Pub Date : 2025-07-22DOI: 10.1016/j.cjac.2025.100600
Zhuo-Fan XIE, Hao-liang ZHANG, Zao-liang MA, Su-Fang CHEN, Jian-Chun MA
Non-alcoholic fatty liver disease (NAFLD), the most prevalent chronic liver disorder worldwide, is characterized by excessive triglyceride accumulation in the liver. It is strongly associated with metabolic syndrome, type 2 diabetes mellitus, obesity, and cardiovascular diseases. Fueled by the global increase in obesity rates, NAFLD has emerged as the most common liver disease globally. In this study, we utilized liquid chromatography-tandem mass spectrometry (LC-MS/MS) to comprehensively characterize the chemical constituents of Millettia speciosa Champ. By combining network pharmacology and molecular docking techniques, we constructed a “component-target-pathway” network to elucidate the therapeutic targets and mechanisms underlying the anti-NAFLD effects of Millettia speciosa Champ. This integrated approach offers novel insights into its pharmacological activity and identifies potential clinical applications for NAFLD management.
{"title":"Multi-omics integration of LC-MS/MS, network pharmacology, and molecular docking reveals pleiotropic mechanisms of Millettia speciosa Champ. in NAFLD therapy","authors":"Zhuo-Fan XIE, Hao-liang ZHANG, Zao-liang MA, Su-Fang CHEN, Jian-Chun MA","doi":"10.1016/j.cjac.2025.100600","DOIUrl":"10.1016/j.cjac.2025.100600","url":null,"abstract":"<div><div>Non-alcoholic fatty liver disease (NAFLD), the most prevalent chronic liver disorder worldwide, is characterized by excessive triglyceride accumulation in the liver. It is strongly associated with metabolic syndrome, type 2 diabetes mellitus, obesity, and cardiovascular diseases. Fueled by the global increase in obesity rates, NAFLD has emerged as the most common liver disease globally. In this study, we utilized liquid chromatography-tandem mass spectrometry (LC-MS/MS) to comprehensively characterize the chemical constituents of <em>Millettia speciosa Champ.</em> By combining network pharmacology and molecular docking techniques, we constructed a “component-target-pathway” network to elucidate the therapeutic targets and mechanisms underlying the anti-NAFLD effects of <em>Millettia speciosa Champ.</em> This integrated approach offers novel insights into its pharmacological activity and identifies potential clinical applications for NAFLD management.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 12","pages":"Article 100600"},"PeriodicalIF":1.3,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145527516","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}
Pub Date : 2025-07-22DOI: 10.1016/j.cjac.2025.100599
Yang Yu , Dingqi Li , Guilin Song , Yan Gao , Dong Wang , Chongcheng Xi , Quansheng Feng
Lung cancer is one of the deadliest malignant tumors globally, and innovative early diagnostic technologies are crucial for improving patient prognosis. This study innovatively integrates chemical sensors with generative artificial intelligence (AI) technologies to construct a research paradigm for the intelligent design of lung cancer-specific receptors and the optimization of sensor interfaces. In terms of technological innovation, on the one hand, an electrochemical sensing system based on nano-composite materials and an optical enhancement detection platform are built to achieve ultra-trace detection of lung cancer markers, aiming to break through the sensitivity bottleneck of traditional methods; On the other hand, multi-modal generative models are utilized to deeply mine multi-omics data, designing intelligent receptors with topological adaptability, significantly improving the accuracy and binding efficiency of biomolecule recognition. Clinical validation results show that this technology greatly enhances diagnostic efficacy in early lung cancer screening, and personalized treatment strategies based on AI effectively extend patient survival. In terms of technical translation and application, the developed portable detection devices and wearable monitoring technologies can reduce detection costs, providing a widely applicable screening solution for areas with limited medical resources. The study also reveals core challenges such as the explainability of generative AI and the environmental stability of sensors, proposing forward-looking directions such as quantum-biological interface integration and biomimetic adaptive sensing. This research establishes a new paradigm of "intelligent perception- dynamic optimization-precise intervention" for early lung cancer diagnosis, with significant clinical translational value.
