Frontiers in Immunology
·
2024
·
IF 5.7
Qian Liping,Zeng Zehua
Introduction: The outbreak of SARS-CoV-2, leading to COVID-19, poses a major global health threat. While specific treatments and vaccines are under development, Traditional Chinese Medicine (TCM) has historically been effective against pandemics, including viral pneumonias. Our study explores the efficacy and mechanisms of Jinhua Qinggan Granules (JHQG) in treating COVID-19.Methods: We analyzed JHQG’s components using UHPLC-Q-Exactive-Orbitrap-MS, identifying 73 compounds. Network pharmacology and single-cell RNA sequencing (scRNA-seq) were used to assess JHQG’s effects on immune cells from peripheral blood mononuclear cells (PBMCs). Literature review supported the antiviral and anti-inflammatory effects of JHQG.Results: JHQG targets were found to interact with immune cells, including neutrophils, monocytes, plasmablasts, and effector T cells, reducing their overactivation in severe COVID-19. JHQG’s modulation of these cells’ activity likely contributes to reduced inflammation and improved clinical outcomes.Discussion: Our findings provide insights into JHQG's mechanism of action, highlighting its potential in controlling the inflammatory response in COVID-19 patients. The study supports the use of JHQG as a safe and effective treatment for COVID-19 and similar viral infections, leveraging its ability to modulate immune cell activity and reduce inflammation.
研究领域:
中药学
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免疫学
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病毒学
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PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
·
2018
·Vol. 33
·期 2
·e4400
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IF 1.688
Lihua Zuo,Zhi Sun,Zhenhui Wang,Daling Ding,Tanye Xu,Liwei Liu,Li Gao,Shuzhang Du,Jian Kang,Xiaojian Zhang
Xuebijing injection (XBJI) is a traditional Chinese medicine prescription extracted from five Chinese herbs. Hydroxysafflor yellow A, oxypaeoniflorin, ferulic acid and benzoylpaeoniflorin are the main bioactive ingredients of XBJI. This paper presents an application of ultra-high-performance liquid chromatography–Q–exactive hybrid quadrupole–Orbitrap high-resolution mass spectrometry (UHPLC–Q–Orbitrap HRMS) to quantify four compounds of XBJI in rats various tissues for tissue distribution studies. The analytes were separated on a Waters Acquity UHPLC ® BEH C 18 column with a gradient mobile phase consisting of acetonitrile–water (containing 0.1% formic acid) at a flow rate of 0.2 mL/min. Mass spectrometric detection was performed by parallel reaction monitoring via a heated electrospray ionization source under the negative ionization mode. The method was validated in various tissue samples, and has demonstrated great performance for rapidity, accuracy, high sensitivity and selectivity. It was successfully applied to the tissue distribution studies of XBJI after intravenous administration to rats. It was also the first study to investigate the tissue distribution of XBJI in rats and we found that the concentrations of four compounds were high in kidney, liver, stomach and intestine. The clinical use of XBJI should focus on its pharmacodynamics and safety studies in these tissues.
研究领域:
药理学
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分析化学
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中药学
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PubMed
高影响因子
FOOD CHEMISTRY
·
2023
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IF 8.8
Hongxia Liu,Yingying Liu,Haolei Han,Chengyin Lu,Hongping Chen,Yunfeng Chai
Phenolamides (PAs) are important secondary metabolites present in plants with multiple bioactivities. This study aims to comprehensively identify and characterize PAs in tea ( Camellia sinensis ) flowers using ultra-high-performance liquid chromatography/Q-Exactive orbitrap mass spectrometry based on a lab-developed in-silico accurate-mass database. The PAs found in tea flowers were conjugates of Z/E -hydroxycinnamic acids ( p -coumaric, caffeic and ferulic acids) with polyamines (putrescine, spermidine and agmatine). The positional and Z/E isomers were distinguished through characteristic MS 2 fragmentation rules and chromatographic retention behavior summarized from some synthetic PAs. 21 types of PAs consisting of over 80 isomers were identified, and the majority of them were found in tea flowers for the first time. Among 12 tea flower varieties studied, they all possessed tris -( p -coumaroyl)-spermidine with the highest relative content, and C. sinensis 'Huangjinya' had the highest total relative contents of PAs. This study shows the richness and structural diversity of PAs in tea flowers.
