Chinese Journal of Analytical Chemistry最新文献

{"title":"A selective methane gas sensor based on SnO2 utilizing a reactive and porous substrate","authors":"Youzhi LUO ,&nbsp;Jiaqi GAO ,&nbsp;Huihua FU ,&nbsp;Shuhuan LIU ,&nbsp;Zhongqiu HUA","doi":"10.1016/j.cjac.2025.100526","DOIUrl":"10.1016/j.cjac.2025.100526","url":null,"abstract":"<div><div>Generally, selective response of metal oxide semiconductor (MOS) gas sensors is dominated by the process of gas diffusion and reactions through the sensing layers. The microstructure and surface chemical activities of MOS thin films simultaneously control the diffusion reaction process and modulate electronic conduction. Thus, it is very difficult to modulate the diffusion-reaction process just using sensing layers because gas diffusion and reaction process cannot be separated from the sensing films. Hence, the selective response of the MOS gas sensors is barely satisfactory. In this study, a novel sensor structure was proposed. The MOS sensing layer was printed on a porous ceramic substrate with a well-defined pore structure. The gas molecules must diffuse through the porous substrate before contacting the sensing layer of the MOS. Therefore, the diffusion reaction and sensing processes are separated from each other and are performed by two different parts of the sensor devices. Consequently, the selective response was significantly improved by the proposed sensor structure.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 5","pages":"Article 100526"},"PeriodicalIF":1.2,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815831","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":"Proteomic fingerprints of protein corona formation on MIL-88B(Fe)-NH2 metal-organic framework","authors":"Junyu YE ,&nbsp;Yanhong LI ,&nbsp;Yang GAO ,&nbsp;Yiling LI ,&nbsp;Bin XIA ,&nbsp;Zhengguo CUI ,&nbsp;Keming QU","doi":"10.1016/j.cjac.2025.100524","DOIUrl":"10.1016/j.cjac.2025.100524","url":null,"abstract":"<div><div>When nanoparticles are introduced to living systems, they are quickly covered by a biomolecular coating referred to as the protein corona. This coating endows nanoparticles with new biorecognition properties, subsequently impacting their behavior and downstream toxic effects. Herein, the proteomic fingerprints of protein corona formation on Fe-based metal-organic framework (Fe-MOF) MIL-88B(Fe)-NH₂ exposed to plasma of the marine flatfish turbot (<em>Scophthalmus maximus</em>) were investigated. The formation of fish plasma protein corona on haemocompatibility of Fe-MOF were investigated. Transmission electron microscopy and flow cytometry confirmed the formation of plasma protein coronas on the Fe-MOF particles. The immunoglobulins and complement proteins were enriched on the Fe-MOF surface, whereas the lipoproteins and coagulation proteins were significantly depleted compared with their original concentrations in the crude plasma. Hemolysis induced by Fe-MOF was influenced by fish plasma protein corona formation. This study offers insights into the interaction between a representative Fe-MOF and fish plasma proteins, enabling a better understanding of the biological behavior of Fe-MOFs in the blood system.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 5","pages":"Article 100524"},"PeriodicalIF":1.2,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815832","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":"Sensitive determination of amphetamine-type stimulants in human hair by electro-enhanced solid-phase microextraction coupled to gas chromatography with nitrogen-phosphorus detector","authors":"Aiying SONG ,&nbsp;Rong LIU ,&nbsp;Xinghe HE ,&nbsp;Linlin WEI","doi":"10.1016/j.cjac.2025.100525","DOIUrl":"10.1016/j.cjac.2025.100525","url":null,"abstract":"<div><div>In the field of forensic sciences, the analysis of amphetamine-type stimulants in hair samples has become a fundamental tool for assessing long-term substance use. The persistent nature of amphetamine-type stimulants in hair provides a unique chronological record of drug intake, offering valuable insights for legal and clinical applications. Developing a simple, sensitive, and reliable method for the determination of these drugs in hair samples remains an important issue in forensic analysis. In this study, polydimethylsiloxane modified stainless steel fiber was firstly fabricated. By taking advantage of the affinity of the polydimethylsiloxane coating toward amphetamine-type stimulants and the excellent conductivity of stainless steel wire, an electro-enhanced solid-phase microextraction coupled with gas chromatography