Pub Date : 2024-09-10DOI: 10.2174/0115734110313275240820100255
Zufei Feng, Yan Zhao, Sijin Li, Yangfan Hu, Yiming Zou, Yingjuan Zhao, Rong Yang, Yihui Yang, Na Wu
Background: A simple and effective method to separate chlorogenic acid from Eucommia ulmoides leaves with macroporous resin was studied in this paper. Methods: In order to optimize the separation process of chlorogenic acid from Eucommia ulmoides leaves, dynamic adsorption and desorption experiments were carried out on a glass column filled with XDA-8 resin. Based on the First-principles calculation, the possible adsorption models were simulated. Results: Among the six macroporous resins, XDA-8 showed good adsorption/desorption capacity and a high adsorption/desorption ratio for chlorogenic acid. After being treated with XDA-8 resin once, the content of chlorogenic acid from the extraction increased by 525%, and the recovery of chlorogenic acid reached 85.36%. Conclusion: At 25°C, the adsorption behavior of chlorogenic acid on XDA-8 resin was consistent with the Langmuir isotherm model and pseudo-second-order kinetic model. Furthermore, by calculating the charge changes of the O atom at each position in the chlorogenic acid molecule and the H atom at the adsorption site in polystyrene molecule with resin skeleton, and combining with the electron cloud density distribution diagram of chlorogenic acid and resin skeleton, the adsorption of chlorogenic acid by XDA-8 resin is mainly due to the charge transfer, which causes the electron cloud to overlap.
背景：本文研究了一种利用大孔树脂从杜仲叶中分离绿原酸的简单而有效的方法。方法：为了优化杜仲叶中绿原酸的分离过程，在填充有 XDA-8 树脂的玻璃柱上进行了动态吸附和解吸实验。在第一原理计算的基础上，模拟了可能的吸附模型。结果显示在六种大孔树脂中，XDA-8 对绿原酸具有良好的吸附/解吸能力和较高的吸附/解吸比。用 XDA-8 树脂处理一次后，提取物中的绿原酸含量增加了 525%，绿原酸回收率达到 85.36%。结论在 25℃条件下，绿原酸在 XDA-8 树脂上的吸附行为符合 Langmuir 等温线模型和假二阶动力学模型。此外，通过计算绿原酸分子中各位置 O 原子的电荷变化和树脂骨架聚苯乙烯分子中吸附位点 H 原子的电荷变化，并结合绿原酸和树脂骨架的电子云密度分布图，XDA-8 树脂对绿原酸的吸附主要是由于电荷转移导致电子云重叠。
{"title":"Purification and Kinetics of Chlorogenic Acid from Eucommia ulmoides Oliver Leaves by Macroporous Resins Combined with First-Principles Calculation","authors":"Zufei Feng, Yan Zhao, Sijin Li, Yangfan Hu, Yiming Zou, Yingjuan Zhao, Rong Yang, Yihui Yang, Na Wu","doi":"10.2174/0115734110313275240820100255","DOIUrl":"https://doi.org/10.2174/0115734110313275240820100255","url":null,"abstract":"Background: A simple and effective method to separate chlorogenic acid from Eucommia ulmoides leaves with macroporous resin was studied in this paper. Methods: In order to optimize the separation process of chlorogenic acid from Eucommia ulmoides leaves, dynamic adsorption and desorption experiments were carried out on a glass column filled with XDA-8 resin. Based on the First-principles calculation, the possible adsorption models were simulated. Results: Among the six macroporous resins, XDA-8 showed good adsorption/desorption capacity and a high adsorption/desorption ratio for chlorogenic acid. After being treated with XDA-8 resin once, the content of chlorogenic acid from the extraction increased by 525%, and the recovery of chlorogenic acid reached 85.36%. Conclusion: At 25°C, the adsorption behavior of chlorogenic acid on XDA-8 resin was consistent with the Langmuir isotherm model and pseudo-second-order kinetic model. Furthermore, by calculating the charge changes of the O atom at each position in the chlorogenic acid molecule and the H atom at the adsorption site in polystyrene molecule with resin skeleton, and combining with the electron cloud density distribution diagram of chlorogenic acid and resin skeleton, the adsorption of chlorogenic acid by XDA-8 resin is mainly due to the charge transfer, which causes the electron cloud to overlap.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189332","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 : 2024-09-09DOI: 10.2174/0115734110305758240830072300
Wang Haodi, Liu Wen, Xin Jianjian, Zhao Shuxing, Jin Yujuan, Lei Haibo
: Starch is a typical environment-friendly biomass material and there are considerable quantities of reactive hydroxyl groups in the starch molecule chain. Modifications could introduce a large number of functional groups, which can bind some dyeing contaminants, thereby removing the dyes. According to the different modification methods, starch-based adsorbents can be divided into three categories that are aminated-modified starch, ionic-modified starch, and composite-modified starch. The preparation method, structure properties, and adsorption capacity of modified starch dye adsorbents have been reviewed in this article. It can be concluded that the adsorption property of adsorbents depends on different adsorption conditions and modification methods. The adsorption properties of the adsorbents have been found to be influenced by temperature, initial concentration of dyes, and pH value of solution. Amination modification can introduce amino or amine groups into the starch skeleton to enhance the chelation or electrostatic effect of the adsorbents on dyes. Ion modification can improve the ion exchange and electrostatic interaction between the adsorbents and the dye. Composite modification can improve specific surface area, pore size, adsorption site, and structural stability of the adsorbents. Future studies are required to focus on producing dye adsorbents with high adsorption performance, stable structure, recyclability, and degradability.