研究领域:
植物化学
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分析化学
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茶学
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PubMed
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2024
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IF 7.7
Changyan Dong,Yi Cheng,Meihui Zhang,Mianhua Chen,Zhongli Yan,Sumei Zhou,BenxuYang,Qingbin Guo,Changlu Wang,Shufen Wu
In this study, four Monascus pigments (ankaflavin, AK; monascin MS; rubropunctatin, O 1 ; monascorubrin, O 2 ) were proved to exhibit considerable anti-glycation properties in bovine serum albumin (BSA)-fructose model. AK (40.62 %) and MS (48.38 %) were found to exert lower inhibitory effects on the formation of fluorescent advanced glycation end products (AGEs) than aminoguanidine (59.4 %), while O 1 (90.64 %) and O 2 (93.82 %) displayed much stronger abilities. AK and MS could trap methylglyoxal (MGO) with maximum capture rates of 85.67 % and 84.90 %, respectively, and only mono-MGO adducts of them were detected. LC-Orbitrap MS/MS analysis revealed that four pigments significantly altered the type and reduced the number of the glycated sites and they all covalently bound to BSA, with O 1 and O 2 possessing high reactivity. Altogether, AK and MS suppressed fluorescent AGEs formation mainly via trapping MGO and covalently interacting with BSA, and blocking free amino groups was the dominant mechanism for O 1 and O 2 . These findings presented new insights into Monascus pigments as dietary supplement for inhibiting protein glycation.
研究领域:
生物化学
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食品科学
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药理学
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PubMed
高影响因子
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
·
2025
·Vol. 26
·期 20
·10231
·
IF 4.9
Di Zhang,Lu Jiang,Yujiang Dai,Xinxin Si,Huifang Li,Komal Anjum
The bleeding sap of Luffa cylindrica (L.) Roem has been used for the treatment of tuberculosis since the record of Supplements to Compendium of Materia Medica . The active components and possible mechanism of it are yet ambiguous. Hence, this study is focused on investigating the possible mechanism underpinning this effect on the perspective of the antioxidant ingredients from the bleeding sap. Through organic solvents extraction, HPLC fractionation, DPPH trials evaluation, and UHPLC-Orbitrap tandem MS identification, a total of 37 compounds were identified from the bleeding sap with the strongest antioxidant ability. Network pharmacology, bioinformatics, and molecular docking as well as literature review revealed 13 compounds, including linoleic acid, abietic acid, and tretinoin, that might exert their anti-tuberculosis function via actions with PPARγ or MAPK pathway. These findings offer guidance for the potential applications of Luffa cylindrica (L.) Roem as a functional food.
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高影响因子
MICROCHEMICAL JOURNAL
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2021
·
IF 4.821
Jian-Bo Chen,Xueyan Zhao,Zhenqi Zhang,Ya Chen,Xiaolin Fu,Yu Liu
Recently, 3,3-diamino-4,4-azoxyfurazan (DAAF) as one of most promising energetic furazan compounds has been widely studied because of its excellent explosive performances. Nowadays, the Oxone oxidation method is regarded as a main pathway to synthesize DAAF. However, several unknown impurities are yielded when the Oxone method is used to prepare DAAF. The identification of DAAF’s impurities is beneficial to optimize synthetic route of DAAF and then improve its purity. In this study, chemical structures of DAAF and its main impurities were analyzed by developing an unknown analysis workflow based on ultrahigh-performance liquid chromatography-tandem diode array detector -tandem high resolution mass spectrometry (UHPLC-DAD-HRMS). They were fully separated by UHPLC after the optimization of chromatographic conditions. HRMS based on a Q-Orbitrap system was performed to elucidate chemical structure of the impurities by determining exact mass of the impurities and their MS/MS fragments. Besides DAAF, eight unknown impurities were detected under negative ion mode ([M-H] - ) of HRMS with a heated electrospray ionization. Comprehensive analysis of UHPLC-DAD-HRMS provided more information including the retention time, UV–Vis spectrum, elementary composition and MS/MS fragments, and then possible structures of the impurities were proposed in this work. Further, the ion at m / z 211.0328, impurity I and impurity V were confirmed to be DAAF, DAF and DAAzF, respectively, through 1 H NMR and 13 C NMR after synthesizing their reference materials. In addition, the source of these impurities during the synthesis of DAAF has been analyzed. The impurities were originated from the precursor, the intermediate and byproduct of preparing DAAF through the hydrazine, the isomerism and the nitrosation.
研究领域:
化学
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材料科学
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DOI
高影响因子
Scientific Reports
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2026
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IF 3.9
Zou Yufeng,Xiao Shunli,Wang Jiayi,Chen Qiru,Shu Liangyin,Chen Yifan,Hu Dingli,Tan Yuhua,Yang Sixuan,Liu Lianghong,He Qingjiao,Liu LH.,He QJ.