{"title":"Research on the precise design of lung cancer-specific receptors and intelligent optimization strategies for sensing interfaces based on the fusion technology of chemical sensors and generative AI","authors":"Yang Yu , Dingqi Li , Guilin Song , Yan Gao , Dong Wang , Chongcheng Xi , Quansheng Feng","doi":"10.1016/j.cjac.2025.100599","DOIUrl":"10.1016/j.cjac.2025.100599","url":null,"abstract":"<div><div>Lung cancer is one of the deadliest malignant tumors globally, and innovative early diagnostic technologies are crucial for improving patient prognosis. This study innovatively integrates chemical sensors with generative artificial intelligence (AI) technologies to construct a research paradigm for the intelligent design of lung cancer-specific receptors and the optimization of sensor interfaces. In terms of technological innovation, on the one hand, an electrochemical sensing system based on nano-composite materials and an optical enhancement detection platform are built to achieve ultra-trace detection of lung cancer markers, aiming to break through the sensitivity bottleneck of traditional methods; On the other hand, multi-modal generative models are utilized to deeply mine multi-omics data, designing intelligent receptors with topological adaptability, significantly improving the accuracy and binding efficiency of biomolecule recognition. Clinical validation results show that this technology greatly enhances diagnostic efficacy in early lung cancer screening, and personalized treatment strategies based on AI effectively extend patient survival. In terms of technical translation and application, the developed portable detection devices and wearable monitoring technologies can reduce detection costs, providing a widely applicable screening solution for areas with limited medical resources. The study also reveals core challenges such as the explainability of generative AI and the environmental stability of sensors, proposing forward-looking directions such as quantum-biological interface integration and biomimetic adaptive sensing. This research establishes a new paradigm of \"intelligent perception- dynamic optimization-precise intervention\" for early lung cancer diagnosis, with significant clinical translational value.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"54 1","pages":"Article 100599"},"PeriodicalIF":1.3,"publicationDate":"2025-07-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837683","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}
Pub Date : 2025-07-14DOI: 10.1016/j.cjac.2025.100589
Pompy Sarkar , Jayanta K. Ray , Atiur Ahmed
An efficient approach has been discovered towards the preparation of 6H-benzo[c]chromenes and analogues via the in situ developed palladium nanoparticle-catalyzed cascade of Suzuki-Miyaura cross-coupling and intramolecular SN2 reaction under aerobic conditions. To make the reactions eco-friendly, water was chosen as the solvent along with the use of phosphine ligand was avoided. The reactions were found to be highly efficient with the productions of the chromenes upto the excellent yield of 96 % at 80 °C. Therefore, the several advantages like eco-friendly, mild, easy to handle, tolerance of various functional groups and efficient production of diverse benzo[c]chromenes have made this method as novel.
{"title":"In situ produced palladium nanoparticle-catalyzed efficient synthesis of benzo[c]chromenes and analogues under aerobic and ligand-free conditions in water","authors":"Pompy Sarkar , Jayanta K. Ray , Atiur Ahmed","doi":"10.1016/j.cjac.2025.100589","DOIUrl":"10.1016/j.cjac.2025.100589","url":null,"abstract":"<div><div>An efficient approach has been discovered towards the preparation of 6<em>H</em>-benzo[<em>c</em>]chromenes and analogues <em>via</em> the <em>in situ</em> developed palladium nanoparticle-catalyzed cascade of Suzuki-Miyaura cross-coupling and intramolecular S<sub>N</sub>2 reaction under aerobic conditions. To make the reactions eco-friendly, water was chosen as the solvent along with the use of phosphine ligand was avoided. The reactions were found to be highly efficient with the productions of the chromenes upto the excellent yield of 96 % at 80 °C. Therefore, the several advantages like eco-friendly, mild, easy to handle, tolerance of various functional groups and efficient production of diverse benzo[<em>c</em>]chromenes have made this method as novel.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100589"},"PeriodicalIF":1.3,"publicationDate":"2025-07-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145060098","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}
