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Simultaneous qualitative and quantitative analysis to explore the material basis for different formulations of Dachengqi decoction to produce different efficacy by UPLC-QTOF-MS and UFLC-QQQ-MS
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 DOI: 10.1016/j.cjac.2024.100488
Hai-Zhen LI , Yan LOU , Ying-Ying SHU , Wan-Ting JIN , Xiao-Xuan YAO , Jie SONG , Yin-Fang CHEN , Bin NIE
Dachengqi Decoction (DCQD) is a well-known prescription of catharsis in “Shang Han Lun”, composed of 4 traditional Chinese medical ingredients: Radix et Rhizoma Rhei (Dahuang), Cortex Magnoliae officinalis (Houpo), Fructus Aurantii Immaturus (Zhishi) and Natrii Sulfas (Mangxiao). Due to the complexity of its composition and inconsistencies in the traditional decocting process, maintaining the quality and exploring the material basis for efficacy of DCQD are challenging. In this study, we established an integrating ultra-high-performance liquid chromatography equipped with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and ultra-fast-performance liquid chromatography equipped with triple quadrupole mass spectrometry (UFLC-QQQ-MS) method to perform qualitative and quantitative analyses of different DCQD formulations. The methods of quality control and content detection of the main components of different formulations were improved by optimizing the parameters of mobile phase composition, gradient and velocity. By optimizing of the method, the separation ability of structurally similar substances such as aloe-emodin, emodin and Apigenin is greatly improved. As a result, in the qualitative analysis, 190 components were detected of which 27 compounds were unambiguously identified by comparison with reference compounds by chromatographic behavior and mass spectrum, and the remaining compounds were tentatively assigned by comparison with fragmentation pathways and characteristic fragment ions in published literature or known databases. In the quantitative analysis, the contents of 19 key ingredients across 10 formulations were determined. The results showed that some components were roughly distributed according to the proportion of Chinese herbs, such as rhein, gallic acid, physcion, hesperetin and limonin. However, the distribution of most components differed greatly from that of Chinese herbs, such as emodin, hesperidin, synephrine and honokiol, producing solubilization effect or inhibition of dissolution effect, which could explainned the varied effects of different formulations in treating conditions like intestinal obstruction and pancreatitis. This study provides a simple, fast and accurate method to identify and quantify the main components in DCQD, and makes preparations for exploring the mechanism of different formulations of DCQD to produce different efficacy in gastrointestinal disease.
{"title":"Simultaneous qualitative and quantitative analysis to explore the material basis for different formulations of Dachengqi decoction to produce different efficacy by UPLC-QTOF-MS and UFLC-QQQ-MS","authors":"Hai-Zhen LI ,&nbsp;Yan LOU ,&nbsp;Ying-Ying SHU ,&nbsp;Wan-Ting JIN ,&nbsp;Xiao-Xuan YAO ,&nbsp;Jie SONG ,&nbsp;Yin-Fang CHEN ,&nbsp;Bin NIE","doi":"10.1016/j.cjac.2024.100488","DOIUrl":"10.1016/j.cjac.2024.100488","url":null,"abstract":"<div><div>Dachengqi Decoction (DCQD) is a well-known prescription of catharsis in “Shang Han Lun”, composed of 4 traditional Chinese medical ingredients: Radix et Rhizoma Rhei (Dahuang), Cortex Magnoliae officinalis (Houpo), Fructus Aurantii Immaturus (Zhishi) and Natrii Sulfas (Mangxiao). Due to the complexity of its composition and inconsistencies in the traditional decocting process, maintaining the quality and exploring the material basis for efficacy of DCQD are challenging. In this study, we established an integrating ultra-high-performance liquid chromatography equipped with quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and ultra-fast-performance liquid chromatography equipped with triple quadrupole mass spectrometry (UFLC-QQQ-MS) method to perform qualitative and quantitative analyses of different DCQD formulations. The methods of quality control and content detection of the main components of different formulations were improved by optimizing the parameters of mobile phase composition, gradient and velocity. By optimizing of the method, the separation ability of structurally similar substances such as aloe-emodin, emodin and Apigenin is greatly improved. As a result, in the qualitative analysis, 190 components were detected of which 27 compounds were unambiguously identified by comparison with reference compounds by chromatographic behavior and mass spectrum, and the remaining compounds were tentatively assigned by comparison with fragmentation pathways and characteristic fragment ions in published literature or known databases. In the quantitative