Pub Date : 2025-10-01Epub Date: 2025-06-27DOI: 10.1016/j.cjac.2025.100583
Yuyu Liang , Xiang Xie , Qingye Zhou , Shufeng Zhao , Xiang Li , Chenchen Yuan , Zeng Huang , Jun Tu , Xingliang Li
Both tri-n‑butyl phosphate and di(1-methylheptyl) methylphosphonate demonstrate exceptional extraction capabilities for 233U from irradiated thorium. While extensive literature exists regarding tri-n‑butyl phosphate-based extraction systems, comparative studies on di(1-methylheptyl) methylphosphonate remain notably limited. This systematic investigation provides a parallel comparison of the chemical behaviors between these two extractants under identical experimental conditions. Results reveal that the di(1-methylheptyl) methylphosphonate system exhibits enhanced hydrophobicity relative to tri-n‑butyl phosphate, correlating with reduced water co-extraction during the uranium recovery process. Raman spectroscopic analysis demonstrated about ∼30 cm–1 shifts in the uranyl symmetric stretching vibration for di(1-methylheptyl) methylphosphonate complexes compared to ∼15 cm–1 shifts of tri-n‑butyl phosphate complexes. This significant spectral displacement indicates stronger coordination bonding between phosphoryl oxygen of di(1-methylheptyl) methylphosphonate and uranyl ions. Isothermal titration calorimetry measurements quantified the extraction thermodynamics, yielding enthalpy changes of -12.83 kJ/mol and -11.32 kJ/mol for tri-n‑butyl phosphate and di(1-methylheptyl) methylphosphonate systems, respectively. Di(1-methylheptyl) methylphosphonate exhibits marginally less exothermic enthalpy despite its superior extraction efficiency. The counterintuitive observation suggests distinct thermodynamic compensation mechanisms. This likely involves more favorable entropy contributions in the di(1-methylheptyl) methylphosphonate extraction system and greater energy consumption during desolvation. This comprehensive comparison clarifies fundamental differences in extraction mechanisms between tri-n‑butyl phosphate and di(1-methylheptyl) methylphosphonate extractants, providing critical thermodynamic parameters for optimizing 233U recovery processes.
{"title":"Extraction of uranium (VI) with neutral organic phosphorus extractants: A calorimetric and spectroscopic comparison of di(1-methylheptyl) methylphosphonate vs. tri-n-butylphosphate","authors":"Yuyu Liang , Xiang Xie , Qingye Zhou , Shufeng Zhao , Xiang Li , Chenchen Yuan , Zeng Huang , Jun Tu , Xingliang Li","doi":"10.1016/j.cjac.2025.100583","DOIUrl":"10.1016/j.cjac.2025.100583","url":null,"abstract":"<div><div>Both tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate demonstrate exceptional extraction capabilities for <sup>233</sup>U from irradiated thorium. While extensive literature exists regarding tri-<em>n</em>‑butyl phosphate-based extraction systems, comparative studies on di(1-methylheptyl) methylphosphonate remain notably limited. This systematic investigation provides a parallel comparison of the chemical behaviors between these two extractants under identical experimental conditions. Results reveal that the di(1-methylheptyl) methylphosphonate system exhibits enhanced hydrophobicity relative to tri-<em>n</em>‑butyl phosphate, correlating with reduced water co-extraction during the uranium recovery process. Raman spectroscopic analysis demonstrated about ∼30 cm<sup>–1</sup> shifts in the uranyl symmetric stretching vibration for di(1-methylheptyl) methylphosphonate complexes compared to ∼15 cm<sup>–1</sup> shifts of tri-<em>n</em>‑butyl phosphate complexes. This significant spectral displacement indicates stronger coordination bonding between phosphoryl oxygen of di(1-methylheptyl) methylphosphonate and uranyl ions. Isothermal titration calorimetry measurements quantified the extraction thermodynamics, yielding enthalpy changes of -12.83 kJ/mol and -11.32 kJ/mol for tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate systems, respectively. Di(1-methylheptyl) methylphosphonate exhibits marginally less exothermic enthalpy despite its superior extraction efficiency. The counterintuitive observation suggests distinct thermodynamic compensation mechanisms. This likely involves more favorable entropy contributions in the di(1-methylheptyl) methylphosphonate extraction system and greater energy consumption during desolvation. This comprehensive comparison clarifies fundamental differences in extraction mechanisms between tri-<em>n</em>‑butyl phosphate and di(1-methylheptyl) methylphosphonate extractants, providing critical thermodynamic parameters for optimizing <sup>233</sup>U recovery processes.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100583"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144904178","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-01Epub Date: 2025-07-06DOI: 10.1016/j.cjac.2025.100586