equipped with a nitrogen-phosphorus detector method was established to sensitively determine four common amphetamine-type stimulants in hair samples. The experimental results showed a linear range from 0.1 to 50 µg L⁻¹. The limits of detection and qualification respectively varied from 0.012 to 0.039 and 0.05 to 0.13 µg L⁻¹ (<em>S</em>/<em>N</em> = 3), and it exhibited good reproducibility (&lt; 6.2%). Recoveries ranging from 79% to 106%, with a relative standard deviation of &lt; 6.7%, were obtained for all analytes. Fiber-to-fiber reproducibility (RSD), obtained using three fibers, was &lt; 8.8%. The developed strategy combined the affinity of the polydimethylsiloxane coating towards amphetamine-type stimulants with the electrical conductivity of the stainless steel wire, effectively improving the enrichment ability and detection sensitivity, and achieving simultaneous selective enrichment and detection of several analytes. This is a simple, efficient, and reliable method for the analysis of amphetamine-type stimulants from complex matrices.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 4","pages":"Article 100525"},"PeriodicalIF":1.2,"publicationDate":"2025-03-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143637569","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Development of a new eco-friendly HPLC method and assessing the pharmacokinetics of pelitinib, a potent epidermal growth factor receptor inhibitor used for the treatment of non-small cell lung cancer associated with EML4-ALK mutant gene","authors":"Rashed N. HERQASH ,&nbsp;Ali S. ALQAHTANI ,&nbsp;Ibrahim A. DARWISH","doi":"10.1016/j.cjac.2025.100513","DOIUrl":"10.1016/j.cjac.2025.100513","url":null,"abstract":"<div><div>Pelitinib (PEL) is a potent drug which demonstrated clinical success in the treatment of non-small cell lung cancers harboring the mutant fusion gene EML4-ALK (echinoderm microtubule-associated protein-like 4-anaplastic lymphoma kinase. The objective of this study was the development of eco-friendly HPLC method to refine the therapeutic findings, support pharmacokinetic assessments, and aid in the potential therapeutic monitoring of PEL. The chromatographic separation of PEL and levofloxacin as an internal standard (IS) was accomplished on a Shim-pack VP-ODS C18 HPLC column using a gradient elution with a mobile phase consisting of formic acid (0.1 %, v/v) in an acetonitrile–methanol mixture (80:20 %, v/v). The flow rate was 1.0 mL min^–1 and the detection wavelength was 260 nm. Validation of the method was conducted in accordance with ICH guidelines for bioanalytical method validation, and all parameters’ values were acceptable. The novelty of the proposed eco-friendly HPLC-UV method in terms of its adherence of the method's procedures to the requirements of the green analytical chemistry approaches was confirmed by three comprehensive metric tools. The method was successfully applied in studying the pharmacokinetics of PEL in rats. The findings revealed that PEL was absorbed and reached maximum plasma concentration of 182.08 ng mL⁻¹ after 4 h and had an eliminated rate constant of 0.072 h⁻¹. The volume of distribution was 0.064 L/kg. The clearance was found at 0.005 L/h/kg. The results presented this method as a valuable tool for realizing targeted therapeutic benefits and ensuring safety of PEL treatment.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 3","pages":"Article 100513"},"PeriodicalIF":1.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143534910","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Apoptosis-inducing effects of aqueous extract of Eleutherococcus senticosus on non-small cell lung cancer cell proliferation","authors":"Xuekun KOU ,&nbsp;Yufeng LI ,&nbsp;Lei WANG ,&nbsp;Xin SONG ,&nbsp;Dan LI ,&nbsp;Zhuo WANG ,&nbsp;Yuanyuan ZHAO ,&nbsp;Xiaohui ZHANG ,&nbsp;Jingwu LI ,&nbsp;Zhaobin XING","doi":"10.1016/j.cjac.2025.100510","DOIUrl":"10.1016/j.cjac.2025.100510","url":null,"abstract":"<div><div>Non-small cell lung cancer is a malignant tumor with high morbidity and mortality worldwide. <em>Eleutherococcus senticosus</em> can induce apoptosis in non-small cell lung cancer cells, but the mechanism remains unclear. This study aimed to elucidate the role of <em>Eleutherococcus senticosus</em> in inducing apoptosis in non-small cell lung cancer cells and analyze its potential active constituents, targets, and molecular mechanisms. The results of network pharmacology analysis showed that <em>Eleutherococcus senticosus</em> contained 49 active ingredients that induced apoptosis in non-small cell lung cancer cells, and