{"title":"Research Progress in Starch-based Dye Adsorbents","authors":"Wang Haodi, Liu Wen, Xin Jianjian, Zhao Shuxing, Jin Yujuan, Lei Haibo","doi":"10.2174/0115734110305758240830072300","DOIUrl":"https://doi.org/10.2174/0115734110305758240830072300","url":null,"abstract":": Starch is a typical environment-friendly biomass material and there are considerable quantities of reactive hydroxyl groups in the starch molecule chain. Modifications could introduce a large number of functional groups, which can bind some dyeing contaminants, thereby removing the dyes. According to the different modification methods, starch-based adsorbents can be divided into three categories that are aminated-modified starch, ionic-modified starch, and composite-modified starch. The preparation method, structure properties, and adsorption capacity of modified starch dye adsorbents have been reviewed in this article. It can be concluded that the adsorption property of adsorbents depends on different adsorption conditions and modification methods. The adsorption properties of the adsorbents have been found to be influenced by temperature, initial concentration of dyes, and pH value of solution. Amination modification can introduce amino or amine groups into the starch skeleton to enhance the chelation or electrostatic effect of the adsorbents on dyes. Ion modification can improve the ion exchange and electrostatic interaction between the adsorbents and the dye. Composite modification can improve specific surface area, pore size, adsorption site, and structural stability of the adsorbents. Future studies are required to focus on producing dye adsorbents with high adsorption performance, stable structure, recyclability, and degradability.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189333","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}
Background: Polygonum hydropiper, a traditional Chinese herbal medicine, contains abundant volatile components and effective ingredients such as flavonoids, exerting antiinflammatory, antioxidant and antibacterial effects. The pharmacologically active components are differentially distributed in different parts of P. hydropiper. Leaf loss commonly occurs during the processing of medicinal and edible products. Methods: In the present study, the total flavonoid content and DPPH antioxidant activity of the stems and leaves of P. hydropiper were compared and analyzed. A method for determining the content of six antioxidant-active components in P. hydropiper stems and leaves was established based on highperformance liquid chromatography. Simultaneously, the contents of volatile compounds in stems and leaves were determined using gas chromatography–mass spectrometry, and the compositional differences between stem and leaf extracts of P. hydropiper were analyzed. This study aims to develop and validate an analytical method based on combined HPLC and GC-MS analysis of the constituents of P. hydropiper, and to compare the differences in constituents in different tissues of P. hydropiper using the method. objective: Explore the differences in pharmacodynamic components and content of different tissue sites, and clarify the site of concentration of pharmacodynamic substances. Results: The average total flavonoid content in the leaves of the eight batches of P. hydropiper was 0.4 mg/mL, while the average total flavonoid content in the stems was 0.3 mg/mL. The average DPPH scavenging rate of the leaves in the eight batches of P. hydropiper was 99.35%, while the average DPPH scavenging rate of the stems was 98.88%. According to the results of the HPLC assay, the content of flavonoids is significantly higher in leaves than in stems. Kaempferol was not detected in stem samples from various batches. The highest percentage of terpenoids was found in the leaves by GC-MS assay. Conclusion: The medicinal components were concentrated in the leaves of P. hydropiper, which could contribute to cost savings, increase production efficiency, and promote the development of the P. hydropiper industry.