analysis, the contents of 19 key ingredients across 10 formulations were determined. The results showed that some components were roughly distributed according to the proportion of Chinese herbs, such as rhein, gallic acid, physcion, hesperetin and limonin. However, the distribution of most components differed greatly from that of Chinese herbs, such as emodin, hesperidin, synephrine and honokiol, producing solubilization effect or inhibition of dissolution effect, which could explainned the varied effects of different formulations in treating conditions like intestinal obstruction and pancreatitis. This study provides a simple, fast and accurate method to identify and quantify the main components in DCQD, and makes preparations for exploring the mechanism of different formulations of DCQD to produce different efficacy in gastrointestinal disease.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 2","pages":"Article 100488"},"PeriodicalIF":1.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140432","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}
引用次数: 0
Crossed-linked chitosan coated cuprous oxide microspheres for iodide adsorption via one-step in-situ generation
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 DOI: 10.1016/j.cjac.2024.100487
Min LI , Qing LI , Lijie LI , Zixuan XU , Jie AN , Gaohong HE , Zhifang WU , Sijin LI , Wenjun ZHANG
Radioactive iodine waste generated from nuclear power and radioactive medical treatments has become a serious environmental issue, raising concerns about public health. Cross-linked chitosan adsorbed iodide anions through electrostatic attraction yet limit-efficiently. To achieve better adsorption performance, chitosan-coated cuprous oxide microspheres (Cu2O@CM) was proposed via one-step in-situ liquid-phase method. Both Cu2O@CM-e cross-linked with epichlorohydrin and Cu2O@CM-g cross-linked with glutaraldehyde, performing rough and spherical morphology, exhibited rapid iodine removal capacities of 0.1843 mmol/g for Cu2O@CM-e and 0.1819 mmol/g for Cu2O@CM-g within just 10 min. The adsorption process occurred through a combination of physical multilayer adsorption and chemical monolayer adsorption, driven spontaneously and endothermically. After four regeneration cycles, Cu2O@CM-e and Cu2O@CM-g maintained almost identical adsorption efficiencies, highlighting their reusability. Considering the interference of Cl and CO32–, both adsorbents showed significant selectivity towards competing ions. Thus, both adsorbents showed promising potential for the removal of iodine waste
{"title":"Crossed-linked chitosan coated cuprous oxide microspheres for iodide adsorption via one-step in-situ generation","authors":"Min LI ,&nbsp;Qing LI ,&nbsp;Lijie LI ,&nbsp;Zixuan XU ,&nbsp;Jie AN ,&nbsp;Gaohong HE ,&nbsp;Zhifang WU ,&nbsp;Sijin LI ,&nbsp;Wenjun ZHANG","doi":"10.1016/j.cjac.2024.100487","DOIUrl":"10.1016/j.cjac.2024.100487","url":null,"abstract":"<div><div>Radioactive iodine waste generated from nuclear power and radioactive medical treatments has become a serious environmental issue, raising concerns about public health. Cross-linked chitosan adsorbed iodide anions through electrostatic attraction yet limit-efficiently. To achieve better adsorption performance, chitosan-coated cuprous oxide microspheres (Cu<sub>2</sub>O@CM) was proposed via one-step in-situ liquid-phase method. Both Cu<sub>2</sub>O@CM-e cross-linked with epichlorohydrin and Cu<sub>2</sub>O@CM-g cross-linked with glutaraldehyde, performing rough and spherical morphology, exhibited rapid iodine removal capacities of 0.1843 mmol/g for Cu<sub>2</sub>O@CM-e and 0.1819 mmol/g for Cu<sub>2</sub>O@CM-g within just 10 min. The adsorption process occurred through a combination of physical multilayer adsorption and chemical monolayer adsorption, driven spontaneously and endothermically. After four regeneration cycles, Cu<sub>2</sub>O@CM-e and Cu<sub>2</sub>O@CM-g maintained almost identical adsorption efficiencies, highlighting their reusability. Considering the interference of Cl<sup>–</sup> and CO<sub>3</sub><sup>2–</sup>, both adsorbents showed significant selectivity towards competing ions. Thus, both adsorbents showed promising potential for the removal of iodine waste</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 2","pages":"Article 100487"},"PeriodicalIF":1.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140502","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}
引用次数: 0
Qiyu Granules ameliorate insulin resistance via modulating PI3K/AKT/FoxO1 pathway and AMPK/PPARγ pathway in diabetic KKAy mice
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 DOI: 10.1016/j.cjac.2024.100489
Xiaoxu FAN , Jiaqi LIU , Jian HUA, Zhen WANG, Yiwei SHEN, Danyue SHAO, Zhenhui JIN, Jingxia WANG

Objective

To investigate the protective effect and mechanism of Qiyu Granules in alleviating insulin resistance in KKAy mice.