Pub Date : 2025-07-11DOI: 10.1016/j.cjac.2025.100594
May N. Bin JUMAH , Ahmed M. El-SHERBEENY , Amna M. FARHAN , Ahmed A. ALLAM , Wail Al ZOUBI , Mostafa R. ABUKHADRA
This study explores the potential of spent black tea (S.BT) as a heterogeneous acidic catalyst for biodiesel production from waste cooking oil (WCO) via transesterification. S.BT, a waste material, was sulfonated without carbonization, resulting in a catalyst with enhanced catalytic properties. The catalyst was characterized for key physicochemical properties, including an acid density of 34.6 mmol/g, surface area of 58.3 m2/g, and sulfur content of 3.14 wt%. Under optimal reaction conditions—50 °C, 70 min, 3 wt% S.BT catalyst loading, and a methanol/oil ratio of 10:1—transesterification of WCO with methanol yielded biodiesel with a maximum conversion of 97.3 %. A statistical optimization approach using response surface methodology (RSM) demonstrated that biodiesel yield can be increased to over 99 % by adjusting factors such as temperature, catalyst loading, and methanol/oil ratio. Kinetic analysis revealed that the transesterification followed pseudo-first-order kinetics with an activation energy (Ea) of 34.3 kJ/mol, indicating the reaction proceeds efficiently at moderate temperatures. The thermodynamic analysis, using the Eyring-Polanyi equation, revealed a positive activation enthalpy (ΔH* = 31.76 kJ/mol), indicating the endothermic nature of the process, and a positive entropy (ΔS* = 18.36 J/K·mol), reflecting increased disorder at the transition state. Gibbs free energy (ΔG*) values ranged from –5.35 kJ/mol at 30 °C to –5.71 kJ/mol at 50 °C, confirming the thermodynamic feasibility of the reaction at elevated temperatures. The biodiesel produced met international fuel standards (ASTM D6751 and EN 14214), with a cetane number of 65.3, flash point of 152.3 °C, viscosity of 3.62 mm2/s, and density of 0.837 g/cm3, confirming its suitability for diesel engines. These results underscore the efficiency, sustainability, and cost-effectiveness of S.BT as a catalyst for biodiesel production.
{"title":"Recycling spent black tea as a novel heterogeneous acidic catalyst for efficient biodiesel production from waste cooking oil: Optimization, kinetics, and thermodynamic insights","authors":"May N. Bin JUMAH , Ahmed M. El-SHERBEENY , Amna M. FARHAN , Ahmed A. ALLAM , Wail Al ZOUBI , Mostafa R. ABUKHADRA","doi":"10.1016/j.cjac.2025.100594","DOIUrl":"10.1016/j.cjac.2025.100594","url":null,"abstract":"<div><div>This study explores the potential of spent black tea (S.BT) as a heterogeneous acidic catalyst for biodiesel production from waste cooking oil (WCO) via transesterification. S.BT, a waste material, was sulfonated without carbonization, resulting in a catalyst with enhanced catalytic properties. The catalyst was characterized for key physicochemical properties, including an acid density of 34.6 mmol/g, surface area of 58.3 m<sup>2</sup>/g, and sulfur content of 3.14 wt%. Under optimal reaction conditions—50 °C, 70 min, 3 wt% S.BT catalyst loading, and a methanol/oil ratio of 10:1—transesterification of WCO with methanol yielded biodiesel with a maximum conversion of 97.3 %. A statistical optimization approach using response surface methodology (RSM) demonstrated that biodiesel yield can be increased to over 99 % by adjusting factors such as temperature, catalyst loading, and methanol/oil ratio. Kinetic analysis revealed that the transesterification followed pseudo-first-order kinetics with an activation energy (<em>E</em><sub>a</sub>) of 34.3 kJ/mol, indicating the reaction proceeds efficiently at moderate temperatures. The thermodynamic analysis, using the Eyring-Polanyi equation, revealed a positive activation enthalpy (Δ<em>H</em>* = 31.76 kJ/mol), indicating the endothermic nature of the process, and a positive entropy (Δ<em>S</em>* = 18.36 J/K·mol), reflecting increased disorder at the transition state. Gibbs free energy (Δ<em>G</em>*) values ranged from –5.35 kJ/mol at 30 °C to –5.71 kJ/mol at 50 °C, confirming the thermodynamic feasibility of the reaction at elevated temperatures. The biodiesel produced met international fuel standards (ASTM <span><span>D6751</span><svg><path></path></svg></span> and EN 14214), with a cetane number of 65.3, flash point of 152.3 °C, viscosity of 3.62 mm<sup>2</sup>/s, and density of 0.837 g/cm<sup>3</sup>, confirming its suitability for diesel engines. These results underscore the efficiency, sustainability, and cost-effectiveness of S.BT as a catalyst for biodiesel production.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100594"},"PeriodicalIF":1.3,"publicationDate":"2025-07-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334703","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}