Asseel AA. Al-naemi , Abbas Ali Salih Al-Hamdani , Susan Duraid Ahmed , Muhammad Fazle Rabbee , Nokeun Park , Wail Al Zoubi
In this study, the new azo dye,5,5-[1,2-phenylenebis(2,1-biazenediyl)] bis[8-quinolino], was used to synthesize complexes with Co2+, Ni2+, Cu2+, Zn2+, and Cd2+ ions. The compounds were characterized using 1H and 13C nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, mass spectrometry, thermo gravimetric analysis (TGA), diffevential scanning calovimltry (DSC), CHN analysis. Further, conductivity, magnetic susceptibility, and metal and chlorine content analysis using FT-IR spectroscopy revealed that the ligand chelates as a bidentate (OH) phenol group and a bidentate (CN) ring group. The ligand exhibited tetradentate behavior, forming tetrahedral complexes. Except for Co and Ni complexes,whichare octahedral, all of them are non-electrolytes. Air-stable complexes with distinct octahedral moieties were created in a 2:1 metal:ligand molar ratio. The effectiveness of both the compounds in inhibiting free radicals was evaluatedbased on their ability to act as antioxidants was assessed using 2,2-diphenyl-1-picrylhydrazyl (DPPH) as a free radical and gallic acid as a standard substance. The IC50 value indicated that the ligand had higher free radical inhibition ability, and the ability to inhibit the compoundsvaried.The ligand and complexes with Co2+, Cu2+, and Zn2+ were tested against Escherichia coli, Bacillus spp, Penicillium, Aspergillus niger, Fusarium, and Trichoderma at two concentrations, showing varying inhibitory effects on bacterial and fungal growth compared to the control.
{"title":"Synthesis, characterization, antioxidant and bioactivity assessment, and thermodynamic analysis of metal ion complexes using a novel azo dye","authors":"Asseel AA. Al-naemi , Abbas Ali Salih Al-Hamdani , Susan Duraid Ahmed , Muhammad Fazle Rabbee , Nokeun Park , Wail Al Zoubi","doi":"10.1016/j.cjac.2025.100586","DOIUrl":"10.1016/j.cjac.2025.100586","url":null,"abstract":"<div><div>In this study, the new azo dye,5,5-[1,2-phenylenebis(2,1-biazenediyl)] bis[8-quinolino], was used to synthesize complexes with Co<sup>2+</sup>, Ni<sup>2+</sup>, Cu<sup>2+</sup>, Zn<sup>2+</sup>, and Cd<sup>2+</sup> ions. The compounds were characterized using <sup>1</sup>H and <sup>13</sup>C nuclear magnetic resonance (NMR) spectroscopy, Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, mass spectrometry, thermo gravimetric analysis (TGA), diffevential scanning calovimltry (DSC), CHN analysis. Further, conductivity, magnetic susceptibility, and metal and chlorine content analysis using FT-IR spectroscopy revealed that the ligand chelates as a bidentate (OH) phenol group and a bidentate (C<img>N) ring group. The ligand exhibited tetradentate behavior, forming tetrahedral complexes. Except for Co and Ni complexes,whichare octahedral, all of them are non-electrolytes. Air-stable complexes with distinct octahedral moieties were created in a 2:1 metal:ligand molar ratio. The effectiveness of both the compounds in inhibiting free radicals was evaluatedbased on their ability to act as antioxidants was assessed using 2,2-diphenyl-1-picrylhydrazyl (DPPH) as a free radical and gallic acid as a standard substance. The IC<sub>50</sub> value indicated that the ligand had higher free radical inhibition ability, and the ability to inhibit the compoundsvaried.The ligand and complexes with Co<sup>2+</sup>, Cu<sup>2+</sup>, and Zn<sup>2+</sup> were tested against <em>Escherichia coli, Bacillus spp, Penicillium, Aspergillus niger, Fusarium, and Trichoderma</em> at two concentrations, showing varying inhibitory effects on bacterial and fungal growth compared to the control.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100586"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144912444","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 : 2025-10-01Epub Date: 2025-07-05DOI: 10.1016/j.cjac.2025.100587
Yunpeng BAI , Yichun JIANG , Zhenmi LIU , Ting LIU , Silin LIANG , Feng WANG , Lang ZHANG , Xin LIU , Linhui HU , Chunbo CHEN