Methods

The chemical ingredients of Qiyu Granules were analyzed using ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Network pharmacology and animal experiments were used to verify the pharmacological effects of Qiyu Granules in alleviating insulin resistance in diabetic KKAy mice and to explore its mechanism of action. High-sugar, high-fat chow was fed to KKAy mice for modeling. After 12 weeks, indicators of glucose metabolism (FBG, AUC), lipid metabolism (TC, TG, LDL, HDL, FFA), liver function (ALT, AST) and insulin resistance (FINS, HOMA-IR, HOMA-β, ISI) were detected. Pathological changes in pancreatic and liver tissues were observed by hematoxylin-eosin (H&E) and Oil Red O staining. Hepatic glycogen levels were analyzed using enzyme-linked immunosorbent assay (ELISA) method and periodic acid-Schiff (PAS) staining. Western blot was used to detect the protein expression levels of InsR, p-PI3 K, p-AKT, FoxO1, PEPCK, G6pase, p-AMPK, p-GSK-3β, GLUT2, PPARγ and PPARα.

Results

FBG, AUC, HOMA-IR, TC, TG, LDL, FFA, ALT, AST and hepatic index were decreased in mice treated with Qiyu Granules; while FINS, HOMA-β, ISI, HDL and hepatic glycogen content were increased. Qiyu Granules also improved histopathological changes in the pancreas and liver of KKAy mice. Besides, Qiyu Granules up-regulated the expression levels of InsR, p-PI3 K, p-AKT, p-AMPK, GLUT2 and PPARα proteins in the livers of mice in the model group. However, Qiyu Granules down-regulated the expression levels of FoxO1, PEPCK, G6Pase, p-GSK-3β and PPARγ proteins.

Conclusion

Qiyu Granules may regulate the InsR/PI3K/AKT/FoxO1 pathway, AMPK pathway, and PPARγ/PPARα pathway to ameliorate insulin resistance. Therefore, Qiyu Granules is a promising hypoglycaemic agent for the treatment of DM.
{"title":"Qiyu Granules ameliorate insulin resistance via modulating PI3K/AKT/FoxO1 pathway and AMPK/PPARγ pathway in diabetic KKAy mice","authors":"Xiaoxu FAN ,&nbsp;Jiaqi LIU ,&nbsp;Jian HUA,&nbsp;Zhen WANG,&nbsp;Yiwei SHEN,&nbsp;Danyue SHAO,&nbsp;Zhenhui JIN,&nbsp;Jingxia WANG","doi":"10.1016/j.cjac.2024.100489","DOIUrl":"10.1016/j.cjac.2024.100489","url":null,"abstract":"<div><h3>Objective</h3><div>To investigate the protective effect and mechanism of Qiyu Granules in alleviating insulin resistance in KKAy mice.</div></div><div><h3>Methods</h3><div>The chemical ingredients of Qiyu Granules were analyzed using ultra performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS). Network pharmacology and animal experiments were used to verify the pharmacological effects of Qiyu Granules in alleviating insulin resistance in diabetic KKAy mice and to explore its mechanism of action. High-sugar, high-fat chow was fed to KKAy mice for modeling. After 12 weeks, indicators of glucose metabolism (FBG, AUC), lipid metabolism (TC, TG, LDL, HDL, FFA), liver function (ALT, AST) and insulin resistance (FINS, HOMA-IR, HOMA-<em>β</em>, ISI) were detected. Pathological changes in pancreatic and liver tissues were observed by hematoxylin-eosin (H&amp;E) and Oil Red O staining. Hepatic glycogen levels were analyzed using enzyme-linked immunosorbent assay (ELISA) method and periodic acid-Schiff (PAS) staining. Western blot was used to detect the protein expression levels of InsR, p-PI3 K, p-AKT, FoxO1, PEPCK, G6pase, p-AMPK, p-GSK-3β, GLUT2, PPAR<em>γ</em> and PPAR<em>α</em>.</div></div><div><h3>Results</h3><div>FBG, AUC, HOMA-IR, TC, TG, LDL, FFA, ALT, AST and hepatic index were decreased in mice treated with Qiyu Granules; while FINS, HOMA-<em>β</em>, ISI, HDL and hepatic glycogen content were increased. Qiyu Granules also improved histopathological changes in the pancreas and liver of KKAy mice. Besides, Qiyu Granules up-regulated the expression levels of InsR, p-PI3 K, p-AKT, p-AMPK, GLUT2 and PPAR<em>α</em> proteins in the livers of mice in the model group. However, Qiyu Granules down-regulated the expression levels of FoxO1, PEPCK, G6Pase, p-GSK-3<em>β</em> and PPAR<em>γ</em> proteins.</div></div><div><h3>Conclusion</h3><div>Qiyu Granules may regulate the InsR/PI3K/AKT/FoxO1 pathway, AMPK pathway, and PPAR<em>γ</em>/PPAR<em>α</em> pathway to ameliorate insulin resistance. Therefore, Qiyu Granules is a promising hypoglycaemic agent for the treatment of DM.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 2","pages":"Article 100489"},"PeriodicalIF":1.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140429","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}
