21 results on '"Yingfeng Du"'
Search Results
2. Screening and Capability Assessment of Tyrosinase Inhibitors in Isodon excisoides by Ultrafiltration Coupled with UHPLC-Q-TOF-MS and Molecular Docking Technology
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Xinming Jia, Shilin Sun, Qian Zhang, Nan Wang, Mengxin Yang, Yiran Jin, and Yingfeng Du
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Monophenol Monooxygenase ,Ultrafiltration ,Reproducibility of Results ,Bioengineering ,General Chemistry ,General Medicine ,Biochemistry ,Molecular Docking Simulation ,Resveratrol ,Isodon ,Molecular Medicine ,Enzyme Inhibitors ,Molecular Biology ,Chromatography, High Pressure Liquid - Abstract
Tyrosinase inhibitors can alleviate the harm to the liver caused by tyrosinase. How to effectively screen out natural tyrosinase inhibitors becomes a focus. In this study, Isodon excisoides was first extracted with the ultrasound optimized by response surface methodology. Then, a method combined ultrafiltration with ultra-liquid chromatography mass spectrometry (UHPLC/MS) was built to screen and identify tyrosinase inhibitors. The binding energies of active ingredients to tyrosinase were calculated by molecular docking. The reliability of the results was validated by the IC
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- 2022
3. Study on mechanism of hepatoprotective effect of Chrysanthemum morifolium Ramat. based on metabolomics with network analysis and network pharmacology
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Mengxin Yang, Shilin Sun, Xinming Jia, Xuqing Wen, Xi Tian, Yukun Niu, Jinhuan Wei, Yiran Jin, and Yingfeng Du
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Clinical Biochemistry ,Cell Biology ,General Medicine ,Biochemistry ,Analytical Chemistry - Published
- 2023
4. Novel insight into the mechanism underlying synergistic cytotoxicity from two components in 5-Fluorouracil-phenylalanine co-crystal based on cell metabolomics
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Han Hao, Xinming Jia, Tiantian Ren, Yingfeng Du, and Jing Wang
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Tandem Mass Spectrometry ,Purines ,Phenylalanine ,Pharmaceutical Science ,General Medicine ,Fluorouracil ,Glycerophospholipids ,Biotechnology ,Drugs, Chinese Herbal - Abstract
Co-crystallization of active pharmaceutical ingredients (API) with co-formers can induce synergistic effects on cytotoxicity; however, the underlying mechanism is unclear. Here, cell metabolomics was used to gain insight into the mechanisms of synergistic effect from API and co-former in co-crystal. The 5-Fluorouracil-phenylalanine co-crystal system was selected as the model owing to the apparent difference of cytotoxicity occurring between co-crystal and physical mixture of two components (PM). The cytotoxicity of 5-FU, PM and co-crystal on B16 cells were evaluated by MTT assay. Based on the IC
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- 2022
5. Characterisation of hederacoside C metabolites using ultrahigh‐performance liquid chromatography quadrupole Orbitrap mass spectrometry based on automatic fragment ion search
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Cheng Li, Huijun Xu, Qiao Wang, Qian Sun, Wendan Zhang, Jianxi Yang, Honghong Jiang, and Yingfeng Du
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Plant Science ,Orbitrap ,Mass spectrometry ,01 natural sciences ,Biochemistry ,Hederacoside C ,Mass Spectrometry ,Analytical Chemistry ,law.invention ,Triterpenoid ,Triterpene ,In vivo ,law ,Drug Discovery ,Animals ,Oleanolic Acid ,Spectral data ,Chromatography, High Pressure Liquid ,chemistry.chemical_classification ,Chromatography ,Chemistry ,010401 analytical chemistry ,Orbitrap ms ,General Medicine ,0104 chemical sciences ,010404 medicinal & biomolecular chemistry ,Complementary and alternative medicine ,Molecular Medicine ,Chromatography, Liquid ,Food Science - Abstract
Introduction Hederacoside C (HDC) is a bioactive natural triterpenoid saponins constituent originating from traditional Chinese medicines, playing an important role in the treatment of acute respiratory infections and chronic inflammatory bronchitis. Meanwhile, it is recognised by Korea as a botanical drug. Objectives In order to develop an integrated template approach to analysing screening and identification of the metabolites of traditional Chinese medicines. This study will provide available information for further pharmaceutical studies of HDC and other triterpene saponins. Methodology An analysis strategy based on ultrahigh-performance liquid chromatography quadrupole Orbitrap mass spectrometry (UHPLC-Q-Orbitrap-MS) technique combined with automatic fragment ion search (FISh) was firstly exploited for the characterisation metabolites of HDC in vivo and in vitro. Accurate full mass scan combined with an on-line FISh annotations approach was developed to rapidly identify all the potential metabolites of HDC. Furthermore, FISh accurately located the structure of the target compound in a large number of mass spectral data. Results A total of 34 metabolites were detected and tentatively identified by analysing comprehensive biological samples. The results clearly demonstrated that HDC underwent general metabolic reactions including dealkylation, reduction, oxidation, desaturation, dehydration, cysteine conjugation, GSH conjugation, taurine conjugation, and glycine conjugation to produce 26 phase I and eight phase II metabolites. Conclusion In the present study, UHPLC-Q-Exactive Orbitrap MS technique combined with FISh provided a rapid and efficient platform to characterise metabolites of HDC in vivo and in vitro. The proposed method could develop an integrated template approach to screen and identify the constituents and metabolites of traditional Chinese medicines.