Pub Date : 2025-07-09DOI: 10.1016/j.cjac.2025.100595
Mengxia YANG , Shengbao HE , Fei YANG , Huimin DENG , Yanbo ZENG , Chunqiong WANG , Fengqin CHANG , Guangzhi HU
Lead (Pb) in the environment are a source of environmental pollution and also presents serious risks to public health. Accordingly, developing rapid and effective Pb(II) detection techniques is essential for environmental protection and biosafety. For Pb(II) detection, tubular Fe2O3-graphitic carbon nitride (GCN) composites were successfully prepared herein, and the morphology, structure, and chemical composition were characterized by utilizing various characterization techniques. Fe2O3-GCN was prepared by modifying GCN with Fe2O3, and an Fe2O3-GCNNafion/GCE electrochemical sensor was successfully developed. Under the optimal conditions, the electrochemical signals showed linear correlation with the Pb(II) concentration across two ranges, 3‒15 μg/L and 15‒80 μg/L, and achieving a low detection limit (0.084 μg/L). The Fe2O3-GCNNafion/GCE electrochemical sensor exhibited excellent stability, resistance to interference, and good applicability in detecting Pb(II) in both surface water and tobacco digestion solution. This study provides a new strategy for heavy-metal sensing in environmental and tobacco samples, while simultaneously expanding the application of GCN composites in sensing platforms.
{"title":"Fe2O3-functionalized graphite carbon nitride microtube-based electrochemical sensor for sensitive quantification of lead in tobacco and environmental samples","authors":"Mengxia YANG , Shengbao HE , Fei YANG , Huimin DENG , Yanbo ZENG , Chunqiong WANG , Fengqin CHANG , Guangzhi HU","doi":"10.1016/j.cjac.2025.100595","DOIUrl":"10.1016/j.cjac.2025.100595","url":null,"abstract":"<div><div>Lead (Pb) in the environment are a source of environmental pollution and also presents serious risks to public health. Accordingly, developing rapid and effective Pb(II) detection techniques is essential for environmental protection and biosafety. For Pb(II) detection, tubular Fe<sub>2</sub>O<sub>3</sub>-graphitic carbon nitride (GCN) composites were successfully prepared herein, and the morphology, structure, and chemical composition were characterized by utilizing various characterization techniques. Fe<sub>2</sub>O<sub>3</sub>-GCN was prepared by modifying GCN with Fe<sub>2</sub>O<sub>3,</sub> and an Fe<sub>2</sub>O<sub>3</sub>-GCN<img>Nafion/GCE electrochemical sensor was successfully developed. Under the optimal conditions, the electrochemical signals showed linear correlation with the Pb(II) concentration across two ranges, 3‒15 μg/L and 15‒80 μg/L, and achieving a low detection limit (0.084 μg/L). The Fe<sub>2</sub>O<sub>3</sub>-GCN<img>Nafion/GCE electrochemical sensor exhibited excellent stability, resistance to interference, and good applicability in detecting Pb(II) in both surface water and tobacco digestion solution. This study provides a new strategy for heavy-metal sensing in environmental and tobacco samples, while simultaneously expanding the application of GCN composites in sensing platforms.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100595"},"PeriodicalIF":1.3,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334700","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}
Pub Date : 2025-07-09DOI: 10.1016/j.cjac.2025.100584
Chongxiang XUE , Sha DI , Ying CHEN , Tiange WANG , Haoran WU , Xinyi FANG , Yaguang CHEN , Min LI
Background
Diabetic retinopathy (DR) is a leading cause of blindness in the adult population. Luo-Tong formula (LTF), a traditional Chinese medicine prescription, has been frequently employed in the treatment of DR. However, the ability of LTF to prevent retinal injury and disease progression, as well as potential mechanisms, remain unknown.