Cardiac surgery-associated acute kidney injury (CSA-AKI) may be related to an increase in mortality in patients in the intensive care unit; therefore, developing potential candidate molecule is particularly important for disease prediction and early diagnosis. This exploratory study investigated the alteration of the plasma metabolome profiles and possible links with the urinary metabolome in six patients with CSA-AKI at different time points, which could screen out the differential plasma metabolites for statistical analysis and altered metabolic pathways. After performing receiver operating characteristic analysis to obtain potential candidate molecules, the differential plasma metabolites with Level 1 were used for correlation analysis with the urinary metabolome. The plasma metabolome of the AKI group could be clearly separated from that of the uninjured kidney or recovered groups, but the plasma samples from recovered and uninjured groups could not be distinguished using statistical analysis. Compared with the uninjured kidney group, significant changes in the plasma metabolome were observed in such patients with CSA-AKI, especially regarding amino acid metabolism, spermidine and spermine biosynthesis, and sulfate/sulfite metabolism. The potential candidate molecules in the plasma metabolome, such as carnitines, exhibited a significantly positive correlation, while carnitines and organic acids in the plasma were involved in the correlation with the urinary metabolome. Plasma metabolic disorders were observed when CSA-AKI occurred, and the systemic status of recovered patients returned to normal after treatment. This exploratory investigation suggests potential candidate molecules in plasma and possible links to the urinary metabolome in CSA-AKI.
{"title":"Alterations in plasma metabolome and correlation with urinary metabolome in cardiac surgery-associated acute kidney injury using ultra high-performance liquid chromatography-high resolution mass spectrometry","authors":"Yunpeng BAI , Yichun JIANG , Zhenmi LIU , Ting LIU , Silin LIANG , Feng WANG , Lang ZHANG , Xin LIU , Linhui HU , Chunbo CHEN","doi":"10.1016/j.cjac.2025.100587","DOIUrl":"10.1016/j.cjac.2025.100587","url":null,"abstract":"<div><div>Cardiac surgery-associated acute kidney injury (CSA-AKI) may be related to an increase in mortality in patients in the intensive care unit; therefore, developing potential candidate molecule is particularly important for disease prediction and early diagnosis. This exploratory study investigated the alteration of the plasma metabolome profiles and possible links with the urinary metabolome in six patients with CSA-AKI at different time points, which could screen out the differential plasma metabolites for statistical analysis and altered metabolic pathways. After performing receiver operating characteristic analysis to obtain potential candidate molecules, the differential plasma metabolites with Level 1 were used for correlation analysis with the urinary metabolome. The plasma metabolome of the AKI group could be clearly separated from that of the uninjured kidney or recovered groups, but the plasma samples from recovered and uninjured groups could not be distinguished using statistical analysis. Compared with the uninjured kidney group, significant changes in the plasma metabolome were observed in such patients with CSA-AKI, especially regarding amino acid metabolism, spermidine and spermine biosynthesis, and sulfate/sulfite metabolism. The potential candidate molecules in the plasma metabolome, such as carnitines, exhibited a significantly positive correlation, while carnitines and organic acids in the plasma were involved in the correlation with the urinary metabolome. Plasma metabolic disorders were observed when CSA-AKI occurred, and the systemic status of recovered patients returned to normal after treatment. This exploratory investigation suggests potential candidate molecules in plasma and possible links to the urinary metabolome in CSA-AKI.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100587"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145095491","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
• DES-1 (choline chloride/ethylene glycol) combined with ultrasound-assisted extraction (UAE) achieved significantly higher yields (1.5- to 2-fold) of key flavonoids (rutin, genistein, sophoricoside) from Sophorae fructus compared to conventional 70% ethanol. • Response surface methodology established optimal DES-UAE conditions (1:5 molar ratio, 30% water, 35 mL/g, 53 min, 55°C), providing an efficient and environmentally friendly alternative for flavonoid extraction. • The DES-UAE extract demonstrated significantly stronger antioxidant activity in DPPH, ABTS, superoxide anion, and FRAP assays compared to the 70% ethanol extract, highlighting the bioactivity benefits of this extraction method. Sophorae fructus (SF) berries (derived from Styphnolobium japonicum (L.) Schott fruits) contain abundant flavonoids such as sophoricoside, which show antioxidant activity. Here, we combine a deep eutectic solvent (DES) and ultrasonic-assisted extraction to extract flavonoid compounds from SF. Six DESs prepared by combining choline chloride (hydrogen bond acceptor) and polyols (hydrogen bond donors) have been screened and compared with 70% ethanol