- Published
- 2020
6. A practical technique for rapid characterisation of ent-kaurane diterpenoids in Isodon serra (Maxim.) Hara by UHPLC-Q-TOF-MS/MS
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Weiwei Xie, Dedong Zhang, Xuqing Wen, Yuqian Zhang, Zhiqing Zhang, Yiran Jin, and Yingfeng Du
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Complementary and alternative medicine ,Tandem Mass Spectrometry ,Drug Discovery ,Isodon ,Molecular Medicine ,Plant Science ,General Medicine ,Diterpenes ,Diterpenes, Kaurane ,Biochemistry ,Chromatography, High Pressure Liquid ,Food Science ,Analytical Chemistry - Abstract
The diterpenoids are the most important active constituents that contribute to the pharmacological efficacy of Isodon serra (Maxim.) Hara. Clinical studies have revealed that diterpenoids possess multiple features, e.g. antitumour, antitubercular and anti-ischemic activities. Therefore, the identification and detection of diterpenoids may be equally important for understanding the pharmacological basis of diterpenoids and enhancing the product quality control of I. serra.The purpose of this study was to develop a practical analysis approach of rapid characterisation using ultrahigh-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS) for the structure characterisation of the ent-kaurane diterpenoids from I. serra.The analytical strategy was as follows: first, ent-kaurane diterpenoids were detected by a novel on-line data acquisition approach, i.e. sequential window acquisition of all theoretical fragment-ion spectra (SWATH). Second, the MS of eight ent-kaurane diterpenoids was explored, and their mass spectrum cleavage pathways were summarised and determined. Finally, the methanol extract of I. serra was studied using SWATH and identified by extracted ion chromatography (XIC).Compared to the traditional information-dependent acquisition (IDA) method, SWATH significantly improved the hit rate of ent-kaurane diterpenoids. With support from UHPLC separation and specific detection by tandem mass spectrometry (MS/MS), 48 ent-kaurane diterpenoids were successfully characterised and classified as ent-kaurane diterpenoids from a complex matrix.These combined qualitative methods were used to provide a potential approach for the characterisation of traditional Chinese medicine (TCM) and its preparations. Meanwhile, the SWATH provided a novel and reliable method for the structural characterisation of ent-kaurane diterpenoids from other complicated TCMs.
- Published
- 2021
7. UHPLC-Q-TOF-MS/MS based screening and identification of the metabolites in vivo after oral administration of betulin
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Miaomiao Jin, Huijun Xu, Wendan Zhang, Qian Sun, Liang Cao, Honghong Jiang, Yingfeng Du, and Qiao Wang
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Male ,0301 basic medicine ,Taurine ,Administration, Oral ,Urine ,01 natural sciences ,Rats, Sprague-Dawley ,Plasma ,03 medical and health sciences ,chemistry.chemical_compound ,Biotransformation ,Triterpene ,Tandem Mass Spectrometry ,In vivo ,Oral administration ,Drug Discovery ,Animals ,Bile ,Chromatography, High Pressure Liquid ,Demethylation ,Pharmacology ,chemistry.chemical_classification ,Betulin ,Chromatography ,Molecular Structure ,010401 analytical chemistry ,General Medicine ,Triterpenes ,Rats ,0104 chemical sciences ,030104 developmental biology ,chemistry ,Metabolome ,Pentacyclic Triterpenes - Abstract
Betulin is an active natural pentacyclic triterpene ingredient with valuable anti-cancer and anti-HIV efficacies. In the present study, an efficient approach was developed to screening and identification of metabolites and to assess the metabolic profiles of betulin in vivo using UHPLC-Q-TOF-MS/MS system based on multiple mass defect filter data acquisition (MMDF) and multiple data processing techniques. Based on the proposed method, 56 phase I and 6 phase II metabolites were detected in rats after oral administration of betulin. The main biotransformation routes of betulin were identified as demethylation, dehydroxylation, deoxidization, dehydration. Conjugation with sulfate, taurine, cysteine and N-acetylcysteine groups produced 6 phase II metabolites. This study not only provided useful information for further study of the pharmacology and mechanism of betulin in vivo, but also provided essential data for further pharmaceutical studies of other pentacyclic triterpenes.
