{"title":"Synthesis of carbon dots based on chitosan and melamine and their application in detecting vanadate (V) anions","authors":"Farida ALLAMBERGENOVA , Zulayho SMANOVA , Nigora QUTLIMUROTOVA , Abdurakhman ABDREYMOV , Fotima SOBIROVA , Ruhiya QUTLIMUROTOVA , Khusan YAKHSHINOROV","doi":"10.1016/j.cjac.2025.100538","DOIUrl":"10.1016/j.cjac.2025.100538","url":null,"abstract":"<div><div>Vanadium is considered a microelement of great industrial, environmental, biological, and pharmacological importance. Vanadium-containing complexes have been widely used as biologically active compounds. Outside cells, vanadium exists in the form of the vanadate anion, while inside cells, it primarily exists as the tetravalent vanadyl cation. Both a deficiency and an excess of vanadium in the human body can lead to various diseases. Therefore, the aim of this study is to detect vanadium (V) ions using fluorescent carbon dots, which are capable of rapid and sensitive detection. In this study, carbon dots synthesized from chitosan and melamine were used as fluorescent reagents. Fluorescent carbon dots (C-dots) were synthesized by hydrothermally treating 99.95% pure chitosan with melamine at 180 °C for 5 h, followed by freeze-drying in a lyophilizer, and purification using high performance liquid chromatography (HPLC). These dots were found to emit bright green fluorescence. The formation of green fluorescence is associated with the incorporation of nitrogen into the carbon materials, which were then used for the detection of vanadium (V) ions. The C-dots and their complexation with vanadium (V) were fully characterized by infrared spectroscopy and spectrofluorometry.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 7","pages":"Article 100538"},"PeriodicalIF":1.2,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090528","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":"A novel coumarin-thiazole conjugated ICT fluorescent probe for cysteine specific detection in food samples, living cells and zebrafish","authors":"Xiaoyan CAO, Yifan WEI, Yingyue DING, Yichi ZHANG, Chuanqing REN, Qin WANG","doi":"10.1016/j.cjac.2025.100542","DOIUrl":"10.1016/j.cjac.2025.100542","url":null,"abstract":"<div><div>Inspired by the advantageous properties of coumarin and thiazole fluorophores, we rationally designed and developed a novel coumarin-thiazole conjugated fluorescent probe (PC), featuring an acryloyl ester group as the triggering and responding entity for the specific identification of cysteine (Cys). Probe PC exhibited a distinct color change (colorless to bright green), a large Stokes shift, excellent sensitivity, high selectivity, and strong anti-interference capabilities. the density function theory (DFT), high-resolution mass spectrometry (HRMS), and proton nuclear magnetic resonance (<sup>1</sup>H NMR) assays further affirmed that the response mechanism encompasses an addition-cyclization reaction between the acryloyl domain of probe PC and the sulfhydryl and amino entities of Cys, engendering the liberation of a lustrous green fluorescent chromophore (PC<strong><img></strong>OH) that can be visually discerned. Compared with previous reports, this is a new scaffold based on coumarin that achieves the quantitative determination of Cys in different food matrices in real-time. Furthermore, probe PC is effectively employed for visual imaging of Cys in A549 cells and five-day-old zebrafish, exhibiting low cytotoxicity and favorable cellular permeability, which demonstrated its practical application.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 7","pages":"Article 100542"},"PeriodicalIF":1.2,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144090661","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}
Walaa GABER , Nabila SHEHATA , May BIN-JUMAH , Ahmed A. ALLAM , Wail Al ZOUBI , Mostafa R. ABUKHADRA
{"title":"Steric and energetic studies on the retention of Cd (II) and Zn (II) metal ions into magnesium rich zeolite-A synthesized from natural talc: Experimental and theoretical studies","authors":"Walaa GABER , Nabila SHEHATA , May BIN-JUMAH , Ahmed A. ALLAM , Wail Al ZOUBI , Mostafa R. ABUKHADRA","doi":"10.1016/j.cjac.2025.100541","DOIUrl":"10.1016/j.cjac.2025.100541","url":null,"abstract":"<div><div>Magnesium-rich zeolite-A (Mg.ZA) was successfully synthesized from natural talc minerals as a novel form of magnesium silicate zeolitic structure with a surface area of 187 m<sup>2</sup>/g and mesoporous nature (1.5 to 10 nm). Different characterization techniques, including X-ray diffraction (XRD), fourier transform infrared spectroscopy (FT-IR), energy dispersive X-ray spectroscopy (EDX), scanning electron microscope (SEM), and Brunner−Emmet−Teller (BET), confirmed