引用次数: 0
Efficacy and safety analysis of Kaiyu Jiangzhuo Tongzhi prescription for the treatment of pre-diabetic overweight/obese patients: A multicentre randomised controlled clinical study protocol and statistical analysis plan
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 DOI: 10.1016/j.cjac.2024.100468
Xiaoxuan XU , Boxun ZHANG , Xue QU , Dongqi QU , Hang LIU , Wenlin ZHANG , Rui SUN , Linhua ZHAO , Jixiang REN , Ying ZHANG , Yangyang LIU
The Chinese Academy of traditional Chinese medicine (TCM)’s academician Xiaolin Tong developed the Kaiyu Jiangzhuo Tongzhi prescription (KYJZ) in response to prediabetes'’s “yu” mechanism. This study plans to thoroughly evaluate the safety and effectiveness of KYJZ in treating prediabetes and preventing diabetes mellitus. This study is a multicenter, randomized, double-blind, placebo-controlled trial in which 598 patients with pre-diabetes were randomly assigned in a 1:1 ratio to either the KYJZ or the placebo group. The primary outcome was to assess the incidence of diabetes at the end of 48 weeks. Secondary outcomes included the rate of normal conversion to glucose tolerance at the end of 48 weeks, indicators of glucose-fat metabolism, body mass index (BMI), waist circumference (WC), and Diabetes Symptom Rating Scale (DSRS), as well as body composition analysis (BCA) and diabetes risk score (DRS). Record all adverse events that occur and analyze the data collected. The results of this study will provide strong evidence for the efficacy and safety of KYJZ in reducing the incidence of diabetes mellitus in overweight/obese patients with prediabetes.
{"title":"Efficacy and safety analysis of Kaiyu Jiangzhuo Tongzhi prescription for the treatment of pre-diabetic overweight/obese patients: A multicentre randomised controlled clinical study protocol and statistical analysis plan","authors":"Xiaoxuan XU ,&nbsp;Boxun ZHANG ,&nbsp;Xue QU ,&nbsp;Dongqi QU ,&nbsp;Hang LIU ,&nbsp;Wenlin ZHANG ,&nbsp;Rui SUN ,&nbsp;Linhua ZHAO ,&nbsp;Jixiang REN ,&nbsp;Ying ZHANG ,&nbsp;Yangyang LIU","doi":"10.1016/j.cjac.2024.100468","DOIUrl":"10.1016/j.cjac.2024.100468","url":null,"abstract":"<div><div>The Chinese Academy of traditional Chinese medicine (TCM)’s academician Xiaolin Tong developed the Kaiyu Jiangzhuo Tongzhi prescription (KYJZ) in response to prediabetes'’s “yu” mechanism. This study plans to thoroughly evaluate the safety and effectiveness of KYJZ in treating prediabetes and preventing diabetes mellitus. This study is a multicenter, randomized, double-blind, placebo-controlled trial in which 598 patients with pre-diabetes were randomly assigned in a 1:1 ratio to either the KYJZ or the placebo group. The primary outcome was to assess the incidence of diabetes at the end of 48 weeks. Secondary outcomes included the rate of normal conversion to glucose tolerance at the end of 48 weeks, indicators of glucose-fat metabolism, body mass index (BMI), waist circumference (WC), and Diabetes Symptom Rating Scale (DSRS), as well as body composition analysis (BCA) and diabetes risk score (DRS). Record all adverse events that occur and analyze the data collected. The results of this study will provide strong evidence for the efficacy and safety of KYJZ in reducing the incidence of diabetes mellitus in overweight/obese patients with prediabetes.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 2","pages":"Article 100468"},"PeriodicalIF":1.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140433","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}
引用次数: 0
Development of LC/LCMS method for estimation of impurities in anti-HIV drug (Bictegravir) using Analytical Quality by Design (AQbD) approach
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 DOI: 10.1016/j.cjac.2024.100469
Divya Kumar VEMURI , Rambabu GUNDLA , Jayaprakash Kanijam RAGHUPATHI , Nagalakshmi JEEDIMALLA , Gowri Sankararao BURLE , Naresh Kumar KATARI , Sreekantha Babu JONNALAGADDA