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- 2018
8. Discrimination and Chemical Phylogenetic Study of Four Pulsatilla Herbs Using UPLC–ESI–MS/MS Combined with Hierarchical Cluster Analysis
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Wendan Zhang, Huijun Xu, Yan-mei Xu, Liang Cao, Gengshen Song, Yingfeng Du, Wei Guo, and Miaomiao Jin
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Spectrometry, Mass, Electrospray Ionization ,Formic acid ,Electrospray ionization ,Chemical Fractionation ,Mass spectrometry ,01 natural sciences ,Analytical Chemistry ,chemistry.chemical_compound ,Limit of Detection ,Tandem Mass Spectrometry ,Betulinic acid ,Cluster Analysis ,Chromatography, High Pressure Liquid ,Detection limit ,chemistry.chemical_classification ,Chromatography ,Plant Extracts ,010405 organic chemistry ,010401 analytical chemistry ,Extraction (chemistry) ,Selected reaction monitoring ,Reproducibility of Results ,Glycoside ,Equipment Design ,General Medicine ,0104 chemical sciences ,chemistry ,Linear Models ,Pulsatilla - Abstract
A tissue-smashing based ultra-rapid extraction coupled with ultra-performance liquid chromatography tandem-mass spectrometry (UPLC-MS/MS) method was developed to determine 10 major triterpenoid saponins from Pulsatilla herbs. Compound 4 was characterized as betulinic acid glycoside 3-O-α-arabinopyranosyl-28-O-β-glucopyranosyl-23-hydroxy with HR-ESI-MS, 1H-NMR and 13C-NMR experiment. The MS spectra result showed that the ionization of compound 4 was more efficient in the positive mode. Meanwhile, the ions at m/z 789.6 and m/z 627.5 were selected as precursor and product ion for the determination, respectively. The chromatographic separation was carried out on a Phenomenex Kinetex C18 column using a gradient mobile phase system composed of 0.1% formic acid both in methanol and water at a flow rate of 0.4 mL/min. The detection was performed by multiple reaction monitoring mode, using electrospray ionization in the positive and negative mode. The total run time was 6 min. The calibration curves possessed good linearity with all coefficients higher than 0.9987. The intra- and interday precisions were no more than 4.9%, and the average recoveries were from 97.6% to 103.4% with RSD
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- 2017
9. Metabolites identification of (+)-usnic acid in vivo by ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry
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Yiran Jin, Wenjing Sun, Lantong Zhang, Shuai Guan, Yingfeng Du, Huijun Xu, Ludan Hou, and Qiao Wang
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Male ,Spectrometry, Mass, Electrospray Ionization ,Metabolite ,Electrospray ionization ,Urine ,Mass spectrometry ,01 natural sciences ,Rats, Sprague-Dawley ,chemistry.chemical_compound ,Plasma ,In vivo ,Drug Discovery ,Animals ,Bile ,Chromatography, High Pressure Liquid ,Benzofurans ,Pharmacology ,Chromatography ,Molecular Structure ,010405 organic chemistry ,Usnic acid ,General Medicine ,Phenolic acid ,0104 chemical sciences ,Rats ,010404 medicinal & biomolecular chemistry ,chemistry ,Dihydroxylation ,Glucuronide - Abstract
(+)-usnic acid (UA) is an active natural phenolic acid ingredient originating from Chinese traditional Tibetan herb. Usnea acid is expected to become a new agent for anticancer and remarkable antitumor. To reveal its metabolic profile, metabolites identification of UA in vivo was studied using ultra-high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (UHPLC-Q-TOF-MS/MS) in this present study. The chromatographic separation was performed on a C18 column with a mobile phase consisted of methanol and water with a flow rate of 0.4 ml/min. The mass spectral analysis conducted in a negative electrospray ionization mode combined with information-dependent acquirement technology (IDA) was used to trace all the potential UA metabolites. Several sensitive and specific multiple data-mining techniques especially key product ions (KPIs) filter were applied to hunt and identify metabolites rapidly. As a result, a total of 36 metabolites were detected after oral administration of UA, including 33, 8 and 16 in rat urine, plasma and bile, respectively. These results showed that the probable metabolite pathways of UA were oxidation, reduction, dihydroxylation, glycine conjugation, glucuronide conjugation, N-acetylcysteine conjugation and methylation. It is the first time to elucidate the profile of UA in vivo. These results not only provided the basis of UA pharmacological properties, but also gave the guidance in clinical medication. Moreover, the analysis strategy and methodology proposed in this paper could be widely used in characterization of other phenolic acids metabolites.
