JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2022
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IF 3.571
Xiaojiang Wang,Yukun Jiao,Haiyan Zhu,Yan Lu,Daofeng Chen
In the present study, a procyanidins-enriched fraction (PCE) from the rhizome of Fagopyrum dibotrys was obtained by anticomplement activity-guided fractionation. PCE could alleviate H1N1-induced ALI in mice by reducing weight loss, decreasing lung index, and regulating cytokine levels in lung tissue. PCE contained 76.5 ± 1.1% procyanidins with a mean degree of polymerization (mDP) of 5.24 ± 0.16. Meanwhile, thirty-three chemical constituents, including 27 procyanidins and 6 other compounds, were recognized by UPLC-Triple-TOF-MS/MS. Among them, twenty recognized procyanidins were composed of (epi)catechin with B-type link, while the rest consisted of (epi)catechin gallate . Furthermore, six compounds were obtained by preparative HPLC on a C 18 column (250 × 10.0 mm, 5 µm), and their structures were confirmed by mass spectrum (MS), nuclear magnetic resonance (NMR), and specific rotation. The structure-activity relationship analysis indicated that DP and galloylation were closely related to the anticomplement activity of procyanidins. The obtained results revealed that anticomplement procyanidins were one kind of the potentially effective materials of F. dibotrys against H1N1 influenza virus infection, and the in vivo efficacy of these compounds was worthy of further investigation.
研究领域:
药理学
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病毒学
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分析化学
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免疫学
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DOI
PubMed
高影响因子
ANALYTICA CHIMICA ACTA
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2023
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IF 6.2
Ziyi Li,Bing Wang,Kunhui Sun,Guo Yin,Ping Wang,Xie-an Yu,Chaofeng Zhang,Jiangwei Tian
Xuebijing injection (XBJ) has a good therapeutic effect on the patients with severe coronavirus disease, but the material basis of XBJ with the anticoagulant effect to improve the coagulopathy and thromboembolism is still unclear. Herein, we developed a new strategy based on aggregation-induced emission (AIE) for monitoring thrombin activity and screening thrombin inhibitors from XBJ. The molecule AIE 603 and the thrombin substrate peptide S-2238 were formed into AIE nanoparticle (AIENP) which emitted notable fluorescence due to the restriction of intramolecular motions. In the presence of thrombin, AIENP was specifically hydrolyzed and AIE 603 was released from AIENP, leading to the decrease of fluorescence intensity. Furthermore, AIENP was combined with ultra-high performance liquid chromatography-fraction collector (UHPLC-FC) and ultra-high performance liquid chromatography quadrupole-time-of-flight mass spectrometry (UHPLC-Q-TOF/MS) for separation, preparation, screening and identification of the thrombin inhibitors from XBJ, a total of 58 chemical constituents were identified, among which 6 compounds possessed higher anticoagulant activity. Notably, the overall inhibition rate of the 6 mixed standards was equivalent to about 60% of the inhibition rate of XBJ. Therefore, this work provides a novel, cheap and simple method for monitoring thrombin activity and is promising to screen active substances from traditional Chinese medicines.
研究领域:
药理学
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分析化学
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中医药
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PubMed
高影响因子
Chinese Journal of Natural Medicines
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2019
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IF 1.773
Da LI,Jian-Qi XIAO,Wen-Yuan LIU,Chao-Feng ZHANG,Toshihiro AKIHISA,Masahiko ABE,Eliot-T. MASTERS,Wei-Wei ZHAI,Feng FENG,Jie ZHANG
The aim of the study was to determine the feasibility of the Vitellaria paradoxa nutshell as a new medicinal resource for treating diabetes. A total of forty-one compounds were identified by HPLC-DAD-Q-TOF-MS and phytochemical methods in V. paradoxa nutshell methanol extract. Based on HPLC fingerprints, four characteristic constituents were quantified and the origin of twenty-eight V. paradoxa nutshells from seven sub-Saharan countries was compared, which were classified into three groups with chemometric method. Twenty-eight samples contained high total phenolic content, and exhibited moderate-higher antioxidant activity and strong α -glucosidase inhibitory activity. Furthermore, all fractions and isolated compounds were evaluated for their antioxidant and α -glucosidase inhibitory activities, and α -glucosidase inhibitory action mechanism of four characteristic constituents including protocatechuic acid, 3, 5, 7-trihydroxycoumarin, (2 R , 3 R )-(+)-taxifolin and quercetin was investigated via molecular docking method, which were all stabilized by hydrogen bonds with α -glucosidase. The study provided an effective approach to waste utilization of V. paradoxa nutshell, which would help to resolve waste environmental pollution and provide a basis for developing potential herbal resource for treating diabetes.