Analytical Quality by Design (AQbD) was used to construct stability indicating linked compounds using the HPLC technique of an anti-human immunodeficiency virus (anti-HIV) medicine (Bictegravir). Process-related and degrading impurities were separated on a Zorbax SB-C8 (150×4.6) mm, 3.5 m column. The buffer pH of the mobile phase was kept at 2.5 by employing potassium dihydrogen phosphate 0.05 M Mobile phase A contains 5 % methanol and 95 % buffer, whereas mobile phase B contains 50 % acetonitrile, 10 % methanol, 25 % tetrahydrofuran, and 15 % water. The completed chromatographic settings were a flow rate of 1.2 mL/min, a detector wavelength of UV at 250 nm, and an injection volume of 20 µL. This approach has been verified in accordance with ICH recommendations. The approach was discovered to be particular, sensitive, linear, exact, and accurate. The limit of quantification for all contaminants was determined to be < 0.05 %, the correlation coefficient for all impurities is between 0.9996 and 1.0000, and the percent recovery for all impurities is between 91 % and 108 % at the LOQ level and 97 % to 113 % at the specification level. Forced degradation experiments in chemical and physical stress tests were performed in accordance with regulatory criteria, and the molecule was discovered to be susceptible to acid and base hydrolysis. Imp-A was the most common degrading impurity in both acid and base hydrolysis.
{"title":"Development of LC/LCMS method for estimation of impurities in anti-HIV drug (Bictegravir) using Analytical Quality by Design (AQbD) approach","authors":"Divya Kumar VEMURI ,&nbsp;Rambabu GUNDLA ,&nbsp;Jayaprakash Kanijam RAGHUPATHI ,&nbsp;Nagalakshmi JEEDIMALLA ,&nbsp;Gowri Sankararao BURLE ,&nbsp;Naresh Kumar KATARI ,&nbsp;Sreekantha Babu JONNALAGADDA","doi":"10.1016/j.cjac.2024.100469","DOIUrl":"10.1016/j.cjac.2024.100469","url":null,"abstract":"<div><div>Analytical Quality by Design (AQbD) was used to construct stability indicating linked compounds using the HPLC technique of an anti-human immunodeficiency virus (anti-HIV) medicine (Bictegravir). Process-related and degrading impurities were separated on a Zorbax SB-C8 (150×4.6) mm, 3.5 m column. The buffer pH of the mobile phase was kept at 2.5 by employing potassium dihydrogen phosphate 0.05 M Mobile phase A contains 5 % methanol and 95 % buffer, whereas mobile phase B contains 50 % acetonitrile, 10 % methanol, 25 % tetrahydrofuran, and 15 % water. The completed chromatographic settings were a flow rate of 1.2 mL/min, a detector wavelength of UV at 250 nm, and an injection volume of 20 µL. This approach has been verified in accordance with ICH recommendations. The approach was discovered to be particular, sensitive, linear, exact, and accurate. The limit of quantification for all contaminants was determined to be &lt; 0.05 %, the correlation coefficient for all impurities is between 0.9996 and 1.0000, and the percent recovery for all impurities is between 91 % and 108 % at the LOQ level and 97 % to 113 % at the specification level. Forced degradation experiments in chemical and physical stress tests were performed in accordance with regulatory criteria, and the molecule was discovered to be susceptible to acid and base hydrolysis. Imp-A was the most common degrading impurity in both acid and base hydrolysis.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 2","pages":"Article 100469"},"PeriodicalIF":1.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140430","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}
引用次数: 0
Paper-based immunosensor for quantitative detection of African swine fever virus p54 protein
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-02-01 DOI: 10.1016/j.cjac.2024.100477
Ling-Ling GUO, Xin-Xin XU, Li-Qiang LIU, Hua KUANG, Chuan-Lai XU
African swine fever virus (ASFV) has resulted in significant economic detriment to the livestock industry in recent years. Highly sensitive and accurate detection methods are currently the most effective means for ASFV prevention and control. In this work, the ASFV p54 recombinant protein was successfully expressed by plasmid construction, prokaryotic expression and purification. Monoclonal antibodies (mAbs) were obtained using hybridoma cell technology. Through pair analysis, mAb-6E5 and mAb-4D7 were selected for p54 detection, both exhibiting high affinity and no cross-reactivity with other ASFV proteins. Based on the sandwich colloidal gold immunochromatographic assay principle, a p54 test strip was constructed using 6E5 as the capture antibody and 2D7 as the detection antibody, with a limit of detection of 1.51 ng/mL. The intra- and inter-assay recoveries ranged from 87.8% to 110.6%, with variable coefficient of less than 11.1%. Positive serum samples further confirmed the accuracy of the assay. This developed test strip has the potential to serve as an effective tool for ASFV detection and could play a crucial role in the prevention and management of African Swine Fever (ASF) outbreaks.