{"title":"Polygonum hydropiper Leaves have More Medicinal Value than Stems: Based on Chemical Composition and Antioxidant Activity","authors":"Meiran Wang, Wencheng Hou, Zixiao Jiang, Zhong Zhuang, Weirui Liu, Yangyang Liu","doi":"10.2174/0115734110326836240820113411","DOIUrl":"https://doi.org/10.2174/0115734110326836240820113411","url":null,"abstract":"Background: Polygonum hydropiper, a traditional Chinese herbal medicine, contains abundant volatile components and effective ingredients such as flavonoids, exerting antiinflammatory, antioxidant and antibacterial effects. The pharmacologically active components are differentially distributed in different parts of P. hydropiper. Leaf loss commonly occurs during the processing of medicinal and edible products. Methods: In the present study, the total flavonoid content and DPPH antioxidant activity of the stems and leaves of P. hydropiper were compared and analyzed. A method for determining the content of six antioxidant-active components in P. hydropiper stems and leaves was established based on highperformance liquid chromatography. Simultaneously, the contents of volatile compounds in stems and leaves were determined using gas chromatography–mass spectrometry, and the compositional differences between stem and leaf extracts of P. hydropiper were analyzed. This study aims to develop and validate an analytical method based on combined HPLC and GC-MS analysis of the constituents of P. hydropiper, and to compare the differences in constituents in different tissues of P. hydropiper using the method. objective: Explore the differences in pharmacodynamic components and content of different tissue sites, and clarify the site of concentration of pharmacodynamic substances. Results: The average total flavonoid content in the leaves of the eight batches of P. hydropiper was 0.4 mg/mL, while the average total flavonoid content in the stems was 0.3 mg/mL. The average DPPH scavenging rate of the leaves in the eight batches of P. hydropiper was 99.35%, while the average DPPH scavenging rate of the stems was 98.88%. According to the results of the HPLC assay, the content of flavonoids is significantly higher in leaves than in stems. Kaempferol was not detected in stem samples from various batches. The highest percentage of terpenoids was found in the leaves by GC-MS assay. Conclusion: The medicinal components were concentrated in the leaves of P. hydropiper, which could contribute to cost savings, increase production efficiency, and promote the development of the P. hydropiper industry.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189335","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 : 2024-09-05DOI: 10.2174/0115734110312334240820074359
Parminder Kaur, Vimal Arora
Background: In the current investigation, derivatives incorporating pyrazole and thiadiazole ring systems were designed, and docking studies were conducted to elucidate their potential binding mode. Antimicrobial Resistance (AMR) is a critical threat to global public health and development, recognized by the World Health Organization (WHO) as one of the top 10 risks worldwide. Objective: The objective was to develop new antimicrobial drugs that can effectively target a wide range of resistant microbes. Methods: The designed derivatives were docked using AutoDock Vina 4.2 against the active sites of Staphylococcus aureus DHFR (2W9H), Staphylococcus aureus GyrB (4URO), Staphylococcus aureus thymidylate kinase (4QGG) for antibacterial activity and Candida albicans DHFR (1M78), Candida albicans aspartic protease 2 (3PVK), Candida albicans N-myristoyl transferase (1IYK) for antifungal activity. Results: The designed derivatives underwent further assessment for in silico physicochemical properties, and drug-likeness. Conclusion: Several of the derivatives exhibited notable anti-microbial activity, demonstrating a potency on par with the Standard drug Ciprofloxacin and Fluconazole. The results, evaluated based on docking scores into the receptor's active site, suggested that the most active derivatives, W36 and W33, may act as promising antibacterial against 2W9H and antifungal against 1IYK, respectively.