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- 2018
10. Simultaneous determination of nine coumarins in rat plasma by HPLC–MS/MS for pharmacokinetics studies following oral administration of Fraxini Cortex extract
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Minmin Zhao, Qiao Wang, Huijun Xu, Chunying Wang, Shuang Wang, Weijing Ding, Yingfeng Du, and Shumin Jin
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Male ,Clinical Biochemistry ,Administration, Oral ,Aesculus ,Umbelliferone ,Sensitivity and Specificity ,030226 pharmacology & pharmacy ,01 natural sciences ,Biochemistry ,Analytical Chemistry ,Rats, Sprague-Dawley ,03 medical and health sciences ,chemistry.chemical_compound ,0302 clinical medicine ,Coumarins ,Tandem Mass Spectrometry ,Scopoletin ,Animals ,Protein precipitation ,heterocyclic compounds ,Chromatography, High Pressure Liquid ,Chromatography ,Chemistry ,010401 analytical chemistry ,Selected reaction monitoring ,Reproducibility of Results ,Cell Biology ,General Medicine ,Coumarin ,Rats ,0104 chemical sciences ,Linear Models ,Fraxin ,Fraxetin ,Aesculetin ,Drugs, Chinese Herbal - Abstract
A high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) method was developed for the simultaneous determination of nine coumarins including aesculin, aesculetin, fraxin, fraxetin, scopoletin, isoscopoletin, 6-hydroxy-7,8-dimethoxy coumarin, 8-hydroxy-6,7-dimethoxy coumarin and umbelliferone in rat plasma using nodakenin as the internal standard (IS). The plasma samples were pretreated by a one-step direct protein precipitation with methanol. The chromatographic separation was carried out on a C18 column with a gradient mobile phase consisting of methanol and water (containing 0.05% acetic acid). All analytes and IS were quantitated through electrospray ionization in negative ion multiple reaction monitoring (MRM) mode. This method was fully validated in terms of the sensitivity, specificity, accuracy, precision (intra- and inter-day), matrix effect, recovery as well as the stability of the analyte under various conditions, and the results satisfied the requirements of biological sample measurement. The validated method was successfully applied to pharmacokinetic study of the nine coumarins in rat plasma after oral administration of Fraxini Cortex aqueous extract, among which the pharmacokinetics of four coumarins including fraxetin, isoscopoletin, 6-hydroxy-7,8-dimethoxy coumarin and 8-hydroxy-6,7-dimethoxy coumarin were studied for the first time.
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- 2016
11. UPLC-QTOF-MS/MS based screening and identification of the metabolites in rat bile after oral administration of imperatorin
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Liang Cao, Miaomiao Jin, Gengshen Song, Yingfeng Du, and Huijun Xu
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Male ,Metabolite ,Clinical Biochemistry ,Administration, Oral ,Tandem mass spectrometry ,01 natural sciences ,Biochemistry ,Analytical Chemistry ,Rats, Sprague-Dawley ,chemistry.chemical_compound ,Tandem Mass Spectrometry ,Oral administration ,Furocoumarins ,Animals ,Bile ,Chromatography, High Pressure Liquid ,Chromatography ,010405 organic chemistry ,Chemistry ,Imperatorin ,Furocoumarin ,010401 analytical chemistry ,Cell Biology ,General Medicine ,Rats ,0104 chemical sciences ,Metabolic pathway ,Glucuronide ,Drug metabolism - Abstract
The detection of drug metabolites, particularly for minor metabolites, continues to be a challenge owing to the complexity of biological samples. Imperatorin is an active natural furocoumarin ingredient originating from many traditional Chinese herbal medicines. In the present study, the metabolites of imperatorin after oral administration were qualitatively investigated, and possible metabolic pathways of it were subsequently proposed. Bile samples were collected after oral administration and pretreated by the application of Waters Ostro. The QTOF-MS/MS data was acquired using ultra high performance liquid chromatography coupled to quadrupole time flight spectrometry (UPLC-QTOF-MS). Based on this analytical strategy, 32 metabolites (23 phase I and 9 phase II metabolites) were identified in rat bile. The results demonstrated that C5H8 could be easily eliminated from imperatorin forming the metabolite M1. It also indicated that imperatorin and M1 underwent extensive metabolic reactions including oxidation, hydrolysis, methylation, glucuronide conjugation, C2H5NO2S conjugation and C3H5NO2S conjugation. This is the first study of imperatorin metabolism in bile samples. The proposed metabolic pathways in this research will provide essential data for further pharmaceutical studies of other linear-type furocoumarins.