Finger millet ( Eleusine coracana L., EC) is a nutritionally dense and medicinally valuable cereal crop with a long history of use in traditional health practices. Contemporary pharmacological studies have demonstrated that extracts from EC and its individual chemical constituents exhibit a wide range of health benefits and therapeutic properties. For instance, they possess antioxidant activity, can reduce blood glucose levels, and enhance gastrointestinal health. However, the full spectrum of their chemical constituents remains to be fully elucidated. In this study, we established a state-of-the-art analytical workflow integrating Ultra-High-Performance Liquid Chromatography coupled with Quadrupole-Orbitrap Mass Spectrometry (UHPLC-Q-Exactive Orbitrap MS) with Feature-Based Molecular Networking (FBMN) and Parallel Reaction Monitoring (PRM) for comprehensive chemical profiling of EC. A total of 126 compounds were unambiguously identified, including 64 flavonoids, 24 phenylpropanoids, 21 organic acids, and 22 other metabolites. Notably, 44 of these represent novel reports in EC, significantly expanding its known chemical repertoire. Further verification via Western Blot (WB) showed that the ethanol extract of EC (1 ~ 100 µg/mL) could concentration-dependently inhibit the overexpression of cyclooxygenase-2 (COX-2) and inducible nitric oxide synthase (iNOS) proteins in lipopolysaccharide (LPS)-induced RAW264.7 macrophages, which initially confirms its in vitro anti-inflammatory activity. The analytical method established in this study enables rapid and efficient identification of the major chemical constituents of EC, laying a foundation for its quality control, exploration of bioactive components, and mechanism research.
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高影响因子
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
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2026
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IF 3.4
Lin Chen,Han Huang,Zhonge Li
Four biomarkers were identified by UPLC-Q/Orbitrap HRMS and PLS-DA analysis. • Classification models were built with machine learning and four biomarkers. • The optimal decision tree model can effectively identify adulterated moxa floss. Detecting adulteration in closely related herbal medicines is a challenge for quality control and market standardization. This study aimed to identify whether Artemisia mongolica floss was adulterated into moxa floss. First, ultra-performance liquid chromatography coupled with quadrupole Orbitrap high-resolution mass spectrometry was employed to analyze the chemical compositions of moxa floss and Artemisia mongolica floss. Combined with partial least squares discriminant analysis, four key differential biomarkers were identified. Subsequently, high-performance liquid chromatography (HPLC) methods were established for these biomarkers, providing the data foundation for subsequent adulteration discrimination model development. Moreover, four machine learning classification models were constructed: logistic regression, decision tree, random forest, and extreme gradient boosting to compare their ability to identify adulterated samples. The results indicated that the decision tree model exhibited strong generalization capability and stability. Based on the established HPLC method and decision tree model, the ratio range of peak areas of the biomarker 5-hydroxy-3′,4′,6,7-tetramethoxyflavone to eupatilin or jaceosidin can be used as an indicator to effectively identify adulterated samples. In summary, the study established an analytical strategy for identifying specific markers, thereby facilitating practical discrimination in cases of moxa floss adulteration.
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高影响因子
PLoS One
·
2024
·Vol. 19
·期 6
·e0304852
·
IF 2.9
Jianting Ouyang,Danyao Lin,Xuesheng Chen,Yimeng Li,Qin Liu,Delun Li,Haohao Quan,Xinwen Fu,Qiaoru Wu,Xiaowan Wang,Shouhai Wu,Chuang Li,Yi Feng,Wei Mao
Background
Known for its strong diuretic properties, the perennial herbaceous plant Orthosiphon stamineus Benth. is believed to preserve the kidney disease. This study compared the boiling water extract with powdered Orthosiphon stamineus Benth. and used a highly sensitive and high resolution UHPLC-Q-Exactive-Orbitrap-HRMS technology to evaluate its chemical composition.
Results
Furthermore, by monitoring the absorption of prototype components in rat plasma following oral treatment, the beneficial ingredients of the Orthosiphon stamineus Benth. decoction was discovered. Approximately 92 substances underwent a preliminary identification utilizing relevant databases, relevant literature, and reference standards. As the compound differences between the powdered Orthosiphon stamineus Benth. and its water decoction were analyzed, it was found that boiling produced additional compounds, 48 of which were new. 45 blood absorption prototype components and 49 OS metabolites were discovered from rat serum, and a kidney tissue homogenate revealed an additional 28 prototype components. Early differences in the distribution of ferulic acid, cis 4 coumaric acid, and rosmarinic acid were shown using spatial metabolomics. It was elucidated that the renal cortex region is where rosmarinic acid largely acts, offering a theoretical foundation for further studies on the application of OS in the prevention and treatment of illness as well as the preservation of kidney function.
Significance
In this study, UHPLC–Q Exactive Orbitrap–HRMS was employed to discern OS’s chemical composition, and a rapid, sensitive, and broad-coverage AFADESI-MSI method was developed to visualize the spatial distribution of compounds in tissues.