{"title":"Paper-based immunosensor for quantitative detection of African swine fever virus p54 protein","authors":"Ling-Ling GUO,&nbsp;Xin-Xin XU,&nbsp;Li-Qiang LIU,&nbsp;Hua KUANG,&nbsp;Chuan-Lai XU","doi":"10.1016/j.cjac.2024.100477","DOIUrl":"10.1016/j.cjac.2024.100477","url":null,"abstract":"<div><div>African swine fever virus (ASFV) has resulted in significant economic detriment to the livestock industry in recent years. Highly sensitive and accurate detection methods are currently the most effective means for ASFV prevention and control. In this work, the ASFV p54 recombinant protein was successfully expressed by plasmid construction, prokaryotic expression and purification. Monoclonal antibodies (mAbs) were obtained using hybridoma cell technology. Through pair analysis, mAb-6E5 and mAb-4D7 were selected for p54 detection, both exhibiting high affinity and no cross-reactivity with other ASFV proteins. Based on the sandwich colloidal gold immunochromatographic assay principle, a p54 test strip was constructed using 6E5 as the capture antibody and 2D7 as the detection antibody, with a limit of detection of 1.51 ng/mL. The intra- and inter-assay recoveries ranged from 87.8% to 110.6%, with variable coefficient of less than 11.1%. Positive serum samples further confirmed the accuracy of the assay. This developed test strip has the potential to serve as an effective tool for ASFV detection and could play a crucial role in the prevention and management of African Swine Fever (ASF) outbreaks.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 2","pages":"Article 100477"},"PeriodicalIF":1.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140431","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}
引用次数: 0
A new coumaric acid diglucoside-sebacic acid glycoside heterozygote compound in Butea monosperma
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1016/j.cjac.2025.100499
Qianghua YUAN , Jun HAN
A new heterozygote compound (3) of coumaric acid diglucoside and sebacic acid glycoside and two known compounds (1, 2) were isolated from the seeds of Butea monosperma. Then, their chemical structures were identified by detailed spectral analysis, including 1D and 2D nuclear magnetic resonance (NMR), mass spectrometry (MS) and infrared (IR) spectroscopy. In addition, the antitumor activity study showed that compound 2 had a significant inhibitory effect on triple negative breast cancer (TNBC) cell line MDA-MB-231, and its IC50 value was 1.546 μmol/L.