these components could act on 66 apoptosis-related targets. Compared to the control group, <em>Eleutherococcus senticosus</em> significantly increased apoptosis in A549 cells with increasing concentration (<em>p &lt;</em> 0.05). The results of transcriptome and metabolomic analyses showed that <em>Eleutherococcus senticosus</em> significantly changed 5836 genes and 418 metabolites in A549 cells (<em>p &lt;</em> 0.05), with the most significant changes in 18 genes and 34 metabolites related to apoptosis. qRT-PCR and Western blot results showed that, after <em>Eleutherococcus senticosus</em> treatment, the mRNA and protein expression of <em>EGFR, MAPK3</em>, and <em>ICAM1</em> significantly increased, while <em>CTSK</em> decreased (<em>p &lt;</em> 0.01 or <em>p &lt;</em> 0.001). Correlation analysis and molecular docking results indicated that calycanthoside and oleanolic acid can directly modify the expression levels of the transcription factors <em>POU2F3, FOXS1</em>, and <em>TGIF2LY</em> or indirectly influence the binding affinity of these transcription factors to the promoters of key target genes, ultimately leading to the activation of <em>EGFR, MAPK3, ICAM1</em>, and <em>CTSK</em>, which triggers apoptosis in non-small cell lung cancer cells.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 3","pages":"Article 100510"},"PeriodicalIF":1.2,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143512265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Design and performance study of fluorescent molecular probes based on Europium coordination compounds","authors":"Xue WEI,&nbsp;Chunhui MA,&nbsp;Zhaojian ZHENG,&nbsp;Zhen WANG,&nbsp;Yuning LI,&nbsp;Weiwei SONG,&nbsp;Hua'e WANG,&nbsp;Xiao YIN,&nbsp;Yi LIU,&nbsp;Weizhao QI","doi":"10.1016/j.cjac.2025.100518","DOIUrl":"10.1016/j.cjac.2025.100518","url":null,"abstract":"<div><div>In this study, the target compound CDA is synthesized through a nucleophilic addition reaction using 2-amino-6-chlorobenzothiazole and ethylenediaminetetraacetic dianhydride as raw materials. The structure of CDA is characterized via ultraviolet-visible (UV–Vis) and fluorescence spectroscopy, revealing its specificity for rare earth metal ions. Concentration titration, interference experiments, and reversibility tests further investigate the relationship between Eu³⁺ and the fluorescence intensity of the probe. The [CDA+Eu³⁺] system is then applied for antibiotic detection. Results demonstrate that CDA exhibits excellent specificity for Eu³⁺ in a DMSO/HEPES buffer (pH 7), with a rapid fluorescence enhancement at 617 nm upon Eu³⁺ addition. This response remains unaffected by other rare earth ions, achieving a detection limit of 0.054 µM. When detecting antibiotics, the [CDA+Eu³⁺] system specifically recognizes oxytetracycline, chlortetracycline hydrochloride, and tetracycline, inducing fluorescence quenching at 617 nm. Linear relationships are observed for these antibiotics with detection limits of 0.60, 0.48, and 0.59 µM, respectively. Interference experiments confirm that the recognition of tetracycline antibiotics is not compromised by coexisting antibiotics of other classes.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 6","pages":"Article 100518"},"PeriodicalIF":1.2,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143943582","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":"Supplemented Xijiao Dihuang Decoction alleviates sepsis via modulation of gut microbiota and metabolites: A multi-omics approach","authors":"Aiping ZHANG ,&nbsp;Xingxing HU ,&nbsp;Zhenfeng LU ,&nbsp;Haibin NI ,&nbsp;Jingsheng GUO ,&nbsp;Xiaofei HUANG ,&nbsp;Yehong HU ,&nbsp;Xiaoming YAO ,&nbsp;Zhijun FANG ,&nbsp;Lei WANG","doi":"10.1016/j.cjac.2025.100517","DOIUrl":"10.1016/j.cjac.2025.100517","url":null,"abstract":"<div><div>Sepsis, a critical condition that is a leading cause of mortality in critically ill patients, involves complex interactions between host genetics and environmental factors. The present study evaluated the therapeutic efficacy and mechanisms of action of supplemented Xijiao Dihuang Decoction (SXJDHD), a traditional Chinese medicine (TCM) formula augmented with additional herbs, in treating sepsis. Using a multi-omics approach encompassing metabolomics and gut microbiota analysis, we investigated the effects of SXJDHD on sepsis outcomes. Network pharmacology analysis revealed that SXJDHD targets multiple pathways implicated in sepsis pathogenesis. In a mouse model of sepsis, SXJDHD significantly improved survival rates, alleviated multi-organ damage, and reduced the levels of inflammatory cytokines TNF-<em>α</em> and IL-6. Additionally, SXJDHD modulated the gut microbiota, increasing the abundance of beneficial bacteria such as Bacteroides and Prevotellaceae UCG-001, while decreasing that of Helicobacter. Metabolomics analysis showed significant changes in microbial metabolites following SXJDHD intervention, suggesting modulation of the metabolome. Collectively, these findings indicate that SXJDHD exhibits therapeutic potential in sepsis through the regulation of gut microbiota and metabolites, providing insights into the mechanisms underlying its efficacy.