the formation of Mg.ZA. The adsorption properties of Mg.ZA were evaluated for effective retention of toxic Cd (II) and Zn (II) metallic ions from the water supplies. The Mg.ZA structure displays significant capacities for the two ions, with saturation capacities (278 mg/g (Cd (II)) and 221.2 mg/g (Zn (II)) higher than several investigated adsorbents. Based on the steric analysis of the applied advanced isotherm models, the structure of Mg.ZA was enriched in 150 and 106.9 mg/g effective uptake sites during the retention of Cd (II) and Zn (II), respectively. Up to three ions of Cd (II) and Zn (II) can occupy each of these sites, contributing to their adsorption in a vertical orientation through multi-interaction or multi-ionic mechanisms. The energetic assessment, either based on Gaussian energy (< 7 kJ/mol) or adsorption energy (< 6 kJ/mol), suggested the predominant impact of physical mechanisms (hydrogen bonds and electrostatic attraction), in addition to the impact of the zeolitic ion exchange process (0.6 to 25 kJ/mol). Furthermore, the thermodynamic functions declare the retention of these ions into the framework of Mg.ZA by exothermic and spontaneous reactions.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 6","pages":"Article 100541"},"PeriodicalIF":1.2,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143943581","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}
Ming BAI, Xuebing LI, Yawen LIU, Liwei ZHAO, Qingqi FENG, Jianlong MA
{"title":"Development and validation of an HPLC method for quantitative analysis of trigonelline","authors":"Ming BAI, Xuebing LI, Yawen LIU, Liwei ZHAO, Qingqi FENG, Jianlong MA","doi":"10.1016/j.cjac.2025.100530","DOIUrl":"10.1016/j.cjac.2025.100530","url":null,"abstract":"<div><div>Trigonelline is an alkaloid primarily found in fenugreek (Trigonella foenum-graecum) seeds, exhibiting diverse pharmacological activities, including anti-diabetic, antioxidant, and anti-inflammatory effects. With the growing application of trigonelline in drug development and quality control, the development of efficient and accurate analytical methods is critical to ensure its proper assessment and utilization. This study aims to develop and validate a HPLC method for the precise separation and quantitative determination of trigonelline. The method utilizes a Dalian Elite Hypersil NH<sub>2</sub> chromatographic column (250 mm × 4.6 mm, 5 µm) with a mobile phase of acetonitrile: water (70:30, <em>v</em>/<em>v</em>), a flow rate of 1.0 mL/min, column temperature maintained at 35 °C, and detection wavelength set at 264 nm. The method was applied to analyze fenugreek seed extracts prepared via ultrasonic extraction with methanol, employing a 30-minute extraction time. The results demonstrated that the method achieved an excellent linear range (<em>R</em><sup>2</sup> > 0.9999), high precision (RSD < 2 %), system suitability, and recovery rate is between 95 % and 105 %, meeting the quality standards for trigonelline analysis. In conclusion, this study introduces a reliable and efficient HPLC method, offering robust technical support for the quantitative analysis of trigonelline and the quality evaluation of related pharmaceutical products, facilitating its application in clinical drug monitoring and standardization.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 6","pages":"Article 100530"},"PeriodicalIF":1.2,"publicationDate":"2025-04-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143922270","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":"Network pharmacology-based identification of key pharmacological pathways of epimedium acting on hepatocellular carcinoma","authors":"Mei YAN , Guanping LAI , Renzhong XIAO","doi":"10.1016/j.cjac.2025.100532","DOIUrl":"10.1016/j.cjac.2025.100532","url":null,"abstract":"<div><div><em>Epimedium</em> (<em>Epimedium</em> Tourn. ex L.), a traditional Chinese herb, is known for its kidney-nourishing and Yang-reinforcing properties. Its flavonoids exhibit potential anticancer properties. Nevertheless, the precise mechanisms through which e<em>pimedium</em> impacts hepatocellular carcinoma (HCC) remain unclear. To elucidate these mechanisms, we employed a network pharmacology strategy. Active ingredients of <em>epimedium</em> were identified from the Traditional Chinese Medicine Systems Pharmacology Database and Analysis Platform database, whereas HCC-associated genes were extracted from five different databases. Protein-protein interaction networks were constructed using the STRING database, followed by Gene Ontology and Kyoto Encyclopedia of Genes and Genomes pathway analyses using the Database for Annotation, Visualization, and Integrated Discovery platform. Network analyses were conducted