Objectives
To investigate the effect of LTF in alleviating DR and uncover the potential hub targets.
Methods
An experimental DR model was established to assess the effect of LTF and elucidate its underlying mechanism. Retinal thickness, morphological changes of retinal microvessels, as well as the numbers of endothelial cells and pericyte ghosts, were examined. Methylation status was evaluated with methylated DNA immunoprecipitation processing. Bioinformatic analysis of array results was used to screen hub genes. Interactions between potential targets and active compounds were assessed by molecular docking. ADMET analysis was used to evaluate drug-likeness characteristics and toxicity. Molecular dynamics (MD) simulation and MMGBSA calculation of binding free energies were conducted for the optimal core active compound-target complexes obtained by molecular docking.
Results
The administration of LTF demonstrated improvements in glycolipid metabolic disorder and a significant reduction in oxidative stress and inflammation in DR rats. Additionally, LTF exhibited protective properties against retinal injury. A quantitative analysis of DNA methylation indicated alterations in the composition and quantity of methylated genes following LTF intervention. Four important functional epigenetic modules and six hub genes (Fgfr1, TOX3, Rps9, Rps15, Rpl7, Mrpl36) were identified. Molecular docking identified ten compounds of LTF and 23 binding complexes with lower binding energy (< 7 kcal/mol), while five compounds were excluded after ADMET analysis. Two complexes (Aloe-emodin-TOX3, Panaxatriol-Fgfr1) with the lowest binding energy were further chosen for MD simulation and both complexes have stable and satisfactory binding systems. Finally, MMGBSA calculation of binding free energies revealed that Panaxatriol-Fgfr1 complex was identified as the drug-target candidate in the pharmacological treatment of DR.
Conclusions
LTF has demonstrated efficacy for DR, and its mechanisms may be associated with the regulation of DNA methylation. Panaxatriol-Fgfr1 complex was identified as the drug-target candidate. Epigenetic modifications following LTF intervention have been implicated in the pathogenesis of DR and offer potential therapeutic opportunities for early diagnosis and treatment in the future.
{"title":"Traditional Chinese medicine Luo Tong Formula attenuates retinal injury in experimental diabetic retinopathy via modulation of DNA methylation: In vivo experiment integrated with molecular docking, ADMET assessment, and molecular dynamics simulation","authors":"Chongxiang XUE , Sha DI , Ying CHEN , Tiange WANG , Haoran WU , Xinyi FANG , Yaguang CHEN , Min LI","doi":"10.1016/j.cjac.2025.100584","DOIUrl":"10.1016/j.cjac.2025.100584","url":null,"abstract":"<div><h3>Background</h3><div>Diabetic retinopathy (DR) is a leading cause of blindness in the adult population. Luo-Tong formula (LTF), a traditional Chinese medicine prescription, has been frequently employed in the treatment of DR. However, the ability of LTF to prevent retinal injury and disease progression, as well as potential mechanisms, remain unknown.</div></div><div><h3>Objectives</h3><div>To investigate the effect of LTF in alleviating DR and uncover the potential hub targets.</div></div><div><h3>Methods</h3><div>An experimental DR model was established to assess the effect of LTF and elucidate its underlying mechanism. Retinal thickness, morphological changes of retinal microvessels, as well as the numbers of endothelial cells and pericyte ghosts, were examined. Methylation status was evaluated with methylated DNA immunoprecipitation processing. Bioinformatic analysis of array results was used to screen hub genes. Interactions between potential targets and active compounds were assessed by molecular docking. ADMET analysis was used to evaluate drug-likeness characteristics and toxicity. Molecular dynamics (MD) simulation and MMGBSA calculation of binding free energies were conducted for the optimal core active compound-target complexes obtained by molecular docking.</div></div><div><h3>Results</h3><div>The administration of LTF demonstrated improvements in glycolipid metabolic disorder and a significant reduction in oxidative stress and inflammation in DR rats. Additionally, LTF exhibited protective properties against retinal injury. A quantitative analysis of DNA methylation indicated alterations in the composition and quantity of methylated genes following LTF intervention. Four important functional epigenetic modules and six hub genes (<em>Fgfr1, TOX3, Rps9, Rps15, Rpl7, Mrpl36</em>) were identified. Molecular docking identified ten compounds of LTF and 23 binding complexes with lower binding energy (< 7 kcal/mol), while five compounds were excluded after ADMET analysis. Two complexes (Aloe-emodin-<em>TOX3</em>, Panaxatriol-<em>Fgfr1</em>) with the lowest binding energy were further chosen for MD simulation and both complexes have stable and satisfactory binding systems. Finally, MMGBSA calculation of binding free energies revealed that Panaxatriol-<em>Fgfr1</em> complex was identified as the drug-target candidate in the pharmacological treatment of DR.