023-05-23
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1171488-8
ISSN	1873-3778 ; 0021-9673
ISSN (online)	1873-3778
ISSN	0021-9673
DOI	10.1016/j.chroma.2023.464098
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Article ; Online: Quality control of Hugan capsule based on four-wavelength fusion profiling and electrochemical fingerprint combined with antioxidant activity and chemometric analysis.

Chen, Yantong / Lan, Lili / Sun, Wanyang / Zhang, Hong / Sun, Guoxiang

Analytica chimica acta

2023 Volume 1251, Page(s) 341015

Abstract: Improving the quality standard system of herbal preparations (HPs) is an arduous task for the development of traditional Chinese medicine (TCM). At present, an urgent task is to establish a comprehensive, scientific and effective evaluation method for ... ...

Abstract	Improving the quality standard system of herbal preparations (HPs) is an arduous task for the development of traditional Chinese medicine (TCM). At present, an urgent task is to establish a comprehensive, scientific and effective evaluation method for improving the safety, effectiveness and quality consistency of HPs. In this study, Hu Gan capsules (HGCs) were used as an example. Firstly, the three quality markers (Q-markers) in 21 batches of HGCs from 4 manufacturers were determined by HPLC and great difference in content of each sample was found. Furthermore, four-wavelength fusion profiling (FWFP) was established and evaluated by systematically quantified fingerprint method (SQFM). Principal component analysis (PCA) was employed to make a preliminary analysis of the FWFP and distinguish the fluctuation of differences in chemical composition and content. Then, 9 characteristic parameters were recorded through the B-Z oscillating system, and the electrochemical fingerprint (ECFP) was constructed for jointing evaluation with the FWFP, using the equal weight of SQFM results to comprehensively evaluate the sample quality. The 21 batches of samples were divided into four groups and six grades, which indicated that there were significant differences in the content of indicator components and electrochemical active substances in samples. Finally, taking vitamin C as a positive control, 2, 2'-azino-bis (3 - ethyl -benzthiazoline - 6 - sulfonic acid) (ABTS) scavenging assay was applied to study the antioxidant activity of samples. Partial Least Squares (PLS) and bivariate correlation analysis (BCA) were used to analyze the fingerprint-efficacy relationships of FWFP-ABTS and FWFP-ECFP. Consequently, it was found that there were similar antioxidant capacities in electrochemistry and ABTS tests, and 31 of the 40 HPLC fingerprint peaks of HGCs were discovered to have antioxidant activity. The two methods supported each other, to effectively and corporately reflect the antioxidant components in HGCs. In this research, the FWFP and ECFP established could realize the quality detection of HGCs, and provide a novel direction for the improvement of the quality standard of HPs and the research of the quality standard method of TCM.
MeSH term(s)	Antioxidants/chemistry ; Drugs, Chinese Herbal/analysis ; Chemometrics ; Quality Control ; Chromatography, High Pressure Liquid/methods ; Plant Preparations
Chemical Substances	Antioxidants ; Drugs, Chinese Herbal ; 2,2'-azino-di-(3-ethylbenzothiazoline)-6-sulfonic acid (28752-68-3) ; Plant Preparations
Language	English
Publishing date	2023-02-27
Publishing country	Netherlands
Document type	Journal Article
ZDB-ID	1483436-4
ISSN	1873-4324 ; 0003-2670
ISSN (online)	1873-4324
ISSN	0003-2670
DOI	10.1016/j.aca.2023.341015
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