Chinese Journal of Analytical Chemistry最新文献

{"title":"Alterations in plasma metabolome and correlation with urinary metabolome in cardiac surgery-associated acute kidney injury using ultra high-performance liquid chromatography-high resolution mass spectrometry","authors":"Yunpeng BAI ,&nbsp;Yichun JIANG ,&nbsp;Zhenmi LIU ,&nbsp;Ting LIU ,&nbsp;Silin LIANG ,&nbsp;Feng WANG ,&nbsp;Lang ZHANG ,&nbsp;Xin LIU ,&nbsp;Linhui HU ,&nbsp;Chunbo CHEN","doi":"10.1016/j.cjac.2025.100587","DOIUrl":"10.1016/j.cjac.2025.100587","url":null,"abstract":"<div><div>Cardiac surgery-associated acute kidney injury (CSA-AKI) may be related to an increase in mortality in patients in the intensive care unit; therefore, developing potential candidate molecule is particularly important for disease prediction and early diagnosis. This exploratory study investigated the alteration of the plasma metabolome profiles and possible links with the urinary metabolome in six patients with CSA-AKI at different time points, which could screen out the differential plasma metabolites for statistical analysis and altered metabolic pathways. After performing receiver operating characteristic analysis to obtain potential candidate molecules, the differential plasma metabolites with Level 1 were used for correlation analysis with the urinary metabolome. The plasma metabolome of the AKI group could be clearly separated from that of the uninjured kidney or recovered groups, but the plasma samples from recovered and uninjured groups could not be distinguished using statistical analysis. Compared with the uninjured kidney group, significant changes in the plasma metabolome were observed in such patients with CSA-AKI, especially regarding amino acid metabolism, spermidine and spermine biosynthesis, and sulfate/sulfite metabolism. The potential candidate molecules in the plasma metabolome, such as carnitines, exhibited a significantly positive correlation, while carnitines and organic acids in the plasma were involved in the correlation with the urinary metabolome. Plasma metabolic disorders were observed when CSA-AKI occurred, and the systemic status of recovered patients returned to normal after treatment. This exploratory investigation suggests potential candidate molecules in plasma and possible links to the urinary metabolome in CSA-AKI.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100587"},"PeriodicalIF":1.3,"publicationDate":"2025-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of recombinant anti-human CD antibodies for diabetes and cancer monitoring using flow cytometry","authors":"Ziyi YANG ,&nbsp;Xinxin XU ,&nbsp;Hua KUANG ,&nbsp;Chuanlai XU","doi":"10.1016/j.cjac.2025.100558","DOIUrl":"10.1016/j.cjac.2025.100558","url":null,"abstract":"<div><div>TBNK cells, namely T, B, Natural Killer (NK) cells, are three major types of lymphocytes in the immune system. Comprehensive analysis of cluster of differentiation (CD) antigens on TBNK cell surface, such as CD3, CD4, CD8, CD16, CD19, CD56, and CD45, contributes to precise immune cell profiling and disease progression tracking. In this study, we prepared recombinant antibodies specifically target CDs markers using the ExpiCHO-Double Plasmid system, which ensured high-yield expression and reproducibility. The antibodies were efficiently conjugated with various fluorescent dyes, including FITC, PE-Cy7, APC<img>Cy7, APC, PE, and PerCP-Cy5.5, to achieve multiplexed flow cytometry analysis of TBNK cell populations. Testing of clinical samples demonstrated that the developed antibody conjugates could effectively distinguish the difference of TBNK cell populations between healthy individuals and patients, analysis of 291 adults showed type 2 diabetes had elevated CD4⁺/CD8⁺ ratios (1.9x) versus reduced ratios in cancer (0.75x), with principal component analysis (PCA) distinguishing groups (PC1 = 47.9 %) indicating their potential for disease monitoring and therapeutic evaluation. Our results underscore the utility of novel immunodiagnostic tools for early detection and personalized management of diabetes and cancer.