</div></div><div><h3>Conclusions</h3><div>LTF has demonstrated efficacy for DR, and its mechanisms may be associated with the regulation of DNA methylation. Panaxatriol-<em>Fgfr1</em> complex was identified as the drug-target candidate. Epigenetic modifications following LTF intervention have been implicated in the pathogenesis of DR and offer potential therapeutic opportunities for early diagnosis and treatment in the future.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100584"},"PeriodicalIF":1.3,"publicationDate":"2025-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095729","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}
Pub Date : 2025-07-08DOI: 10.1016/j.cjac.2025.100597
Yiyuan CHEN, Jing LI
Central precocious puberty (CPP) is a familiar disease in preadolescent children. Gut microbes exert a vital role in CPP development. Qingxiangyin (QXY), a traditional Chinese medicine, has been employed to treat CPP for long time, but its effect on gut microbiota in CPP remains unclear. In the present study, the 16S rRNA sequencing was utilized to investigate gut microbiota in CPP mice after QXY treatment. Results showed that QXY obviously increased gut microbiota diversity and richness of CPP mice. The abundance of Lactobacillus and Odoribacter was decreased, and Ruminococcus, Bacteroides, and Prevotella were increased in CPP mice, whereas QXY partly reversed this trend. Furthermore, KEGG analysis revealed that gut microbiota was chiefly engaged in amino acid metabolism, Carbohydrate metabolism, and lipid metabolism in CPP mice. In conclusion, QXY could adjust the structure and composition of gut microbiota in CPP mice. The results offered an evidence that QXY might affect CPP via regulating gut microbiota.
{"title":"Deciphering gut microbiota alternation in central precocious puberty mice after Qingxiangyin treatment using 16S rRNA sequencing","authors":"Yiyuan CHEN, Jing LI","doi":"10.1016/j.cjac.2025.100597","DOIUrl":"10.1016/j.cjac.2025.100597","url":null,"abstract":"<div><div>Central precocious puberty (CPP) is a familiar disease in preadolescent children. Gut microbes exert a vital role in CPP development. Qingxiangyin (QXY), a traditional Chinese medicine, has been employed to treat CPP for long time, but its effect on gut microbiota in CPP remains unclear. In the present study, the 16S rRNA sequencing was utilized to investigate gut microbiota in CPP mice after QXY treatment. Results showed that QXY obviously increased gut microbiota diversity and richness of CPP mice. The abundance of <em>Lactobacillus</em> and <em>Odoribacter</em> was decreased, and <em>Ruminococcus, Bacteroides</em>, and <em>Prevotella</em> were increased in CPP mice, whereas QXY partly reversed this trend. Furthermore, KEGG analysis revealed that gut microbiota was chiefly engaged in amino acid metabolism, Carbohydrate metabolism, and lipid metabolism in CPP mice. In conclusion, QXY could adjust the structure and composition of gut microbiota in CPP mice. The results offered an evidence that QXY might affect CPP via regulating gut microbiota.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100597"},"PeriodicalIF":1.3,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145360192","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}
Pub Date : 2025-07-08DOI: 10.1016/j.cjac.2025.100596
Haizhi Wu , Hongfeng Gao
This paper uses Auricularia auricula as the biological matrix material to synthesize carbon quantum dots (CQDs) with blue fluorescence by one step hydrothermal method. The characterization results by transmission electron microscope (TEM), X-ray diffraction (XRD), fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) indicate that CQDs are spherical in shape with an average particle size of 6 nm. The surface of CQDs contains hydrophilic groups such as hydroxyl, carboxyl, and amino groups, which have good water solubility. At the same time, CQDs have good fluorescence stability and excellent selectivity and anti-interference properties towards Fe3+. They exhibit good linearity in the range of 3–40 μmol/L, with a detection limit of 0.28 μmol/L. CQDs have been used as probes for the detection of Fe3+ content in tap water and mineral water, and satisfactory results have been obtained. Therefore, this probe has broad application prospects.