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- 2016
12. Identification of metabolites of oridonin in rats with a single run on UPLC-Triple-TOF-MS/MS system based on multiple mass defect filter data acquisition and multiple data processing techniques
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Huijun Xu, Yinghua Ma, Yingfeng Du, Yiran Jin, Tingting Tian, Kerong Zhang, Lantong Zhang, and Weiwei Xie
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Male ,Background subtraction ,Chromatography ,Chemistry ,Metabolite ,Clinical Biochemistry ,Ion chromatography ,Cell Biology ,General Medicine ,Tandem mass spectrometry ,Mass spectrometry ,Biochemistry ,High-performance liquid chromatography ,Rats ,Analytical Chemistry ,Triple quadrupole mass spectrometer ,Rats, Sprague-Dawley ,chemistry.chemical_compound ,Tandem Mass Spectrometry ,Animals ,Bile ,Time-of-flight mass spectrometry ,Diterpenes, Kaurane ,Chromatography, High Pressure Liquid - Abstract
Oridonin (ORI) is an active natural ent-kaurane diterpenoid ingredient originating from well-known traditional Chinese herb medicine and is expected to be pursued as a new anticancer agent. In the present study, a novel and efficient approach was developed for in vivo screening and identification of ORI metabolites using ultra high performance liquid chromatography coupled with hybrid triple quadrupole time-of-flight mass spectrometry (UPLC-Triple-TOF-MS/MS). This analytical strategy was as follows: an effective on-line data acquisition method multiple mass defect filter (MMDF) combined with dynamic background subtraction (DBS), was developed to trace all of potential metabolites of ORI. The MMDF and DBS method could trigger an information dependent acquisition scan, which could give the information of low-level metabolites masked by background noise and endogenous components in complex matrix. Moreover, the sensitive and specific multiple data-mining techniques including extracted ion chromatography, mass defect filtering, product ion filtering and neutral loss filtering were employed to identify the metabolites of ORI. Then, structures for the metabolites were successfully assigned based on accurate masses, the mass fragmentation of ORI and metabolic knowledge. Finally, an important parameter Clog P was used to estimate the retention time of isomers. Based on the proposed strategy, 16 phase I and 2 phase II metabolites were detected in rats after oral administration of ORI. The main biotransformation route of ORI was identified as reduction, oxidation, dehydroxylation and glucuronic acid conjugation. This is the first study of ORI metabolism in vivo. This study not only proposed a practical strategy for rapidly screening and identifying metabolites, but also provided useful information for further study of the pharmacology and mechanism of ORI in vivo. At the same time this methodology can be widely applied for the structural characterization of the metabolites of other ent-kaurane diterpenoid.
- Published
- 2015
13. Simultaneous determination of ginsenoside Rb1, naringin, ginsenoside Rb2 and oridonin in rat plasma by LC–MS/MS and its application to a pharmacokinetic study after oral administration of Weifuchun tablet
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Tingting Tian, Yingfeng Du, Huijun Xu, Yinghua Ma, and Yiran Jin
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Male ,Analyte ,Ginsenosides ,Electrospray ionization ,Clinical Biochemistry ,Administration, Oral ,Mass spectrometry ,Sensitivity and Specificity ,Biochemistry ,Analytical Chemistry ,Rats, Sprague-Dawley ,chemistry.chemical_compound ,Pharmacokinetics ,Tandem Mass Spectrometry ,Oral administration ,Animals ,Naringin ,Chromatography ,Selected reaction monitoring ,Reproducibility of Results ,Cell Biology ,General Medicine ,Rats ,chemistry ,Ginsenoside ,Flavanones ,Linear Models ,Diterpenes, Kaurane ,Chromatography, Liquid ,Drugs, Chinese Herbal - Abstract
A sensitive, specific and rapid liquid chromatography-mass spectrometry (LC-MS) method was developed and validated for analysis of ginsenoside Rb1, naringin, ginsenoside Rb2 and oridonin in rat plasma using sulfamethoxazole as an internal standard (IS). Separation was conducted out on an Agilent Eclipse XDB C18 column with liner gradient elution using acetonitrile (A) and 0.1% aqueous acetic acid (B). A tandem mass spectrometric detection was conducted using multiple reaction monitoring (MRM) via an electrospray ionization (ESI) source. A novel multi-determination-periods program was executed to achieve a higher sensitivity by setting three scanning periods. All analytes exhibited good linearity within the concentration range (r>0.9973). The lower limits of quantitation (LLOQ) of ginsenoside Rb1, naringin, ginsenoside Rb2 and oridonin were 2.64, 4.32, 2.32 and 1.56ng/mL, respectively. Intra-day and inter-day precisions of the investigated components exhibited an RSD within 8.3%, and the accuracy (RE) ranged from -8.6% to 6.0% at all quality control levels. The developed method was successfully applied to a pharmacokinetic study of ginsenoside Rb1, naringin, ginsenoside Rb2 and oridonin in rats after oral administration of a Weifuchun tablet.
- Published
- 2015
14. UPLC-Q-TOF-MS/MS-guided dereplication of Pulsatilla chinensis to identify triterpenoid saponins
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Miaomiao Jin, Huijun Xu, Liang Cao, Yingfeng Du, Wendan Zhang, Honghong Jiang, and Wei Guo
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Formic acid ,Negative mode ,Plant Science ,Tandem mass spectrometry ,01 natural sciences ,Biochemistry ,Analytical Chemistry ,chemistry.chemical_compound ,Triterpenoid ,Tandem Mass Spectrometry ,Drug Discovery ,Sugar moiety ,Medicine, Chinese Traditional ,Chromatography, High Pressure Liquid ,Chromatography ,010405 organic chemistry ,010401 analytical chemistry ,General Medicine ,Saponins ,Mass spectrometric ,Uplc q tof ms ,Triterpenes ,0104 chemical sciences ,Aglycone ,Complementary and alternative medicine ,chemistry ,Molecular Medicine ,Pulsatilla ,Food Science - Abstract
Introduction Triterpenoid saponins are the major bioactive constituents of Pulsatilla chinensis, playing an important role in various biological activities such as anti-tumour, cognition-enhancing, anti-biosis, anti-inflammatory, hypoglycemic and immunological adjuvant. Objective To establish a systematic strategy based on ultra-high-performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS) for the efficient characterisation and identification of triterpenoid saponins in crude extracts from Pulsatilla chinensis. Methodology In this work, the strategy includes two aspects: (1) positive mode: by target screening, we can deduce the aglycone type and the composition of sugar moiety according to the fragment ions; untargeted screening includes four steps, find unknown, formula finder, ChemSpider search and MS/MS identification; (2) negative mode: according to the MS/MS spectra, the composition of sugar chain bonded to C-28 is inferred reasonably. The extract of Pulsatilla chinensis was separated within 60 min on a C18 column and eluted with methanol and water both containing 0.1% formic acid. Results As a result, a total of 22 triterpenoid saponins (11 pairs of isomers) with four aglycone skeletons were tentatively identified or elucidated in crude extracts from Pulsatilla chinensis based on their retention times, the mass spectrometric fragmentation patterns, and MS and MS/MS data. Conclusion This study provides an efficient analysis strategy to rapidly identify the triterpenoid saponins in Pulsatilla species even in traditional Chinese medicines.