{"title":"A new coumaric acid diglucoside-sebacic acid glycoside heterozygote compound in Butea monosperma","authors":"Qianghua YUAN ,&nbsp;Jun HAN","doi":"10.1016/j.cjac.2025.100499","DOIUrl":"10.1016/j.cjac.2025.100499","url":null,"abstract":"<div><div>A new heterozygote compound (<strong>3</strong>) of coumaric acid diglucoside and sebacic acid glycoside and two known compounds (<strong>1, 2</strong>) were isolated from the seeds of <em>Butea monosperma</em>. Then, their chemical structures were identified by detailed spectral analysis, including 1D and 2D nuclear magnetic resonance (NMR), mass spectrometry (MS) and infrared (IR) spectroscopy. In addition, the antitumor activity study showed that compound <strong>2</strong> had a significant inhibitory effect on triple negative breast cancer (TNBC) cell line MDA-MB-231, and its IC<sub>50</sub> value was 1.546 μmol/L.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 3","pages":"Article 100499"},"PeriodicalIF":1.2,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143421223","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}
引用次数: 0
Molecular docking, dynamic molecular simulation and in silico ADMET screening study of novel bidentate tetrazolyl-adipate anti-HIV drugs candidate
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1016/j.cjac.2025.100498
Fatimazohra LENDA , Mohammed ER-RAJY , Asmae El CADI , Hamada IMTARA , Farhate GUENOUN , Hassan ALLOUCHI , Somdutt MUJWAR , Khalid NAJOUI , Omar M. NOMAN , Jean MARTINEZ , Frédéric LAMATY , Menana ELHALLAOUI
In order to develop specific inhibitors of CYP3A4, we chose new derivatives of adipic acid the 2,5-(5-aryl tetrazol-2yl) dimethyl adipate L1-L5. During this study, the Ritonavir molecule known as inhibitor of the cytochrome CYP3A4 are chosen as a reference. A molecular docking simulation on the enzyme 7UAZ is conducted for the ligands L1-L5, in order to study the predictive binding affinity and the interaction mechanism of the 5-aryltetrazolyl substituents introduced at positions 2 and 5 of adipic acid. A molecular docking study revealed that the relative activation energy level ranged from –10.1 to –7.6 kcal/mol, falling within the range of Ritonavir at –9.0 kcal/mol, which confirms the stability of the ligands within the studied enzyme. The results show that the binding mode of the ligands on the enzyme 7UAZ varies significantly depending on the substituent at the -C5 position of the tetrazole, with the best results obtained for the ligands L2 and L5. Then a comparative study based on silico ADMET properties selected only L2 as a potential inhibitor of CYP3A4. A 100 ns molecular dynamics simulation on the ligand-protein complex highlights the stability of ligand L2 within the 7UAZ protein.
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引用次数: 0
Application of nanoscale CeO2 as Fenton-like catalyst in the field of environment and bioscience
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1016/j.cjac.2025.100501
Han XU , Xiang CHU , Jing XU , Meng ZHAO , Lin PENG , Lingling ZHANG , Xiao WANG
Fenton reaction has been regarded as one of the most potent ways to cost-efficiently degrade organic contaminants and cure cancer by inducing cell apoptosis and necrosis. However, commercial Fe-base catalysts and natural enzymes are suffering from high costs and low durability. Exploring a new catalyst for reducing cost and avoiding secondary pollution is demanding. Recent research illustrates that CeO2 owns a specific oxygen vacancy structure and Ce3+/Ce4+ redox cycle, which is thought to be the origin of Fenton-like reaction activities. Significantly, inducing heteroatoms promotes the concentration of oxygen vacancy and Ce3+ ions, and the electrons transfer between Ce and heteroatoms accelerates the redox cycles. The broad reaction pH value and low biotoxicity endow CeO2 with enormous potential in organic pollutants’ disposal and artificial enzyme for healthcare. Because of their excellent stability, Ce-base catalysts are more accessible for storage and transformation than natural enzymes. Meanwhile, electro-/photochemistry technologies are believed to reduce subsequent pollution and potentially be applied in biology fields. This review focuses on the Fenton-like reaction process and its application in environmental engineering and life science.
{"title":"Application of nanoscale CeO2 as Fenton-like catalyst in the field of environment and bioscience","authors":"Han XU ,&nbsp;Xiang CHU ,&nbsp;Jing XU ,&nbsp;Meng ZHAO ,&nbsp;Lin PENG ,&nbsp;Lingling ZHANG ,&nbsp;Xiao WANG","doi":"10.1016/j.cjac.2025.100501","DOIUrl":"10.1016/j.cjac.2025.100501","url":null,"abstract":"<div><div>Fenton reaction has been regarded as one of the most potent ways to cost-efficiently degrade organic contaminants and cure cancer by inducing cell apoptosis and necrosis. However, commercial Fe-base catalysts and natural enzymes are suffering from high costs and low durability. Exploring a new catalyst for reducing cost and avoiding secondary pollution is demanding. Recent research illustrates that CeO<sub>2</sub> owns a specific oxygen vacancy structure and Ce<sup>3+</sup>/Ce<sup>4+</sup> redox cycle, which is thought to be the origin of Fenton-like reaction activities. Significantly, inducing heteroatoms promotes the concentration of oxygen vacancy and Ce<sup>3+</sup> ions, and the electrons transfer between Ce and heteroatoms accelerates the redox cycles. The broad reaction pH value and low biotoxicity endow CeO<sub>2</sub> with enormous potential in organic pollutants’ disposal and artificial enzyme for healthcare. Because of their excellent stability, Ce-base catalysts are more accessible for storage and transformation than natural enzymes. Meanwhile, electro-/photochemistry technologies are believed to reduce subsequent pollution and potentially be applied in biology fields. This review focuses on the Fenton-like reaction process and its application in environmental engineering and life science.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 3","pages":"Article 100501"},"PeriodicalIF":1.2,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143428719","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}
引用次数: 0
Studying the effect of using metal oxide nanofluids on the performance of a single-tube heat exchanger
IF 1.2 4区 化学 Q4 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1016/j.cjac.2025.100497
Waleed N. Al-DARKAZALI , Sara S. HAMOOD , Nassim ALDAHER , Nazar Sattar HARBI
The preparation of aluminum oxide from nanofluid (Al2O3/H2O) in three different concentrations using a two-step method was achieved by using an atomic force microscopy (AFM). The AFM images showed that the nanoparticles took on a spherical shape with a range of average diameters and density within the range of 45–55 nm.