{"title":"Preparation of Auricularia auricula doped carbon-nitrogen quantum dots and their application in detecting heavy metal ions","authors":"Haizhi Wu , Hongfeng Gao","doi":"10.1016/j.cjac.2025.100596","DOIUrl":"10.1016/j.cjac.2025.100596","url":null,"abstract":"<div><div>This paper uses <em>Auricularia auricula</em> as the biological matrix material to synthesize carbon quantum dots (CQDs) with blue fluorescence by one step hydrothermal method. The characterization results by transmission electron microscope (TEM), X-ray diffraction (XRD), fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS) indicate that CQDs are spherical in shape with an average particle size of 6 nm. The surface of CQDs contains hydrophilic groups such as hydroxyl, carboxyl, and amino groups, which have good water solubility. At the same time, CQDs have good fluorescence stability and excellent selectivity and anti-interference properties towards Fe<sup>3+</sup>. They exhibit good linearity in the range of 3–40 μmol/L, with a detection limit of 0.28 μmol/L. CQDs have been used as probes for the detection of Fe<sup>3+</sup> content in tap water and mineral water, and satisfactory results have been obtained. Therefore, this probe has broad application prospects.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100596"},"PeriodicalIF":1.3,"publicationDate":"2025-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095490","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}
Pub Date : 2025-07-07DOI: 10.1016/j.cjac.2025.100593
Zhiruo JIA , Yuanle SHEN , Liping SU , Peng WANG , Junpeng YU , Jiaxin WANG , Lulu TAN , Qiming PAN , Hailing YANG , Jianfang FENG , Zhenjie LIU
Traditional chemical analysis methods for evaluating the quality of traditional Chinese medicine (TCM), such as Cortex fraxini (C. fraxini), often fail to comprehensively address spectrum–effect, dose–effect, and toxicity–effect relationships, limiting their ability to predict clinical efficacy and safety. To overcome this challenge, this study introduces the effect–constituent index (ECI), a novel metric integrating multidimensional chemical composition data and bioactivity-based weighting strategies for holistic quality assessment. Focusing on the antioxidant properties of C. fraxini, we established a high-performance liquid chromatography (HPLC) fingerprint profile to quantify four key bioactive components (esculin, fraxin, esculetin, and fraxetin) and evaluated their antioxidant capacities via 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical-scavenging assays. The ECI framework revealed significant variability in antioxidant potential across 38 batches, with batches S13, S16, and S11 exhibiting the highest DPPH- and ABTS-based ECI values, while S10, S35, and S14 consistently ranked lowest. Validation experiments confirmed a strong correlation between calculated ECI values and experimentally determined antioxidant activities, although certain batches (e.g., S11, S13, S15, S16) demonstrated higher measured bioactivity than predicted. This study successfully bridges chemical composition with therapeutic efficacy by establishing concentration–effect relationships for active constituents, offering a robust and innovative tool for advancing quality control paradigms in herbal medicine. The ECI model provides a scientific foundation for optimizing the safety, efficacy, and standardization of TCM.