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 8","pages":"Article 100558"},"PeriodicalIF":1.2,"publicationDate":"2025-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144535689","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Extraction of uranium (VI) with neutral organic phosphorus extractants: A calorimetric and spectroscopic comparison of di(1-methylheptyl) methylphosphonate vs. tri-n-butylphosphate","authors":"Yuyu Liang ,&nbsp;Xiang Xie ,&nbsp;Qingye Zhou ,&nbsp;Shufeng Zhao ,&nbsp;Xiang Li ,&nbsp;Chenchen Yuan ,&nbsp;Zeng Huang ,&nbsp;Jun Tu ,&nbsp;Xingliang Li","doi":"10.1016/j.cjac.2025.100583","DOIUrl":"10.1016/j.cjac.2025.100583","url":null,"abstract":"<div><div>Both tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate demonstrate exceptional extraction capabilities for ²³³U from irradiated thorium. While extensive literature exists regarding tri-<em>n</em>‑butyl phosphate-based extraction systems, comparative studies on di(1-methylheptyl) methylphosphonate remain notably limited. This systematic investigation provides a parallel comparison of the chemical behaviors between these two extractants under identical experimental conditions. Results reveal that the di(1-methylheptyl) methylphosphonate system exhibits enhanced hydrophobicity relative to tri-<em>n</em>‑butyl phosphate, correlating with reduced water co-extraction during the uranium recovery process. Raman spectroscopic analysis demonstrated about ∼30 cm^–1 shifts in the uranyl symmetric stretching vibration for di(1-methylheptyl) methylphosphonate complexes compared to ∼15 cm^–1 shifts of tri-<em>n</em>‑butyl phosphate complexes. This significant spectral displacement indicates stronger coordination bonding between phosphoryl oxygen of di(1-methylheptyl) methylphosphonate and uranyl ions. Isothermal titration calorimetry measurements quantified the extraction thermodynamics, yielding enthalpy changes of -12.83 kJ/mol and -11.32 kJ/mol for tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate systems, respectively. Di(1-methylheptyl) methylphosphonate exhibits marginally less exothermic enthalpy despite its superior extraction efficiency. The counterintuitive observation suggests distinct thermodynamic compensation mechanisms. This likely involves more favorable entropy contributions in the di(1-methylheptyl) methylphosphonate extraction system and greater energy consumption during desolvation. This comprehensive comparison clarifies fundamental differences in extraction mechanisms between tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate extractants, providing critical thermodynamic parameters for optimizing ²³³U recovery processes.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100583"},"PeriodicalIF":1.3,"publicationDate":"2025-06-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144904178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Catechol-modified wet-adhesive hydrogel for the repair of the gastric epithelium","authors":"Ning Yang ,&nbsp;Yi Liu ,&nbsp;Jiannan Li ,&nbsp;Meiqi Wang ,&nbsp;Dongxin Wang ,&nbsp;Zhuo Liu","doi":"10.1016/j.cjac.2025.100581","DOIUrl":"10.1016/j.cjac.2025.100581","url":null,"abstract":"<div><div>Gastric perforation, which may be caused by damage to the gastric epithelium, can lead to the entry of food or gastric acid in the stomach into the peritoneum, causing diseases such as peritonitis and sepsis. In severe cases, it can lead to septic shock and pose a threat to life. Developing and preparing a material that has adhesiveness in a wet environment such as the surface of the stomach is a challenge. Therefore, we have successfully prepared a hydrogel membrane with wet adhesiveness. This hydrogel membrane is composed of glutaraldehyde-crosslinked polyvinyl alcohol (PVA) hydrogel modified by 3,4-dihydroxyphenylalanine (DOPA). The side chains of PVA molecules modified with DOPA achieve wet adhesion through the formation of hydrogen bonds between the catechol groups and the surface of the tissue substrate. It is used for suture-free repair of damaged gastric epithelium. According to the results of mechanical experiments, its wet adhesion lap shear strength to gastric tissue reaches 34.8 kPa, and the peeling strength reaches 24.5 kPa. The results of <em>in vitro</em> cell experiments show that the hydrogel has good biocompatibility. The hydrogel prepared by this simple method demonstrates adaptability to the gastric environment, making it promising for applications in gastric wound repair.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100581"},"PeriodicalIF":1.3,"publicationDate":"2025-06-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144890588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Active compounds and target genes investigation for Tongxie-Yaofang treatment in diarrhea predominant-irritable bowel syndrome based on network pharmacology study","authors":"Xiaowen Yu ,&nbsp;Shupei Ma ,&nbsp;Dongliang Zhang ,&nbsp;Xuan Chen ,&nbsp;Jun Ouyang ,&nbsp;Biao Xi ,&nbsp;Dongyu Xie ,&nbsp;Yaxiang Shi","doi":"10.1016/j.cjac.2025.100579","DOIUrl":"10.1016/j.cjac.2025.100579","url":null,"abstract":"<div><h3>Purpose</h3><div>We attempted to determine the effectiveness and dissected the detailed molecular mechanism of Tongxie-Yaofang (TXYF) in the treatment of diarrhea predominant-IBS (IBS-D) based on network pharmacology.