- Published
- 2017
15. A rapid method for simultaneous determination of triterpenoid saponins in Pulsatilla turczaninovii using microwave-assisted extraction and high performance liquid chromatography–tandem mass spectrometry
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Xiaowei Shi, Hong Zhu, Huijun Xu, Xiang Ji, Lantong Zhang, and Yingfeng Du
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Detection limit ,Electrospray ,Chromatography ,Central composite design ,Chemistry ,Extraction (chemistry) ,Analytical chemistry ,General Medicine ,Mass spectrometry ,Tandem mass spectrometry ,High-performance liquid chromatography ,Ion source ,Analytical Chemistry ,Food Science - Abstract
In the present study, a microwave-assisted extraction (MAE) and high performance liquid chromatography–tandem mass spectrometry (HPLC–MS/MS) method was developed for the simultaneous determination of seven triterpenoid saponins in Pulsatilla turczaninovii . Operational conditions of MAE were optimized using a central composite design. Multiple-reaction monitoring was employed for quantification while switching the electrospray ion source polarity between positive and negative modes. Full validation of the method was carried out (linearity, precision, accuracy, limit of detection and limit of quantification). The results indicated that the method was rapid, specific and reliable. The developed method was successfully applied to determine the investigated compounds in nine batches of P. turczaninovii . These samples were collected in different seasons from the Liaoning province and varied greatly. The total triterpenoid saponins content was the highest in April, the seedling stage, and decreased from May to August. The contents of total triterpenoid saponins decreased significantly after the blooming period.
- Published
- 2012
16. Quality Evaluation of a Herbal Prescription Through Quantification of 40 Components by HPLC-ESI-MS/MS
- Author
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Man Liu, Xiaowei Shi, Yingfeng Du’ Lantong Zhang, Songchen Liu, Minyan Liu, and Qiao Wang
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Detection limit ,Analyte ,Chromatography ,Negative mode ,Chemistry ,Formic acid ,Hplc esi ms ms ,Plant Science ,General Medicine ,Mass spectrometry ,Biochemistry ,Analytical Chemistry ,chemistry.chemical_compound ,Complementary and alternative medicine ,Drug Discovery ,Molecular Medicine ,Gradient elution ,Quadrupole ion trap ,Food Science - Abstract
Introduction The Kang-nao-shuai (KNS) capsule is a combined herbal prescription used in the treatment of insomnia, amnesia, neurasthenia, age-related dementia and brain injuries. Multiple constituents are considered to be responsible for the therapeutic effects of this herbal prescription. However, the quality control of the multicomponents is limited. Objective To establish a liquid chromatography–electrospray ionisation–mass spectrometry method for the analysis of 40 constituents in KNS capsules. Methodology The optimal chromatographic conditions were achieved on an Agilent C18-column with a gradient elution that consisted of methanol and 0.1% formic acid in water. The precursor and product ions of analytes were monitored on a hybrid quadrupole linear ion trap mass spectrometer in positive and negative mode respectively using multiple-reaction monitoring. Results A total of 40 constituents including organic acid, flavonoid, quinone, terpene, alkaloid and saponin were quantified, most of the 40 components were determined for the first time in the KNS capsule. A quantitative HPLC–ESI–MS/MS method allowing the quantification of 40 marker compounds was optimised and validated for linearity, precision, accuracy, stability, specificity and limits of detection and quantification. The method was successfully applied to analyse 10 batches of KNS capsule. Conclusion The established method is simple and can be used as a tool for quality evaluation and control of this natural product. Copyright © 2011 John Wiley & Sons, Ltd.