Polyacrylamide (PAAM) was used as a dispersion and suspension agent for aluminum oxide nanoparticles in distilled water at various concentrations (250, 500, 750, 1000) ppm during preparation, followed by determination of the polymer ratio for each sample during preparation, stability assessment by ultraviolet-visible (UV-Vis) spectrophotometer in the wavelength field (200–700) nm for 10 days, and analysis of sample Alumina nanoparticles by dispersion and suspension agent by high-pressure polymers tended M25 resulting in the highest concentrations of the given concentration. By increasing the PAAM concentration, the dispersion and stability of Al2O3 nanoparticles in distilled water appear to be improved, and concentrations of 0.25% seemed to be more evenly dispersed and stable over time, with minor sedimentation compared to (0.1%, 0.05%) vol concentrations, where the absorbance peak decreased by 5.5% despite the increase in size of Al2O3 nanoparticles and their aggregations, while the absorbance peak in the previous concentrations decreased by (14.2% and 8.8%), respectively of the two previous concentrations of Al2O3.
The study of PAAM polymers demonstrated that their rheological properties were not Newtonian, owing to a higher concentration of the polymer, resulting in viscosity results that resembled non-Newtonian polysaccharides.
{"title":"Studying the effect of using metal oxide nanofluids on the performance of a single-tube heat exchanger","authors":"Waleed N. Al-DARKAZALI ,&nbsp;Sara S. HAMOOD ,&nbsp;Nassim ALDAHER ,&nbsp;Nazar Sattar HARBI","doi":"10.1016/j.cjac.2025.100497","DOIUrl":"10.1016/j.cjac.2025.100497","url":null,"abstract":"<div><div>The preparation of aluminum oxide from nanofluid (Al<sub>2</sub>O<sub>3</sub>/H<sub>2</sub>O) in three different concentrations using a two-step method was achieved by using an atomic force microscopy (AFM). The AFM images showed that the nanoparticles took on a spherical shape with a range of average diameters and density within the range of 45–55 nm.</div><div>Polyacrylamide (PAAM) was used as a dispersion and suspension agent for aluminum oxide nanoparticles in distilled water at various concentrations (250, 500, 750, 1000) ppm during preparation, followed by determination of the polymer ratio for each sample during preparation, stability assessment by ultraviolet-visible (UV-Vis) spectrophotometer in the wavelength field (200–700) nm for 10 days, and analysis of sample Alumina nanoparticles by dispersion and suspension agent by high-pressure polymers tended M25 resulting in the highest concentrations of the given concentration. By increasing the PAAM concentration, the dispersion and stability of Al<sub>2</sub>O<sub>3</sub> nanoparticles in distilled water appear to be improved, and concentrations of 0.25% seemed to be more evenly dispersed and stable over time, with minor sedimentation compared to (0.1%, 0.05%) vol concentrations, where the absorbance peak decreased by 5.5% despite the increase in size of Al<sub>2</sub>O<sub>3</sub> nanoparticles and their aggregations, while the absorbance peak in the previous concentrations decreased by (14.2% and 8.8%), respectively of the two previous concentrations of Al<sub>2</sub>O<sub>3</sub>.</div><div>The study of PAAM polymers demonstrated that their rheological properties were not Newtonian, owing to a higher concentration of the polymer, resulting in viscosity results that resembled non-Newtonian polysaccharides.</div></div>","PeriodicalId":277,"journal":{"name":"Chinese Journal of Analytical Chemistry","volume":"53 3","pages":"Article 100497"},"PeriodicalIF":1.2,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143463683","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}
引用次数: 0
期刊
Chinese Journal of Analytical Chemistry
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