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 5","pages":"Article 100517"},"PeriodicalIF":1.2,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783854","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring the potential mechanism of Andrographis paniculata compounds against neurodegenerative diseases based on network pharmacology and molecular docking","authors":"Meili YANG ,&nbsp;Hongbo WEI ,&nbsp;Yuanzhen XU ,&nbsp;Jinming GAO","doi":"10.1016/j.cjac.2025.100514","DOIUrl":"10.1016/j.cjac.2025.100514","url":null,"abstract":"<div><div>Although research indicates that <em>Andrographis paniculata</em> (<em>A. paniculata</em>) and its bioactive components contribute to the therapeutic potential for Alzheimer's disease (AD) and Parkinson's disease (PD)<em>,</em> the underlying mechanism still needs to be better understood. In the present study, the multi-target mechanism of <em>A. paniculata</em> was investigated using integrative research methods, and its potential application in preventing AD and PD was further explored. By using network pharmacology methods such as compound-target and target-pathway networks, 29 active compounds were screened from <em>A. paniculata</em>, resulting in 116 targets for AD and 90 targets for PD. Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway enrichment analyses uncovered the pathways linking active compounds to AD and PD. These constituents involve multiple pathways, such as the response to drugs, response to lipopolysaccharide (LPS), negative regulation of apoptotic process, synaptic transmission. Molecular docking analysis revealed that wogonin had greater affinity for AD-related targets CYP1B1, PTGS2, and PTGS1, while oroxylin A had great affinity for PD-related targets ADORA1 and NOS2. Additionally, density functional theory calculations conducted on the bioactive compounds indicated that receptor-ligand interactions were the primary contributors to the electronic structure (HOMO, LUMO, HOMO-LUMO energy gap). Furthermore, <em>in vitro</em> experimental data indicated that andropanolide and deoxyelephantopin showed good anti-neuroinflammatory activity and neurotrophic activity, respectively. Overall, <em>A. paniculata</em> combats neurodegenerative diseases through its multi-component, multi-target, and multi-pathway actions. The repurposing and repositioning of traditional herbal medicines hold considerable significance. This study demonstrates that, in addition to its use in treating influenza, the traditional medicine <em>A. paniculata</em> also possesses significant potential in the treatment of neurodegenerative diseases.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 5","pages":"Article 100514"},"PeriodicalIF":1.2,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"An exploratory study on the molecular targets and interaction mechanisms of citri reticulatae pericarpium (CRP) in the treatment of chronic obstructive pulmonary disease (COPD) based on GEO combined with bioinformatics","authors":"Jia JIA ,&nbsp;Enzhong CUI ,&nbsp;Si LI ,&nbsp;Bingjie LI ,&nbsp;Qin GE","doi":"10.1016/j.cjac.2025.100516","DOIUrl":"10.1016/j.cjac.2025.100516","url":null,"abstract":"<div><div>Chronic obstructive pulmonary disease (COPD) is one of the diseases with the highest morbidity and mortality rates in the world, and has received great attention from the global healthcare system. Citri reticulatae pericarpium (CRP) has the effect of relieving cough and reducing phlegm, and has significant therapeutic effects in the treatment of COPD, but its mechanism of action is still unclear. In this paper, the chemical composition of CRP was identified by ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and the mechanism of action of CRP in the treatment of COPD was elucidated by data mining combined with bioinformatics. Studies have shown that CRP mainly regulates signaling pathways such as hypoxia-inducible factor 1 (HIF-1), nuclear factor-<em>κ</em>B (NF-<em>κ</em>B), and vascular endothelial growth factor (VEGF), and treats COPD through anti-inflammation and regulating oxygen homeostasis in the body. Its main targets include ESR1, CCNB1, ABCB1, etc. These targets have the potential to diagnose COPD (AUC &gt; 0.8). Molecular docking showed that the components of CRP bind tightly to the target (binding energy &lt; –6.7 kcal/mol). This study systematically reveals the molecular mechanism of CRP in treating COPD through the synergistic action of \"multi-component-multi-target-multi-pathway\", providing a theoretical basis for the modernization of traditional Chinese medicine and laying a scientific foundation for the clinical treatment of COPD and the development of new drugs.