- Published
- 2011
17. Rapid method for simultaneous determination of 20 components in Isodon nervosa by high-performance liquid chromatography-electrospray ionisation tandem mass spectrometry
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Lantong Zhang, Xiaowei Shi, Pengwei Liu, Yingfeng Du, Qiao Wang, Yiran Jin, Xiaona Sheng, and Xiaowei Zhang
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Detection limit ,Electrospray ,Chromatography ,biology ,Elution ,Chemistry ,Formic acid ,Isodon ,Analytical chemistry ,Plant Science ,General Medicine ,biology.organism_classification ,Tandem mass spectrometry ,Mass spectrometry ,Biochemistry ,High-performance liquid chromatography ,Analytical Chemistry ,chemistry.chemical_compound ,Complementary and alternative medicine ,Drug Discovery ,Molecular Medicine ,Food Science - Abstract
Introduction – Isodon nervosa is a commonly used traditional Chinese medicine including diterpenoids, phenolic acids, triterpenoids and volatile oil. Qualitative and quantitative analysis of multi-components is important for its quality control. Objective – To establish a liquid chromatography–electrospray ionisation–mass spectrometry method for simultaneous analysis of 20 bioactive constituents of Isodon nervosa in different places of China and different parts of this herb. Methodology – The optimal chromatographic conditions were achieved on a C18 column (250 × 4.6 mm, 5 µm) with with linear gradient elution with 0.1% aqueous formic acid : methanol containing 0.1% formic acid at a flow-rate of 0.7 mL/min in 15 min. The identification and quantification of those analytes were achieved on a hybrid quadrupole linear ion trap mass spectrometer. Multiple-reaction monitoring scanning was employed for quantification with switching electrospray ion source polarity between positive and negative modes in a single run. Full validation of the method was carried out (linearity, precision, accuracy, limit of detection and limit of quantification). Results – The results indicated that the method was simple, rapid, specific and reliable. The proposed method was successfully applied for the qualitative and quantitative analysis of 20 chemical compositions in Isodon nervosa samples. Conclusion – Twenty chemical compositions in 21 batches of wild and cultivated Isodon nervosa samples from different sources had great variation in the contents. Copyright © 2010 John Wiley & Sons, Ltd.
- Published
- 2010
18. Simultaneous Quantification of 11 Constituents in Wuji Pill Using Ultra Performance Liquid Chromatography Coupled With a Triple Quadrupole Electrospray Tandem Mass Spectrometry
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Yingfeng Du, Tingting Tian, Yiran Jin, Weiwei Xie, Huijun Xu, and Yinghua Ma
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Electrospray ,Spectrometry, Mass, Electrospray Ionization ,Chromatography ,Elution ,Chemistry ,Electrospray ionization ,Selected reaction monitoring ,Analytical chemistry ,General Medicine ,Rutaecarpine ,Tandem mass spectrometry ,Mass spectrometry ,Analytical Chemistry ,Triple quadrupole mass spectrometer ,Tandem Mass Spectrometry ,Chromatography, High Pressure Liquid ,Drugs, Chinese Herbal - Abstract
An ultra performance liquid chromatography coupled with a triple quadrupole electrospray tandem mass spectrometry (UPLC-MS-MS) method was developed for analyzing and identifying the constituents of 11 compounds including berberine, epiberberine, berberrubine, jatrorrhizine, coptisine, palmatine, evodiamine, rutaecarpine, limonin, paeoniflorin and albiflorin in Wuji pill (WJ pill), a traditional Chinese medicine. The chromatographic separation was performed on a C18 column and the mobile phase was composed of water (0.1% formic acid and 2 mmol ammonium acetate) and methanol with a linear gradient elution. The detection was performed by multiple reaction monitoring mode, using electrospray ionization in the positive ion mode. The total run time was 14 min. The calibration curves were linear with all correlation coefficients higher than 0.9987 in the tested range. The intra- and interday precisions were no more than 4.9%, and the average recoveries were from 92.4 to 107.8% with the relative standard deviations no more than 7.8%. The developed method was successfully employed to analyze five batches of WJ pill samples. This is the first time to establish a method for the quality control of WJ pill to ensure the safety and efficacy in clinical applications effectively.
- Published
- 2014
19. Differentiation of Isodon japonica and Adulterants Based on Identification and Quantitation 14 Diterpenoids Using LC-MS-MS Library Search Approach and Hierarchical Cluster Analysis
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Tingting Tian, Minyan Liu, Yinghua Ma, Huijun Xu, Xin Wang, Yingfeng Du, Yiran Jin, and Weiwei Xie
- Subjects
Detection limit ,Spectrometry, Mass, Electrospray Ionization ,Chromatography ,biology ,Chemistry ,Plant Extracts ,Electrospray ionization ,Selected reaction monitoring ,Isodon ,Reproducibility of Results ,General Medicine ,biology.organism_classification ,Tandem mass spectrometry ,Mass spectrometry ,Japonica ,Analytical Chemistry ,Hierarchical clustering ,Limit of Detection ,Tandem Mass Spectrometry ,Calibration ,Cluster Analysis ,Humans ,Diterpenes ,Chromatography, Liquid - Abstract
The aim of this study was to investigate the chemical differences between genunine Isodon japonica and its adulterants. A linear ion trap liquid chromatography with tandem mass spectrometry analytical method has been developed for the identification and quantification of 14 major diterpenoids in I. japonica. Data acquisition was multiple reaction monitoring transitions mode followed by an information-dependent acquisition using the enhanced product ion (EPI) scan in a single run. The target compounds were further identified and confirmed using an EPI spectral library. Overall validation of the assay was carried out including linearity, accuracy, precision, limits of detection and quantification. The results demonstrated that the method was selective, sensitive and reliable. The determination results of 21 batches of I. japonica and adulterants were then analyzed and differentiated by hierarchical clustering analysis.