using Cytoscape 3.8.0 and R 4.0.4 with the Bioconductor package. Our findings revealed 23 active ingredients and 65 common targets in HCC, potentially modulating core targets, such as Cellular tumor antigen p53, Vascular endothelial growth factor A, RAC-alpha serine/threonine-protein kinase, Insulin-like growth factor 1 receptor, and Hepatocyte growth factor receptor. Chryseriol, luteolin, and kaempferol emerged as the top three core components affecting cancer pathways. Molecular docking studies confirmed that these ingredients effectively bind to the aforementioned targets. In summary, the therapeutic benefits of <em>epimedium</em> in HCC are likely attributed to bioactive ingredients such as chryseriol, luteolin, and kaempferol, which facilitate apoptosis in HCC cells. These ingredients also modulate crucial cancer-related pathways, including pidermal growth factor receptor tyrosine kinase inhibitor resistance, PI3K-Akt signaling, and vascular endothelial growth factor signaling. This study offers valuable insights into the pharmacological mechanisms underlying e<em>pimedium</em>’s effects in HCC, highlighting its potential as a promising therapeutic agent.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 6","pages":"Article 100532"},"PeriodicalIF":1.2,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143904158","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}
Angstone Thembachako MLANGENI , Fatema JAGOT , Sydney NAMAUMBO , Noel Jabesi KAPITO , Deborah Charles TSUKULUZA , Loti BOTHA , Patrick NDOVIE , Patsani KUMAMBALA
{"title":"Analytical strategies for quantifying methylated selenium species in staple crops: Methods, and emerging techniques","authors":"Angstone Thembachako MLANGENI , Fatema JAGOT , Sydney NAMAUMBO , Noel Jabesi KAPITO , Deborah Charles TSUKULUZA , Loti BOTHA , Patrick NDOVIE , Patsani KUMAMBALA","doi":"10.1016/j.cjac.2025.100511","DOIUrl":"10.1016/j.cjac.2025.100511","url":null,"abstract":"<div><h3>Background</h3><div>Selenium is an essential trace element that exists in various forms, including methylated species, each with distinct biological activities and toxicity profiles. Understanding these transformations is critical for evaluating selenium's role in health and the environment. This review was conducted through a targeted search of multiple databases, including PubMed, Scopus, Web of Science, and Google Scholar. Keywords such as \"selenium methylation detection\" and \"analytical methods for selenium\" were used to gather a broad and relevant selection of articles. Studies were included based on their relevance, methodological quality, and contributions to the field.</div></div><div><h3>Results</h3><div>The review provides a detailed analysis of both established and emerging analytical techniques for selenium detection. This includes gas chromatography-mass spectrometry (GC–MS), liquid chromatography-mass spectrometry (LC-MS), high-performance liquid chromatography (HPLC), X-ray absorption spectroscopy (XAS), and nuclear magnetic resonance (NMR). It evaluates the effectiveness of these methods in separating, identifying, and quantifying selenium species, with a particular focus on sensitivity, selectivity, and throughput. Additionally, new technologies such as capillary electrophoresis coupled with inductively coupled plasma-mass spectrometry (CE-ICP-MS) and laser-induced breakdown spectroscopy (LIBS) are discussed for their potential to enhance precision and efficiency.</div></div><div><h3>Significance</h3><div>This review highlights the critical role of advanced analytical methods in understanding selenium transformations and improving measurement accuracy. By addressing challenges such as matrix effects, overlapping retention times, and spectral interferences, the review underscores the importance of reliable selenium analysis for health and environmental assessments, and provides insights into the ongoing advancements in analytical technology.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 4","pages":"Article 100511"},"PeriodicalIF":1.2,"publicationDate":"2025-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143821559","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":"Analysis of metal electrochemical corrosion behavior and velocity under AC stray current","authors":"Jianli LI, Jun AN, Haining YU, Jing WANG","doi":"10.1016/j.cjac.2025.100528","DOIUrl":"10.1016/j.cjac.2025.100528","url":null,"abstract":"<div><div>Stray currents can cause electrochemical corrosion of metals, accelerate material aging, and even pose safety hazards. By studying corrosion behavior and speed, the degree of damage caused by stray currents to metals can be evaluated, protective measures (cathodic protection, insulation