研究领域:
药理学
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药物化学
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植物科学
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环境科学
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DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
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2025
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IF 5.1
Xiaopan Liu,Mengge Zhao,Lanlan Wang,Yuting Chen,Guanghui Niu,Xingjie Zhang,Lihong Liu,Changpo Chen
Carboxyl-functionalized covalent organic framework (COF HD ) was synthesized and successfully applied as both an adsorbent and MALDI-MS matrix for the ultrasensitive detection and quantitative analysis of illicit cationic dyes in food samples with low matrix effects. Benefitting from its great thermal stability and strong UV absorption properties, COF HD was an ideal matrix for cationic dyes with no matrix background interference, high ionization efficiency, excellent salt tolerance, and superior reproducibility. Furthermore, the merits of numerous adsorption sites, good water dispersibility, and electronegative natures facilitated the efficient and selective enrichment of cationic dyes from solutions. The proposed method was further applied for the quantitative analysis of CV and RB in real food samples, such as chili, red wine, beverage samples, exhibiting a wide linear range (0.2–40 ng mL −1 for CV and 0.8–200 ng mL −1 for RB with R 2 > 0.98), ultra-high sensitivity (at subppt levels), excellent precision and accurate, satisfactory recovery, and low matrix effects (91.7 %–96.8 %). This work establishes a robust, high-throughput analytical platform for the sensitive detection and precise quantification of illicit cationic dyes in complex food matrices, providing a reliable tool for food safety monitoring.
研究领域:
分析化学
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食品安全
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材料科学
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质谱分析
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环境污染物检测
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高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2019
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IF 2.983
Fábio de Souza Barbosa,Leonardo Capra Pezzi,Marisa Tsao,Sandra Manoela Dias Macedo,Tiago Franco de Oliveira,Elfrides E.S. Schapoval,Andreas S.L. Mendez
An ESI-MS/MS method through direct infusion was validated for quantitative analysis of meropenem powder for injection. The validation parameters were established in a rapid analysis of 30 s. Drug stability was studied through the submission to stress testing, resulting on four degradation products. Under hydrolytic conditions, in acid, neutral and alkaline media, the major degradation product was formed through the cleavage of the β-lactam ring. Oxidation of the drug using H 2 O 2 (3%) showed the formation of two degradation products from a decarboxylation reaction and N-oxide formation. Under high humidity conditions, there was detected a dimer product. The stability of meropenem after reconstitution was studied in conditions that simulate its clinical use. In samples reconstituted and diluted in infusion fluids, an extensive degradation was observed. At room temperature meropenem maintained its content > 90% for up to 4 h when prepared in 5% glucose and for up to 12 h when prepared in 0.9% NaCl. Through ESI-MS/MS analyzes it was observed a degradation product formed by β-lactam ring cleavage, detected in all conditions studied. It was also identified a degradation product formed only in 5% glucose, generated by the hydrolysis of β-lactam followed by the attachment of a glucose molecule to the nitrogen of the pyrrolidine ring. In general, all the results obtained in the stability studies contribute to the knowledge about this antibiotic and future candidates of this class.
研究领域:
药学
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分析化学
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药物代谢
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DOI
PubMed
高影响因子
Journal of Analytical Methods in Chemistry
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2026
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IF 2.1
Mengyue Zhang,Feng Han,Mingxuan Yang,Zhishan Ye,Ying Cui,Yuefei Wang,Jing Yang,Xin Chai
Fuganlin oral liquid (FOL) has been clinically employed for the treatment of pediatric qi deficiency colds, manifesting symptoms such as fever, cough, asthma, and sore throat. However, the chemical composition and bioactive components of FOL have not been clearly elucidated. In this study, a comprehensive qualitative analysis of FOL was conducted utilizing ultra‐high‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry in conjunction with network pharmacology. A total of 124 chemical components were tentatively characterized, comprising flavonoids, phenolic acids, saponins, coumarins, and others. Among these, 43 compounds were unequivocally identified by comparison with authentic reference standards. Furthermore, network pharmacology analysis revealed that the ingredients of FOL exhibited anti‐inflammatory properties and demonstrated potential efficacy in relieving cough and asthma associated with respiratory tract infections. Collectively, this study provides the first comprehensive characterization of the chemical composition in FOL and explores the potential pharmacological mechanisms of its bioactive constituents, thereby providing scientific support for quality control standards and clinical applications.