solvent. Optimal conditions for SF flavonoid extraction using DESs are assessed through single-factor experiments and the response surface methodology approach. The contents of three flavonoid components, namely rutin, genistein, and sophoricoside, in SF are quantified by high-performance liquid chromatography-diode array detector. The antioxidant activity of the extracted SF flavonoids is confirmed through different assays. Among all DESs, DES-1 (choline chloride/ethylene glycol) shows the highest extraction rate, and this rate is remarkably higher than that of the 70% ethanol solvent. After process standardization, the following optimal conditions are obtained: molar ratio, 1:5; water content, 30%; liquid-to-solid ratio, 35 mL/g; ultrasonication time, 53 min; and ultrasonication temperature, 55°C. By using these experimental settings, we obtain the following highest extraction rates for rutin, genistein, and sophoricoside: 2.20% ± 0.067%, 0.53% ± 0.010%, and 14.46% ± 0.227%, respectively; these rates are 1.5- to 2-fold higher than those achieved using the 70% ethanol solvent. Moreover, the DES-UAE-derived extract shows stronger antioxidant activity than the 70% ethanol extract. The antioxidant activity levels of the DES-UAE-derived extract quantified by DPPH, ABTS, superoxide anion, and FRAP assays are 60.71%, 100%, 99.59%, and 200.77 μmol/mL, respectively, which are higher than those of the 70% ethanol extract (52.76%, 92.45%, 87.25%, and 185.73 μmol/mL, respectively) measured by these methods. Thus, this study reports an efficient and ecofriendly process for extracting SF flavonoids, facilitating the development of innovative treatment approaches by utilizing natural plant products.
{"title":"Deep Eutectic Solvent-Based Ultrasonic-Assisted Extraction of Three Antioxidant Flavonoids from Sophorae Fructus: Optimization, Quantification, and Activity Evaluation","authors":"Ya-Feng Zuo, Cheng Wang, Qian Zhang, Meng-Hu Wang, Tonghui Shan, Cancan Wang, Jincai Li, Deling Wu","doi":"10.1016/j.cjac.2025.100659","DOIUrl":"https://doi.org/10.1016/j.cjac.2025.100659","url":null,"abstract":"• DES-1 (choline chloride/ethylene glycol) combined with ultrasound-assisted extraction (UAE) achieved significantly higher yields (1.5- to 2-fold) of key flavonoids (rutin, genistein, sophoricoside) from Sophorae fructus compared to conventional 70% ethanol. • Response surface methodology established optimal DES-UAE conditions (1:5 molar ratio, 30% water, 35 mL/g, 53 min, 55°C), providing an efficient and environmentally friendly alternative for flavonoid extraction. • The DES-UAE extract demonstrated significantly stronger antioxidant activity in DPPH, ABTS, superoxide anion, and FRAP assays compared to the 70% ethanol extract, highlighting the bioactivity benefits of this extraction method. Sophorae fructus (SF) berries (derived from Styphnolobium japonicum (L.) Schott fruits) contain abundant flavonoids such as sophoricoside, which show antioxidant activity. Here, we combine a deep eutectic solvent (DES) and ultrasonic-assisted extraction to extract flavonoid compounds from SF. Six DESs prepared by combining choline chloride (hydrogen bond acceptor) and polyols (hydrogen bond donors) have been screened and compared with 70% ethanol solvent. Optimal conditions for SF flavonoid extraction using DESs are assessed through single-factor experiments and the response surface methodology approach. The contents of three flavonoid components, namely rutin, genistein, and sophoricoside, in SF are quantified by high-performance liquid chromatography-diode array detector. The antioxidant activity of the extracted SF flavonoids is confirmed through different assays. Among all DESs, DES-1 (choline chloride/ethylene glycol) shows the highest extraction rate, and this rate is remarkably higher than that of the 70% ethanol solvent. After process standardization, the following optimal conditions are obtained: molar ratio, 1:5; water content, 30%; liquid-to-solid ratio, 35 mL/g; ultrasonication time, 53 min; and ultrasonication temperature, 55°C. By using these experimental settings, we obtain the following highest extraction rates for rutin, genistein, and sophoricoside: 2.20% ± 0.067%, 0.53% ± 0.010%, and 14.46% ± 0.227%, respectively; these rates are 1.5- to 2-fold higher than those achieved using the 70% ethanol solvent. Moreover, the DES-UAE-derived extract shows stronger antioxidant activity than the 70% ethanol extract. The antioxidant activity levels of the DES-UAE-derived extract quantified by DPPH, ABTS, superoxide anion, and FRAP assays are 60.71%, 100%, 99.59%, and 200.77 μmol/mL, respectively, which are higher than those of the 70% ethanol extract (52.76%, 92.45%, 87.25%, and 185.73 μmol/mL, respectively) measured by these methods. Thus, this study reports an efficient and ecofriendly process for extracting SF flavonoids, facilitating the development of innovative treatment approaches by utilizing natural plant products.","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"1 1","pages":"100659-100659"},"PeriodicalIF":0.0,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147332748","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}