</div></div><div><h3>Materials and methods</h3><div>Between February 2019 and December 2020, 28 IBS-D patients were included and given TXYF formula granules twice a day for consecutive 8 weeks. The efficacy of TXYF was evaluated based on IBS Symptom Severity Score (IBS-SSS), IBS-quality of life scale (QOL) and TCM syndrome score before and after 4 week, 8 week treatment. The active components of TXYF were screened and filtered by Traditional Chinese Medicine Systems Pharmacology and Traditional Chinese Medicine Integrated Database, followed by the target protein prediction. The IBD-related genes were retrieved by Comparative Toxicogenomics Database. The key proteins were intersected, and molecule docking were conducted. Finally, a quantitative real-time polymerase chain reaction (qRT-PCR) analysis based on samples obtained from IBS rat model was performed to validate the results in current bioinformatics analysis.</div></div><div><h3>Results</h3><div>TXYF treatment significantly improved IBS-SSS, IBS-QOL and TCM syndrome score after 4 and 8 week post treatment. A total of 23 active compounds, 3 herbs, and 29 key target proteins were associated with TXYF. Key target proteins, such as AKT1, PPARG, and NFKB1, were mainly enriched in pathways such as non-alcoholic fatty liver disease. The main active ingredients in TXYF for IBS-D were catechin, <em>β</em>-sitosterol, <em>β</em>-eudesmol, and Pyrethrin Ii by binding to CNR1, ESR1, TGFB1, and TNFSF11. Finally, the qRT-PCR analysis showed that hub gene TGFB2 in pharmacological network were significantly promoted in TXYF treatment group when compared with IBS blank control group, which further validated the results of our bioinformatics analysis.</div></div><div><h3>Conclusions</h3><div>TXYF may be effective in IBS-D treatment by targeting CNR1, ESR1, TGFB1, and TNFSF11. Our data may provide new clues for understanding the molecular mechanism of TXYF in IBS-D treatment.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100579"},"PeriodicalIF":1.3,"publicationDate":"2025-06-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144749194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Gynostemma pentaphyllum promotes strained skeletal muscle protein regeneration by adjustment of liver and spleen function via PXR-IL-6-SERCA1a","authors":"Yi Zou ,&nbsp;Xingqin Wei ,&nbsp;Guangying Wu ,&nbsp;Dongmei Li ,&nbsp;Houran Cao ,&nbsp;Weitao Chen ,&nbsp;Lingfeng Zeng ,&nbsp;Zhao Chen","doi":"10.1016/j.cjac.2025.100578","DOIUrl":"10.1016/j.cjac.2025.100578","url":null,"abstract":"<div><h3>Background</h3><div><em>Gynostemma pentaphyllum</em> (GYP) is a traditional Chinese medicine (TCM) used for strengthening and injure recovery, previous research has revealed that a 50% ethanol extract of GYP markedly influences strained skeletal muscle regeneration. Further research has clarified that GYP took such effect via recovery of liver and spleen, whose function and morphology also damaged when muscle is strained. However, the mechanism and biological basis of GYP’s regeneration effect still needs deeper investigation.</div></div><div><h3>Objective</h3><div>To elucidate the mechanism and biomarkers of GYP regulating the recovery of skeletal muscle proteins, as well as discovery of related targets involved in such process.</div></div><div><h3>Methods</h3><div>A rat blunt skeletal muscle strain model was established for pharmacodynamic evaluation, with administration of GYP extract or reference drug; the serum and tissue (liver, spleen) samples were collection for subsequent investigation of target expression and metabolomics; Serum metabolomics research was carried out to screen differential metabolites related to the skeletal muscle regeneration; Subsequently, the metabolomic results were combined with network pharmacology and results of target expression to clarify the signaling pathway; Then, guided by this, the differential metabolites related to the targets/pathways in organs such as the liver and spleen were determined by UPLC-MS; Eventually, biomarkers characterizing the promotion of protein regeneration in strained skeletal muscle by GYP were found.