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PubMed
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FOOD CHEMISTRY
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2021
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IF 7.514
Chen He,Jun Cao,Yuyan Bao,Zexin Sun,Zhongyuan Liu,Chuan Li
A lipidomic evaluation was performed on the tilapia muscle, head and viscera, including studying the composition, distribution and stereospecific characteristics of fatty acids and lipid species. The head and viscera lipids were significantly richer than the muscle lipids. Triacylglycerols were the predominant fraction (over 80% of total lipid in the muscle and head). Additionally, polyunsaturated fatty acids had higher percentages in phospholipids (30.35–52.05% of total fatty acids) than in triacylglycerols (18.11–25.15%). The C52:2 and C52:3 were the most abundant triacylglycerols, which indicates the potential application in infant food. Moreover, 622, 530 and 513 lipids were identified using ultraperformance liquid chromatography-quadrupole time-of-flight-mass spectrometry in the muscle, head and viscera, respectively. The three tilapia parts were distinguished using multivariate analysis. Five fatty acids and 33 lipid species were considered as the potential biomarkers. This comprehensive analysis will help to evaluate the lipid nutritional values and facilitate exploitation in tilapia consumption and processing.
研究领域:
营养学
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生物化学
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DOI
PubMed
高影响因子
Acta Pharmaceutica Sinica B
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2020
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IF 7.097
Sifan Luo,Linbo Guo,Caimin Sheng,Yumei Zhao,Ling Chen,Chufang Li,Zhengjin Jiang,Haiyan Tian
Neuraminidase inhibitors (NAIs) are the mainstay antiviral drugs against influenza infection. In this study, a ligand fishing protocol was developed to screen NAIs using neuraminidase immobilized magnetic beads (NA-MB). After verifying the feasibility of NA-MB with an artificial mixture including NA inhibitors and non-inhibitors, the developed ligand fishing protocol was applied to screen NAIs from the crude extracts of Duchesnea indica Andr. Twenty-four NA binding compounds were identified from the normal butanol ( n -BuOH) extract of D. indica as potential NAIs by high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC–Q-TOF-MS) assisted with Compound Structure Identification (CSI):FingerID, including 12 ellagitannins, 4 brevifolin derivatives, 3 ellagic acid derivatives, and 4 flavonoids. Among them, 9 compounds were isolated and tested for in vitro NA inhibitory activities against NA from Clostridium perfringens , and from oseltamivir sensitive and resistant influenza A virus strains. The results indicate that compound B23 has the NA inhibitory activities in both the oseltamivir sensitive and resistant viral NA, with half maximal inhibitory concentration (IC 50 ) values of 197.9 and 125.4 μmol/L, respectively. Moreover, B23 can obviously reduce the replication of oseltamivir sensitive and resistant viruses in Madin–Darby canine kidney (MDCK) cells at the concentrations of 40 and 200 μmol/L.
研究领域:
药理学
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病毒学
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分析化学
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植物科学
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产品关联
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
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2020
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IF 4.006
Shanshan He,Xin Liu,Yanling Wang,Jianhua Xie,Heng Gao,Xiujiang Li,Zhibing Huang
Monascus mold produces useful bioactive compounds such as Monascus pigments, monacolin K, and ergosterol . In this study, metabolomics analysis was used to investigate the metabolic profile changes in Monascus aurantiacus Li AS3.4384 (MALA) induced by genistein at different fermentation times using UHPLC-Q-TOF-MS/MS. The addition of genistein was found to not only reduce citrinin but also suppress significant differential metabolites. A total of 21 significant differential metabolites were involved in the most significant metabolic pathways (impact >0.1). These metabolites affected the aspartic acid , glutamic acid pathway, tricarboxylic acid (TCA) cycle, pyruvate synthesis pathway, and lysine degradation pathway. Thus, the addition of genistein may change the precursor for citrinin synthesis of Monascus . These findings provide significant insight into the Monascus metabolic pathways affected by genistein and will help to improve the quality control and safety of Monascus in food and supplements.