Pub Date : 2025-10-01Epub Date: 2025-06-21DOI: 10.1016/j.cjac.2025.100580
Chenjing Fan , Yushi Liu , Xiushuang Fan , Hua Zhang , Chao Peng , Jiangtao Ren , Erkang Wang
Early screening of serious diseases can significantly improve survival rates and quality of life, and potable and user-friendly analytical devices are conducive to point-of-care testing (POCT). In this study, a lateral flow assay (LFA) for colorimetric analysis of a significant early cancer biomarker, vascular endothelial growth factor 165 (VEGF165), was designed based on an “antibody-VEGF165-aptamer” sandwiched structure. The aptamer for VEGF165 was introduced to overcome the bottleneck, namely, high cost and limited types of antibodies of VEGF165. In addition, the sensitivity was substantially increased by cascading an in-situ gold growth-mediated signal amplification strategy (ISGGS), and as low as 0.12 ng/mL VEGF165 can be detected. Based on the universal LFA-ISGGS principle, test strips were fabricated for detecting another biomarker (cardiac troponin I, cTnI). Moreover, one test strip with dual detection channels was successfully obtained for simultaneous detection of VEGF165 and cTnI, further confirming the universality of our LFA-ISGGS platform, and indicating that the platform holds great potential for bed diagnosis of serious diseases in the future.
{"title":"Aptamer/antibody-based and amplified lateral flow assays for detection of vascular endothelial growth factor 165","authors":"Chenjing Fan , Yushi Liu , Xiushuang Fan , Hua Zhang , Chao Peng , Jiangtao Ren , Erkang Wang","doi":"10.1016/j.cjac.2025.100580","DOIUrl":"10.1016/j.cjac.2025.100580","url":null,"abstract":"<div><div>Early screening of serious diseases can significantly improve survival rates and quality of life, and potable and user-friendly analytical devices are conducive to point-of-care testing (POCT). In this study, a lateral flow assay (LFA) for colorimetric analysis of a significant early cancer biomarker, vascular endothelial growth factor 165 (VEGF165), was designed based on an “antibody-VEGF165-aptamer” sandwiched structure. The aptamer for VEGF165 was introduced to overcome the bottleneck, namely, high cost and limited types of antibodies of VEGF165. In addition, the sensitivity was substantially increased by cascading an in-situ gold growth-mediated signal amplification strategy (ISGGS), and as low as 0.12 ng/mL VEGF165 can be detected. Based on the universal LFA-ISGGS principle, test strips were fabricated for detecting another biomarker (cardiac troponin I, cTnI). Moreover, one test strip with dual detection channels was successfully obtained for simultaneous detection of VEGF165 and cTnI, further confirming the universality of our LFA-ISGGS platform, and indicating that the platform holds great potential for bed diagnosis of serious diseases in the future.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100580"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144890587","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-10-01Epub 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":"2025-10-01","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 : 2025-10-01Epub 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":"2025-10-01","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 : 2025-10-01Epub Date: 2025-09-02DOI: 10.1016/j.cjac.2025.100620
DU Qing
The key active ingredients of Chinese medicinal materials are often used as indicators in quality standards. Corydalis conspersa is a characteristic plant from the Qinghai-Tibet plateau and contains various of isoquinoline alkaloids. Water content was determinated from diverse parts of Corydalis conspersa according to the Chinese Pharmacopoeia. The component of coptisine and berberine hydrochloride in Corydalis conspersa were extracted using the solvent of methanol-hydrochloric acid and detected by high-performance liquid chromatography. The results of method validation test was stable and reliable. The content of coptisine and berberine hydrochloride in root samples was higher than in herbs. In the sample solutions of stem and leaf, only coptisine was detectable. Thus, the levels of coptisine and berberine hydrochloride in root and herbs can serve as a qualified basis for quality standards of Corydalis conspersa.