研究领域:
植物化学
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药理学
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分析化学
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PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
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2024
·
IF 4
Xiaomin Chang,Xiaolong Li,Huimin Zhao,Wenchao Qian,Jiani Liu,Yu Zhang,Baoqing Zhu,Xiangyu Wang
The changes in the composition of aroma compounds and sensory characteristics of 19 sunflower seed oils (SSOs) during different seed roasting processes (roasting temperatures (110–190 °C) and roasting times (20/30 min) and their relationship were investigated. Using high-resolution gas chromatography–Orbitrap mass spectrometry, 106 volatile compounds were identified and categorized into four groups, each reflecting the roasting degree. The SSO samples were characterized as “raw sunflower seed”, “sweet”, “fried instant noodles”, “roasted sunflower seed”, and “burnt” attributes through quantitative descriptive analysis. The complex relationships between sensory qualities and volatile components were revealed by partial least squares regression and sensory molecular network analyses. Because excess “burnt” affected the aroma, the important aroma compounds for “burnt” were quantified. Based on the odor activity values and two-alternative forced choice experiments, ( E )-2-octenal, 2-methylpropanal, ( E,E )-2,4-decanedienal, acetoin, 2,5-dimethylpyrazine, and 2,3,5-trimethylpyrazine were considered as the key material basis of “burnt” attribute. This study validates that regulating the roasting process can improve the sensory quality of SSOs.
研究领域:
食品科学
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分析化学
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DOI
高影响因子
Journal of Analytical Methods in Chemistry
·
2022
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IF 2.594
Shihan Qin,Mingjuan Liu,Sunv Tang,E. Shuai,Ziming Wang,Kaiquan Yu,Wei Cai
Diospyros lotus L, F. Ebenaceae, is an edible fruit that is widely distributed in China and other Asian countries. Presently, Diospyros lotus L can be used to treat patients with diabetes; however, its chemical composition and pharmacological profiles remain to be elucidated. This study investigated the potential bioactive compounds of Diospyros lotus L and their mechanisms of action using LC-MS and network pharmacology analysis. First, the components of Diospyros lotus L were identify using a reliable strategy for UHPLC-Q-Exactive Orbitrap mass spectrometry combined with parallel reaction monitoring (PRM) in the negative ion mode. Second, a network pharmacology study, including target gene prediction and functional enrichment, was applied to screen the main quality markers of Diospyros lotus L and explore its potential mechanism for the treatment of diabetes. The results showed that a total of 159 compounds were identified from Diospyros lotus L, among which, 140 were reported for the first time. Furthermore, 40 active components, such as quercetin, luteolin, and kaempferol, were proposed as active components of Diospyros lotus L for the treatment of diabetes based on network pharmacology analysis. In addition, 92 relevant antidiabetic targets were mainly related to positive regulation of transcription from the RNA polymerase II promoter, extracellular space, and protein binding, suggesting the involvement of TNF, PI3K-Akt, and HIF-1 signaling pathways in the antidiabetic effect of Diospyros lotus L. Our results may provide a useful approach to identify potential active components and molecular mechanisms of Diospyros lotus L for the treatment of diabetes.
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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传统医学
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PubMed
高影响因子
International Journal of Analytical Chemistry
·
2021
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IF 1.885
Wei Cai,Kailin Li,Shihan Qin,Pei Xiong,Jie Peng,Silin Shi,Zaiqi Zhang
Potentilla freyniana Bornm. (P. freyniana), belonging to the family Rosaceae, has been used as a folk medicine in China. However, as we know, the constituents and the systematic elucidation of the mechanism were not fully investigated. Therefore, it is necessary to develop a rapid method using LC-MS and network pharmacology for the detection and identification of constituents and the systematic mechanism of P. freyniana. Firstly, the flavonoids were detected and identified based on ultra-high-performance liquid chromatography coupled with Quadrupole-Exactive Focus Orbitrap MS (UHPLC-Q-Exactive Orbitrap MS). After that, the potential targets of those constituents were obtained by database mining. Then, the core targets were predicted by protein-protein interaction network and network analysis. Finally, Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) pathway enrichment analysis were carried out via DAVID. This finding revealed that P. freyniana possessed 43 flavonoids (40 of them were first reported) with 23 core target genes, which are associated with PI3K-Akt, MAPK, TNF signaling pathway, and pathway in cancer. This study demonstrated the multicompound, multitarget, and multimechanism of P. freyniana, which are very beneficial to develop the further study and utilization of this plant including the material basis and quality control research.
研究领域:
植物化学
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药理学
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生物信息学
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PubMed
高影响因子
危险品化学品经营许可证（带存储）