研究领域:
食品科学
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微生物学
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代谢组学
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DOI
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2020
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IF 3.209
Baolin Wang,Yimeng Lu,Rong Wang,Shumeng Liu,Xiaolong Hu,Hao Wang
Amentoflavone, a kind of biflavonoid existing in several medicinal plants such as Selaginella moellendorfi and Gingko biloba , possesses anti-inflammatory, antioxidant, anti-virus, anti-tumor activities. In the present study, a new reliable and sensitive UHPLC-ESI-MS/MS method was developed to determine the permeability of amentoflavone under different conditions, and its metabolites in Caco-2 cells were identified by means of UHPLC-Q-TOF-MS/MS method. The results showed that amentoflavone could be considered as a compound with moderate intestinal absorption in Caco-2 cell model and its absorption characteristics might be involved in paracellular passive penetration and clathrin-mediated endocytosis with no participation of efflux transporters. Eight metabolites of amentoflavone were identified in Caco-2 cell model, indicating that the main metabolic pathways were oxidation, reduction, methylation and glucuronide conjugation. This study can provide valuable evidence for an in-depth understanding of absorption mechanism and transformation of amentoflavone in the intestine.
研究领域:
药理学
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分析化学
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生物化学
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PubMed
高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2019
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IF 2.983
Lulu He,Jianqin Qian,Peixi Zhu,Weifeng Yang,Yuanbin She
A simple and sensitive method was developed for separation and characterization of seventeen impurities from commercial latamoxef sodium for injection by liquid chromatography combined with electrospray ionization and QTOF mass spectrometer (LC-ESI-QTOF MS). The chromatographic separation was performed on a Boston Green ODS-AQ C18 column (250 mm × 4.6 mm, 5 μm) under gradient mode using binary mobile phase: (A) ammonium acetate (10 mM)-methanol (99:1, v/v) and (B) ammonium acetate (10 mM)-methanol (70:30, v/v). Based on tandem multistage MS and high resolution MS data, the molecular formulas and structures of unknown impurities were inferred. A plausible formation mechanism of impurities was also proposed. In addition, the fragmentation regularity of degraded impurities in positive-ion mode was summarized.
研究领域:
分析化学
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药物化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF ETHNOPHARMACOLOGY
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2022
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IF 5.195
Didi Ma,Lijun Wang,Yibao Jin,Lifei Gu,Guo Yin,Jue Wang,Xie-an Yu,Houshuang Huang,Zhen Zhang,Bing Wang,Yi Lu,Kaishun Bi,Ping Wang,Tiejie Wang
Ethnopharmacological relevance Rhodiola crenulata (Hook.f. & Thomson) H.Ohba has a long history of clinical application for the prevention and treatment of acute mountain sickness (AMS) in traditional Chinese medicine . However, gaps in knowledge still exist in understanding the underlying mechanisms of Rhodiola crenulata against AMS. Aims To address this problem, a comprehensive method was established by combining UHPLC-Q-TOF-MS/MS analysis and network pharmacology . Materials and methods The ingredients of Rhodiola crenulata were comprehensively analyzed using UHPLC-Q-TOF-MS/MS method. On this basis, a network pharmacology method incorporated target prediction, protein-protein interaction network, gene enrichment analysis and components-targets-pathways network was performed. Finally, the possible mechanisms were verified through molecular docking, in vitro and in vivo experiments. Results A total of 106 constituents of Rhodiola crenulata were charactered via UHPLC-Q-TOF-MS/MS. The 98 potentially active compounds out of 106 were screened and corresponded to 53 anti-AMS targets. Gene enrichment analysis revealed that hypoxia and inflammation related genes may be the central factors for Rhodiola crenulata to modulate AMS. Molecular docking revealed that TNF, VEGFA and HIF-1α had high affinities to Rhodiola crenulata compounds. Subsequently, Rhodiola crenulata extract was indicated to inhibit the protein expression level of TNF in hypoxia induced H9c2 cells. Lastly, Rhodiola crenulata extract was further verified to ameliorate heart injury and decreased the heart levels of TNF, VEGFA and HIF-1α in acute hypoxia-induced rats. Conclusions This study used UHPLC-Q-TOF-MS/MS analysis and a network pharmacology to provide an important reference for revealing the potential mechanism of Rhodiola crenulata in the prevention and treatment of AMS.
研究领域:
药理学
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分析化学
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分子生物学
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中医药学
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产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）