</div></div><div><h3>Results</h3><div>The serum metabolomic analysis successfully identified 20 differential metabolites associated with its efficacy, and further screened out metabolites like l-tryptophan, DL-glutamic acid, tyrosine, arachidonic acid as significant biomarkers that related to PXR-IL-6-SERCA1a pathway; As the regulatory mechanism of GYP indicated, those markers are recognized as key indicators of the process of strained muscle regeneration, as well as GYP’s therapeutic effect.</div></div><div><h3>Conclusion</h3><div>By restoring the function of those related organs via PXR-IL-6-SERCA1a pathway, internal TCM like GYP has good skeletal muscle recovery effect, which based on its regulation of some metabolites that plays important role in protein synthesis and inflammatory reaction in liver and spleen.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100578"},"PeriodicalIF":1.3,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738246","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Aptamer/antibody-based and amplified lateral flow assays for detection of vascular endothelial growth factor 165","authors":"Chenjing Fan ,&nbsp;Yushi Liu ,&nbsp;Xiushuang Fan ,&nbsp;Hua Zhang ,&nbsp;Chao Peng ,&nbsp;Jiangtao Ren ,&nbsp;Erkang Wang","doi":"10.1016/j.cjac.2025.100580","DOIUrl":"10.1016/j.cjac.2025.100580","url":null,"abstract":"<div><div>Early screening of serious diseases can significantly improve survival rates and quality of life, and potable and user-friendly analytical devices are conducive to point-of-care testing (POCT). In this study, a lateral flow assay (LFA) for colorimetric analysis of a significant early cancer biomarker, vascular endothelial growth factor 165 (VEGF165), was designed based on an “antibody-VEGF165-aptamer” sandwiched structure. The aptamer for VEGF165 was introduced to overcome the bottleneck, namely, high cost and limited types of antibodies of VEGF165. In addition, the sensitivity was substantially increased by cascading an in-situ gold growth-mediated signal amplification strategy (ISGGS), and as low as 0.12 ng/mL VEGF165 can be detected. Based on the universal LFA-ISGGS principle, test strips were fabricated for detecting another biomarker (cardiac troponin I, cTnI). Moreover, one test strip with dual detection channels was successfully obtained for simultaneous detection of VEGF165 and cTnI, further confirming the universality of our LFA-ISGGS platform, and indicating that the platform holds great potential for bed diagnosis of serious diseases in the future.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100580"},"PeriodicalIF":1.3,"publicationDate":"2025-06-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144890587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Determination of eight volatile benzene series in e-cigarette liquids and aerosols by thin-film solid-phase microextraction/GC-QTOF-MS","authors":"Chunqiong Wang ,&nbsp;Wei Li ,&nbsp;Yanbo Zeng ,&nbsp;Xiaowei Zhang ,&nbsp;Haowei Sun ,&nbsp;Ke Zhang ,&nbsp;Ganpeng Li","doi":"10.1016/j.cjac.2025.100575","DOIUrl":"10.1016/j.cjac.2025.100575","url":null,"abstract":"<div><div>Monitoring harmful volatile organic compounds in e-cigarettes is crucial for product quality assessment and consumer safety. In this study, a polydimethylsiloxane (PDMS) film embedded with 2,4,6-tris(4-carboxyphenyl)-1,3,5-triazine (H₃TATB)-modified MIL-101(Cr) particles was prepared via dip-coating to serve as a solid-phase microextraction (SPME) medium. Gas chromatography-quadrupole time-of-flight mass spectrometry (GC-QTOF-MS) method was developed and optimized using this custom SPME film for the determination of eight volatile benzene-series compounds in commercial e-cigarette products. The analytical method was applied to 43 electronic cigarette (e-cigarette) samples, enabling the quantification of target compounds in both e-liquids and aerosols. The method exhibited excellent linearity and high mass accuracy, with limits of quantifications (LOQs) ranging from 0.0016 to 0.0090 µg·g⁻¹ and 0.0037 to 0.0208 µg·20 puffs⁻¹ in e-liquids and aerosols, respectively. Limits of detections (LODs) ranged from 0.0054 to 0.0298 µg·g⁻¹ and 0.0122 to 0.0686 µg·20 puffs⁻¹ for e-liquids and aerosols, respectively. Recoveries of the target compounds in e-liquids ranged from 70.12% to 107.06%. Among the eight compounds, benzene, toluene, and ethylbenzene were consistently detected in both sample types. Benzene concentrations ranged from 0.837 to 5.107 µg·g⁻¹ in e-liquids and 0.201 to 4.179 µg·20 puffs⁻¹ in aerosols; ethylbenzene was present at 0 to 0.798 µg·g⁻¹ and 0 to 1.608 µg·20 puffs⁻¹, respectively. The study presents a rapid, sensitive, and reliable method for analysing volatile benzene-series compounds in complex e-cigarette matrices. The developed approach supports regulatory oversight and contributes to establishing effective quality control systems for e-cigarette products.