design, etc.) can be optimized, the service life of metal structures can be extended, maintenance costs can be reduced, and the safe and stable operation of power systems and infrastructure can be ensured. Therefore, research on the electrochemical corrosion behavior and velocity analysis method of metals under AC stray current. This article mainly explores the influence of different alternating current (AC) stray current densities on the electrochemical corrosion behavior of 316L stainless steel. The experiment used Yingtan soil simulation solution, and analyzed the changes in indicators through electrochemical testing, corrosion morphology observation, and corrosion rate calculation. The results indicate that the corrosion rate of 316L stainless steel in soil simulation solution shows a trend of first decreasing and then increasing when disturbed by AC stray current density. In the initial stage, the synergistic effect of high concentrations of Cl<sup>–</sup> and O<sub>2</sub> leads to a faster corrosion rate. Over time, corrosion products increase and form a film layer, which hinders harmful ion erosion and slows down the corrosion rate. However, after prolonged immersion, the corrosion product film may crack, crevice, or even peel off, causing crevice corrosion and galvanic corrosion, accelerating the corrosion process. AC stray current forms a \"tip discharge\" through the defect, further exacerbating corrosion. With the increase of AC interference current density, the corrosion rate of 316L stainless steel significantly increases, and the main corrosion form changes from uniform corrosion to localized corrosion. When the stray current density is greater than or equal to 200 A/m<sup>2</sup>, the corrosion degree of 316L stainless steel under the peeling coating reaches severe corrosion. This study is of great significance for understanding the impact of AC stray currents on metal corrosion and developing effective protective measures.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 6","pages":"Article 100528"},"PeriodicalIF":1.2,"publicationDate":"2025-03-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144071884","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}
Tao FANG , Tingting WANG , Uchkun ISHIMOV , Yuan LI , Ghulam MURTAZA , Awais IHSAN , Yanbing PAN , Ruiting TIAN , Han CHENG , Xianju HUANG
{"title":"Electrochemical surface modification and regeneration of carbon fiber microelectrodes in deionized water","authors":"Tao FANG , Tingting WANG , Uchkun ISHIMOV , Yuan LI , Ghulam MURTAZA , Awais IHSAN , Yanbing PAN , Ruiting TIAN , Han CHENG , Xianju HUANG","doi":"10.1016/j.cjac.2025.100531","DOIUrl":"10.1016/j.cjac.2025.100531","url":null,"abstract":"<div><div>The contamination, passivation, or fouling of the detection electrodes is a serious problem undermining the analytical performance of electroanalytical devices. In this paper, a simple and effective carbon fiber microelectrodes (CFME) renewal method was proposed for the first time. CFME was pretreated with an initial potential of 1.75 V in deionized water for 26.13 min to obtain an activated electrode with a significantly increased electrochemical response to dopamine. This method can restore the electrochemical performance of the inactivated CFME. An advantage of this method is that its activation and regeneration effect on the electrode was not less than the other reported activation solutions, although deionized water does not contain any other electrolyte. Our study furthered the understanding of the activation mechanism of CFME treated electrochemically in deionized water, this was ascribed to a renewing in the surface of carbon fibers after electrochemical treatment. At the same time, it was proved that the oxygen-containing functional groups were modified on the surface of activated CFME, which led to the regeneration of an electrochemically active surface and improved CFME sensitivity. The differential pulse voltammetry (DPV) response of dopamine showed good linearity (<em>R</em><sup>2</sup> = 0.9961) on the regenerated CFME in the concentration range from 1.0 × 10<sup>−7</sup> to 1.0 × 10<sup>−4</sup> mol/L. A limit of detection as low as 3.1 × 10<sup>–8</sup> mol/L was found. The regenerated CFME was quite stable and had good reproducibility. It is expected to be applied to activate and regenerate electrodes contaminated in the monitoring of a complex biological microenvironment.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 6","pages":"Article 100531"},"PeriodicalIF":1.2,"publicationDate":"2025-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143833125","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}