{"title":"Quantitative determination of coptisine and berberine hydrochloride in Corydalis conspersa by high-performance liquid chromatography and quality evaluation","authors":"DU Qing","doi":"10.1016/j.cjac.2025.100620","DOIUrl":"10.1016/j.cjac.2025.100620","url":null,"abstract":"<div><div>The key active ingredients of Chinese medicinal materials are often used as indicators in quality standards. <em>Corydalis conspersa</em> is a characteristic plant from the Qinghai-Tibet plateau and contains various of isoquinoline alkaloids. Water content was determinated from diverse parts of <em>Corydalis conspersa</em> according to the Chinese Pharmacopoeia. The component of coptisine and berberine hydrochloride in <em>Corydalis conspersa</em> were extracted using the solvent of methanol-hydrochloric acid and detected by high-performance liquid chromatography. The results of method validation test was stable and reliable. The content of coptisine and berberine hydrochloride in root samples was higher than in herbs. In the sample solutions of stem and leaf, only coptisine was detectable. Thus, the levels of coptisine and berberine hydrochloride in root and herbs can serve as a qualified basis for quality standards of <em>Corydalis conspersa</em>.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100620"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145216296","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 : 2025-10-01Epub 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":"2025-10-01","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 : 2025-10-01Epub Date: 2025-06-24DOI: 10.1016/j.cjac.2025.100581
Ning Yang , Yi Liu , Jiannan Li , Meiqi Wang , Dongxin Wang , Zhuo Liu
Gastric perforation, which may be caused by damage to the gastric epithelium, can lead to the entry of food or gastric acid in the stomach into the peritoneum, causing diseases such as peritonitis and sepsis. In severe cases, it can lead to septic shock and pose a threat to life. Developing and preparing a material that has adhesiveness in a wet environment such as the surface of the stomach is a challenge. Therefore, we have successfully prepared a hydrogel membrane with wet adhesiveness. This hydrogel membrane is composed of glutaraldehyde-crosslinked polyvinyl alcohol (PVA) hydrogel modified by 3,4-dihydroxyphenylalanine (DOPA). The side chains of PVA molecules modified with DOPA achieve wet adhesion through the formation of hydrogen bonds between the catechol groups and the surface of the tissue substrate. It is used for suture-free repair of damaged gastric epithelium. According to the results of mechanical experiments, its wet adhesion lap shear strength to gastric tissue reaches 34.8 kPa, and the peeling strength reaches 24.5 kPa. The results of in vitro cell experiments show that the hydrogel has good biocompatibility. The hydrogel prepared by this simple method demonstrates adaptability to the gastric environment, making it promising for applications in gastric wound repair.
{"title":"Catechol-modified wet-adhesive hydrogel for the repair of the gastric epithelium","authors":"Ning Yang , Yi Liu , Jiannan Li , Meiqi Wang , Dongxin Wang , Zhuo Liu","doi":"10.1016/j.cjac.2025.100581","DOIUrl":"10.1016/j.cjac.2025.100581","url":null,"abstract":"<div><div>Gastric perforation, which may be caused by damage to the gastric epithelium, can lead to the entry of food or gastric acid in the stomach into the peritoneum, causing diseases such as peritonitis and sepsis. In severe cases, it can lead to septic shock and pose a threat to life. Developing and preparing a material that has adhesiveness in a wet environment such as the surface of the stomach is a challenge. Therefore, we have successfully prepared a hydrogel membrane with wet adhesiveness. This hydrogel membrane is composed of glutaraldehyde-crosslinked polyvinyl alcohol (PVA) hydrogel modified by 3,4-dihydroxyphenylalanine (DOPA). The side chains of PVA molecules modified with DOPA achieve wet adhesion through the formation of hydrogen bonds between the catechol groups and the surface of the tissue substrate. It is used for suture-free repair of damaged gastric epithelium. According to the results of mechanical experiments, its wet adhesion lap shear strength to gastric tissue reaches 34.8 kPa, and the peeling strength reaches 24.5 kPa. The results of <em>in vitro</em> cell experiments show that the hydrogel has good biocompatibility. The hydrogel prepared by this simple method demonstrates adaptability to the gastric environment, making it promising for applications in gastric wound repair.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 10","pages":"Article 100581"},"PeriodicalIF":1.3,"publicationDate":"2025-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144890588","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号