{"title":"Beyond chemistry: A multidimensional approach to assessing Cortex fraxini","authors":"Zhiruo JIA , Yuanle SHEN , Liping SU , Peng WANG , Junpeng YU , Jiaxin WANG , Lulu TAN , Qiming PAN , Hailing YANG , Jianfang FENG , Zhenjie LIU","doi":"10.1016/j.cjac.2025.100593","DOIUrl":"10.1016/j.cjac.2025.100593","url":null,"abstract":"<div><div>Traditional chemical analysis methods for evaluating the quality of traditional Chinese medicine (TCM), such as <em>Cortex fraxini</em> (<em>C. fraxini</em>), often fail to comprehensively address spectrum–effect, dose–effect, and toxicity–effect relationships, limiting their ability to predict clinical efficacy and safety. To overcome this challenge, this study introduces the effect–constituent index (ECI), a novel metric integrating multidimensional chemical composition data and bioactivity-based weighting strategies for holistic quality assessment. Focusing on the antioxidant properties of <em>C. fraxini</em>, we established a high-performance liquid chromatography (HPLC) fingerprint profile to quantify four key bioactive components (esculin, fraxin, esculetin, and fraxetin) and evaluated their antioxidant capacities via 1,1-diphenyl-2-picrylhydrazyl (DPPH) and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) radical-scavenging assays. The ECI framework revealed significant variability in antioxidant potential across 38 batches, with batches S13, S16, and S11 exhibiting the highest DPPH- and ABTS-based ECI values, while S10, S35, and S14 consistently ranked lowest. Validation experiments confirmed a strong correlation between calculated ECI values and experimentally determined antioxidant activities, although certain batches (<em>e.g.</em>, S11, S13, S15, S16) demonstrated higher measured bioactivity than predicted. This study successfully bridges chemical composition with therapeutic efficacy by establishing concentration–effect relationships for active constituents, offering a robust and innovative tool for advancing quality control paradigms in herbal medicine. The ECI model provides a scientific foundation for optimizing the safety, efficacy, and standardization of TCM.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 11","pages":"Article 100593"},"PeriodicalIF":1.3,"publicationDate":"2025-07-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145334702","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}
Pub Date : 2025-07-06DOI: 10.1016/j.cjac.2025.100590
Jiayu ZOU , Yunxin ZHU , Ning YANG , Delin XU , Juanjuan ZHAO
Tumors continue to pose a significant threat to human health and quality of life, underscoring the need for more affordable, safer, and more effective treatment options. In recent years, Chinese herbal medicine (CHM) has garnered significant attention from researchers and the pharmaceutical industry due to its advantages, including multi-target effects, mild adverse reactions, low cost, and abundant resources for tumor treatment. Moreover, the combination of CHM with chemotherapy agents holds promise for overcoming drug resistance and alleviating the adverse effects associated with conventional treatments. This review systematically examines the academic literature documenting the anti-tumor activity of CHM. It summarizes the key medicinal components exhibiting anti-tumor activity in these CHM, elucidates their pharmacological mechanisms and pharmacokinetic characteristics, and provides a critical evaluation of the current challenges and future research directions within this field. The findings may serve as a critical reference for identifying anti-tumor bioactive compounds within CHM and for developing novel anti-tumor agents.
{"title":"Pharmacological mechanisms and pharmacokinetic analysis of anti-tumor components in Chinese herbal medicine","authors":"Jiayu ZOU , Yunxin ZHU , Ning YANG , Delin XU , Juanjuan ZHAO","doi":"10.1016/j.cjac.2025.100590","DOIUrl":"10.1016/j.cjac.2025.100590","url":null,"abstract":"<div><div>Tumors continue to pose a significant threat to human health and quality of life, underscoring the need for more affordable, safer, and more effective treatment options. In recent years, Chinese herbal medicine (CHM) has garnered significant attention from researchers and the pharmaceutical industry due to its advantages, including multi-target effects, mild adverse reactions, low cost, and abundant resources for tumor treatment. Moreover, the combination of CHM with chemotherapy agents holds promise for overcoming drug resistance and alleviating the adverse effects associated with conventional treatments. This review systematically examines the academic literature documenting the anti-tumor activity of CHM. It summarizes the key medicinal components exhibiting anti-tumor activity in these CHM, elucidates their pharmacological mechanisms and pharmacokinetic characteristics, and provides a critical evaluation of the current challenges and future research directions within this field. The findings may serve as a critical reference for identifying anti-tumor bioactive compounds within CHM and for developing novel anti-tumor agents.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 9","pages":"Article 100590"},"PeriodicalIF":1.3,"publicationDate":"2025-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144878169","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}
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