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 8","pages":"Article 100575"},"PeriodicalIF":1.2,"publicationDate":"2025-06-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144704007","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and characterization of Pd-doped carbon dots (CDP) for the photocatalytic degradation of imidacloprid","authors":"Rani ,&nbsp;Faiz Ali ,&nbsp;Mian Muhammad ,&nbsp;Zeid A. AlOthman","doi":"10.1016/j.cjac.2025.100576","DOIUrl":"10.1016/j.cjac.2025.100576","url":null,"abstract":"<div><div>An effective photo catalytic method utilizing fluorescent carbon dots (CDP) has been developed for the degradation of imidacloprid. The CDP were synthesized hydrothermally using fructose, palladium, and ethylene diamine and they were characterized via Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM), spectrofluorometer, ultraviolet-visible spectroscopy (UV-Vis), and energy dispersive X-ray spectroscopy (EDX) techniques. The key determinants were optimized and using the optimized conditions. 97 % photocatalytic degradation of imidacloprid was achieved in 40 min at 365 nm using 5.0 mg L^–¹ of imidacloprid at pH 10. The catalyst loading, and the response time were effectively correlated, emphasizing the critical role in improving the degrading efficiency. The pseudo- first order and second order kinetic models were applied to the data showing the best fitting with pseudo-first order kinetic model. The CDP can be used for repeated cycles maintaining its degradation efficiency within reasonable limits. The results highlighted the promising potential of using carbon dots as effective photocatalytic materials which are cost effective and environmentally safe for water remediation.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100576"},"PeriodicalIF":1.3,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738247","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the mechanism of Epimedium in diabetes mellitus treatment based on network pharmacology and molecular dynamics simulation","authors":"Ma Guo-Hua ,&nbsp;Xing Xin-Xin ,&nbsp;Gao Yuan ,&nbsp;He Yu-Fang ,&nbsp;Zhao Yu-Wei ,&nbsp;Zhao Jian-Hui ,&nbsp;Ma Yang ,&nbsp;Yin Yu-He ,&nbsp;Nan Min-Lun","doi":"10.1016/j.cjac.2025.100574","DOIUrl":"10.1016/j.cjac.2025.100574","url":null,"abstract":"<div><div><em>Epimedium</em> (EP) and its extracts have been shown to be beneficial in the treatment of diabetes mellitus (DM). However, the specific active components and mechanisms whereby they exert their effects remain unclear. This paper will explore the mechanism of action of EP for the treatment of DM using network pharmacology. Traditional Chinese medicines systems pharmacology (TCMSP), Uniprot and Swiss Target Prediction databases were used to obtain compound and target information for EP. GeneCards database was used to obtain DM-related targets, and Cytoscape 3.8.0, Metascape and We Seng Xin platforms were used for network analyses. A total of 23 active components of EP, which are associated with its therapeutic effect in the treatment of DM, were identified by integrating the results of database search. Of the 234 targets, 44 key genes were found to be significantly enriched in the AKT1, TNF, PPARG and STAT3. Icaritin and icariin were identified as the core components affecting DM pathways. Molecular docking and kinetic simulation studies confirmed that the core components effectively bind to the above targets, meanwhile, <em>in vivo</em> and <em>in vitro</em> experiments showed that the core components have better hypoglycemic activity compared with the positive control. In conclusion, the therapeutic effects of EP in DM may be attributed to its bioactive components, such as icaritin and icariin. These components also modulate DM-related pathways, including glutathione metabolism, tryptophan peroxisome-related pathways, and peroxisomes. The present study provides valuable scientific insights into the pharmacological mechanisms underlying the action of EP in DM and highlights the potential of EP as a promising drug.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100574"},"PeriodicalIF":1.2,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144703653","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}