Xilong QIAN , Sicheng WU , Liu ZHOU , Zheng LIU , Yanqiong PAN , Xiangsong MENG , YuLu MA , Fang FANG , Kewei WANG , Jing ZHAO , Shengjin LIU
{"title":"Characterization and Health - related Study of Maifanitum by ATR - FTIR and ICP - MS","authors":"Xilong QIAN , Sicheng WU , Liu ZHOU , Zheng LIU , Yanqiong PAN , Xiangsong MENG , YuLu MA , Fang FANG , Kewei WANG , Jing ZHAO , Shengjin LIU","doi":"10.1016/j.cjac.2025.100529","DOIUrl":"10.1016/j.cjac.2025.100529","url":null,"abstract":"<div><div>With the continuous rise of consumers' material and physical health pursuit, it is particularly critical to evaluate the safety and effectiveness of natural healthy mineral materials such as Maifanitum. The progress of modern analytical technology enables us to deeply study the internal characteristics and mechanism of these traditional mineral materials, providing a solid scientific foundation and technical support for the application of Maifanitum. A comprehensive analysis of Maifanitum was conducted using attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) and inductively coupled plasma mass spectrometry (ICP-MS). The ATR-FTIR analysis established a quality control fingerprint for Maifanitum, and the similarity evaluation method was employed to assess the similarity between different samples. Orthogonal partial least squares discriminant analysis (OPLS-DA) analysis revealed distinct absorption peaks among Maifanitum samples from different production areas, enabling traceability and identification. ICP-MS technology was utilized to analyze the inorganic elements in Maifanitum, revealing numerous elements closely associated with human health. These findings indicate that the established ATR-FTIR fingerprint can be effectively used to identify and control the quality of Maifanitum. The characteristics of inorganic elements in Maifanitum can not only help to distinguish its sources, but also provide a theoretical basis for the current application of Maifanitum in health care.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 6","pages":"Article 100529"},"PeriodicalIF":1.2,"publicationDate":"2025-03-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143833124","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}
Ruinan REN , Fang WANG , Guoan ZHAO , Qi YU , Jinling ZHANG , Wenbao WANG , Tianyang WANG , Song LIN , Yan LIN
{"title":"Deciphering the mechanism of Sang Ju Yin in ameliorating acute lung injury: An integrated systems pharmacology approach encompassing chemical composition analysis, network pharmacology, metabolomics, molecular docking and molecular biology","authors":"Ruinan REN , Fang WANG , Guoan ZHAO , Qi YU , Jinling ZHANG , Wenbao WANG , Tianyang WANG , Song LIN , Yan LIN","doi":"10.1016/j.cjac.2025.100527","DOIUrl":"10.1016/j.cjac.2025.100527","url":null,"abstract":"<div><div>Sang Ju Yin (SJY), a renowned traditional Chinese medicinal formula, has been widely utilized in acute lung injury (ALI) management. Yet, its underlying therapeutic mechanisms remain obscure. This study devised an innovative and integrated methodology, merging advanced chemical analysis with biological assays, to elucidate SJY's action mechanism in ALI treatment. Initially, UFLC-ESI-QTOF-MS was employed to precisely analyze SJY's chemical constituents. Subsequently, network pharmacology predicted potential targets and signaling pathways for SJY's beneficial effects. In parallel, pharmacodynamic evaluation was performed on ALI rats. Utilizing LC-MS and <sup>1</sup>H NMR metabolomics techniques with an innovative data fusion strategy, potential biomarkers and perturbed metabolic pathways were identified. Crucially, integrating network pharmacology and metabolomics insights yielded a holistic understanding of the mechanism. Finally, verification experiments involving molecular docking, Western Blot, and qRT-PCR were carried out. Notably, potential key bioactive components including apigenin were identified for SJY's anti-ALI activity. Marked perturbations in representative pathways such as arachidonic acid (AA) metabolism and PI3K-Akt pathway were obtained after SJY administration. Furthermore, integrated data spotlighted PTGS2, PLA2, and AA metabolism as pivotal, linking predicted targets and metabolic alterations for SJY in ALI treatment. In summary, this study uncovers SJY's mechanism in ALI treatment, presenting an advanced interdisciplinary framework. It deepens our comprehension of traditional Chinese medicine's role in ALI, setting a new standard for research at the chemistry-pharmacology interface.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 5","pages":"Article 100527"},"PeriodicalIF":1.2,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143829894","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}