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 5","pages":"Article 100516"},"PeriodicalIF":1.2,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738829","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Analyze the application and mechanism of Traditional Chinese Medicine in chronic urticaria based on data mining and network pharmacology","authors":"Yalan LUO ,&nbsp;Yu ZHOU ,&nbsp;Mingming SONG ,&nbsp;Zihao ZOU ,&nbsp;Wei CAO ,&nbsp;Xin LI ,&nbsp;Renhong WAN ,&nbsp;Xuechun DAI ,&nbsp;Ying LI","doi":"10.1016/j.cjac.2025.100512","DOIUrl":"10.1016/j.cjac.2025.100512","url":null,"abstract":"&lt;div&gt;&lt;h3&gt;Objective&lt;/h3&gt;&lt;div&gt;Chronic urticaria (CU) is a prevalent skin condition. Increasing evidence supports the efficacy of traditional Chinese medicine (TCM) in its management. This study aims to identify the primary bioactive constituents and elucidate the potential molecular mechanisms of key TCM drug combinations for CU treatment, utilizing data mining, network pharmacology, and molecular docking.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Methods&lt;/h3&gt;&lt;div&gt;Relevant TCM prescriptions for the treatment of CU were collected from multiple databases, including CNKI, VIP, Wan Fang Database, Embase, PubMed, and Web of Science. Data were analyzed using IBM SPSS Modeler 18.0 to identify core drug pairs with the highest confidence levels. Active ingredients and target predictions for these core drug pairs were determined using the TCMSP, BATMAN-TCM, HERB, and SwissTargetPrediction databases. CU-related targets were obtained from OMIM, DisGeNET, GeneCards, PharmGKB, CTD, and Drugbank, and intersected with disease targets retrieved from the GEO database. These targets were further intersected with drug targets and analyzed within the STRING database for protein-protein interaction (PPI) network analysis, visualized using Cytoscape 3.7.2, and core nodes in the network were identified using the CytoHubba plugin. The intersecting targets of drugs and diseases were subjected to GO and KEGG pathway analysis via the DAVID database and analyzed for their distribution across 84 target organs in the human body using the BioGps database. Molecular docking validation was performed using AutoDockTools 1.5.6, AutoDock Vina, and PyMOL software.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Results&lt;/h3&gt;&lt;div&gt;Through the application of inclusion and exclusion criteria, 374 articles were identified, encompassing 344 prescriptions and 198 herbs. The core drug combination “Saposhnikoviae Radix-Schizonepetae Herba-Cicadae Periostracum” (FF-JJ-CT) with the highest confidence level was selected. A total of 45 active ingredients and 780 unique potential targets were screened, and 50 disease targets were obtained. Twelve targets at the intersection of herbs and diseases were identified. A PPI network was constructed, and seven core targets (VCAM1, STAT3, SELE, MYC, ITGB2, ICAM1, HIF1A) were screened based on degree centrality (DC) ≥ 10. GO and KEGG analyses revealed that the intersecting targets were primarily enriched in pathways related to cell adhesion molecules, the TNF signaling pathway, and the AGE-RAGE signaling pathway. The target organs were predominantly expressed in whole blood and the immune system (CD33+_Myeloid, CD14+_Monocytes, BDCA4+_DentriticCells, CD56+_NKCells). Molecular docking results indicated that the active ingredients Quercetin, Decursin, Andrographolide, and its derivative 14_deoxy_11_oxa_andrographolide from the “FF-JJ-CT” combination exhibited favorable binding activities with the core targets ICAM1, ITGB2, STAT3, SELE, and VCAM1.&lt;/div&gt;&lt;/div&gt;&lt;div&gt;&lt;h3&gt;Conclusion&lt;/h3&gt;&lt;div&gt;Our work, employing data ","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 4","pages":"Article 100512"},"PeriodicalIF":1.2,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143620430","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}