- Published
- 2014
20. Simultaneous determination of a novel diphenylpiperazine calcium channel blocker and its four metabolites in rat liver microsomes by liquid chromatography tandem mass spectrometry
- Author
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Yongli Wang, Wei Wang, Xiaowei Shi, Yingfeng Du, Wei Guo, and Dezhi Kong
- Subjects
Male ,Cinnarizine ,medicine.drug_class ,Hydrochloride ,Calcium channel blocker ,Tandem mass spectrometry ,Rats, Sprague-Dawley ,chemistry.chemical_compound ,Rat liver microsomes ,Sex Factors ,Liquid chromatography–mass spectrometry ,Tandem Mass Spectrometry ,medicine ,Animals ,Pharmacology ,Chromatography ,Reproducibility of Results ,General Medicine ,Metabolism ,Calcium Channel Blockers ,Rats ,Piperazine ,chemistry ,Microsomes, Liver ,Female ,medicine.drug ,Chromatography, Liquid - Abstract
Dipfluzine hydrochloride (Dip), a novel diphenylpiperazine calcium channel blocker, has revealed the characteristics of a promising candidate for the treatment of cerebral vascular diseases in preclinical studies. Our research identified and quantified Dip and its 4 metabolites (M1, M2, M4 and M5) in rat liver microsomes by liquid chromatography tandem mass spectrometry. The results showed that Dip was firstly metabolized to M1 and M5 by 1- and 4-dealkylation from a piperazine nitrogen, and then the latter was subsequently metabolized to M2 and M4. The concentrations of Dip, M1, M2 and M5 were 557.3 ± 26.3, 854.3 ± 46.0, 2796.7± 126.9, 2473.3 ± 82.6 and 4.0 ± 0.4, 2.4 ± 0.1, 318.2 ± 8.7 and 27.4 ± 1.5 ng/ml in male and female rats, respectively. M4 (404.2 ± 22.2 ng/ml) was detected only in males not in females, suggesting that there is gender difference in the metabolism of Dip.
- Published
- 2011
21. A sensitive analysis method for 7 diterpenoids in rat plasma by liquid chromatography-electrospray ionization mass spectrometry and its application to pharmacokinetic study of Isodon serra extract
- Author
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Hong Zhu, Na Wang, Pengwei Liu, Yingfeng Du, Xiaowei Shi, Chengcheng Zhao, and Lantong Zhang
- Subjects
Male ,Analyte ,Spectrometry, Mass, Electrospray Ionization ,Formic acid ,Electrospray ionization ,Analytical chemistry ,Mass spectrometry ,Biochemistry ,Sensitivity and Specificity ,Analytical Chemistry ,Rats, Sprague-Dawley ,chemistry.chemical_compound ,Pharmacokinetics ,Drug Stability ,Animals ,Least-Squares Analysis ,Chromatography ,Elution ,Plant Extracts ,Organic Chemistry ,Extraction (chemistry) ,Selected reaction monitoring ,Reproducibility of Results ,General Medicine ,Rats ,chemistry ,Isodon ,Diterpenes ,Chromatography, Liquid - Abstract
A simple and sensitive LC-MS/MS method has been developed and validated for the identification and quantification of epinodosin, epinodosinol, nodosin, oridonin, lasiokariurinol, lasiokaurin and rabdoternin A in rat plasma using sulfamethoxazole as the internal standard. The plasma sample pre-treatment consisted of a liquid-liquid extraction. Chromatographic separation was achieved on a C18 column with linear gradient elution using water and methanol, which were both acidified with 0.1% formic acid, at a flow rate of 0.7 mL/min. A tandem mass spectrometric detection was conducted using multiple reaction monitoring (MRM) via an electrospray ionization (ESI) source. A novel multi-determination-periods program was executed to achieve a higher sensitivity by setting five scanning periods. The method presented here utilizes a novel determination strategy, enabling the application of positive and negative ESI-MS in a single run. The optimized mass transition ion-pairs (m/z) for quantitation were 361.2/287.1 for epinodosin, 382.3/347.3 for epinodosinol, 363.3/281.2 for nodosin, 365.3/347.3 for oridonin, 407.3/329.1 for lasiokariurinol, 405.2/59.0 for lasiokaurin, 363.2/283.1 for rabdoternin A and 254.1/156.0 for IS. The total run time was 20.50 min (including 5 min equilibration time) between injections. The specificity, linearity, accuracy, precision, recovery, matrix effect and several validation results demonstrate that this method is sensitive, specific and reliable. The proposed method was further applied to investigate the pharmacokinetics of all analytes after a single oral administration of Isodon serra extract to rats.
- Published
- 2011
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