{"title":"In silico Investigation and Molecular Docking Studies of Pyrazole Incorporated Thiadiazole Derivatives for Antimicrobial Activities","authors":"Parminder Kaur, Vimal Arora","doi":"10.2174/0115734110312334240820074359","DOIUrl":"https://doi.org/10.2174/0115734110312334240820074359","url":null,"abstract":"Background: In the current investigation, derivatives incorporating pyrazole and thiadiazole ring systems were designed, and docking studies were conducted to elucidate their potential binding mode. Antimicrobial Resistance (AMR) is a critical threat to global public health and development, recognized by the World Health Organization (WHO) as one of the top 10 risks worldwide. Objective: The objective was to develop new antimicrobial drugs that can effectively target a wide range of resistant microbes. Methods: The designed derivatives were docked using AutoDock Vina 4.2 against the active sites of Staphylococcus aureus DHFR (2W9H), Staphylococcus aureus GyrB (4URO), Staphylococcus aureus thymidylate kinase (4QGG) for antibacterial activity and Candida albicans DHFR (1M78), Candida albicans aspartic protease 2 (3PVK), Candida albicans N-myristoyl transferase (1IYK) for antifungal activity. Results: The designed derivatives underwent further assessment for in silico physicochemical properties, and drug-likeness. Conclusion: Several of the derivatives exhibited notable anti-microbial activity, demonstrating a potency on par with the Standard drug Ciprofloxacin and Fluconazole. The results, evaluated based on docking scores into the receptor's active site, suggested that the most active derivatives, W36 and W33, may act as promising antibacterial against 2W9H and antifungal against 1IYK, respectively.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189336","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 : 2024-09-05DOI: 10.2174/0115734110312696240822101941
Mohammed Bouziani Idrissi, Idriss Moumen, Sara Taghzouti, Koray Sayin, El Mahjoub Chakir, Hassan Zarrok, Hassan Oudda
Background: The corrosion of Mild Steel (MS) in harsh acidic environments, such as Hydrochloric acid (HCl), is a significant industrial issue with environmental consequences. Corrosion inhibitors, particularly those containing heteroatoms and aromatic rings, are a proven method for mitigating corrosion. Traditional methods for studying corrosion inhibitors often require resource- intensive experiments. Methods: This study explores the use of Quantitative Structure-Property Relationship (QSPR) modeling, a Machine Learning (ML) technique, to predict the inhibition efficiency of organic corrosion inhibitors in HCl environments. Several ML models were employed: Linear Regression (LR), Random Forest Regression (RF), Support Vector Regression (SVR), Multilayer Perceptron Regression (MLP), and XGBoost Regression (XGB). Results: The investigation revealed that some models achieved exceptional predictive accuracy with significantly reduced errors and high precision. These models offer a promising avenue for efficient corrosion inhibitor design, reducing reliance on extensive experimentation. Conclusion: This study contributes to the advancement of corrosion science and materials engineering by introducing innovative strategies for developing effective corrosion inhibitors using machinelearning- driven QSPR models.
{"title":"Harnessing Machine Learning for QSPR Modeling of Corrosion Inhibitors in HCl for Mild Steel Protection","authors":"Mohammed Bouziani Idrissi, Idriss Moumen, Sara Taghzouti, Koray Sayin, El Mahjoub Chakir, Hassan Zarrok, Hassan Oudda","doi":"10.2174/0115734110312696240822101941","DOIUrl":"https://doi.org/10.2174/0115734110312696240822101941","url":null,"abstract":"Background: The corrosion of Mild Steel (MS) in harsh acidic environments, such as Hydrochloric acid (HCl), is a significant industrial issue with environmental consequences. Corrosion inhibitors, particularly those containing heteroatoms and aromatic rings, are a proven method for mitigating corrosion. Traditional methods for studying corrosion inhibitors often require resource- intensive experiments. Methods: This study explores the use of Quantitative Structure-Property Relationship (QSPR) modeling, a Machine Learning (ML) technique, to predict the inhibition efficiency of organic corrosion inhibitors in HCl environments. Several ML models were employed: Linear Regression (LR), Random Forest Regression (RF), Support Vector Regression (SVR), Multilayer Perceptron Regression (MLP), and XGBoost Regression (XGB). Results: The investigation revealed that some models achieved exceptional predictive accuracy with significantly reduced errors and high precision. These models offer a promising avenue for efficient corrosion inhibitor design, reducing reliance on extensive experimentation. Conclusion: This study contributes to the advancement of corrosion science and materials engineering by introducing innovative strategies for developing effective corrosion inhibitors using machinelearning- driven QSPR models.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189337","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}
Background: The problem of nuclear water pollution is becoming serious worldwide. Uranium, as a metal substance with long half-life radioactivity, is commonly treated by various methods. Adsorption is considered to be one of the most promising methods for treating uraniumcontaining wastewater. Method: Magnetic nanoparticles MnFe2O4 were prepared via the coprecipitation method, followed by modification of silica using the improved Stöber method. Subsequently, amino was functionalized and grafted onto graphene oxide to prepare a novel magnetic graphene oxide composite MnFe2O4@SiO2-NH2@GO. Results: The highest adsorption rate of MnFe2O4@SiO2-NH2@GO for uranium can reach 97.27% in 1 mg·L-1 uranium solution, and the adsorption process conformed to the quasi-second-order kinetic model and Langmuir adsorption isotherm model, indicating that it was a monolayer adsorption dominated by chemisorption. The adsorption thermodynamic parameters demonstrated that the adsorption process was a spontaneous endothermic reaction. Conclusion: MnFe2O4@SiO2-NH2@GO had excellent adsorption properties for uranium, which has great application potential in the treatment of low-concentration uranium-containing wastewater.
{"title":"Study on the Adsorption Performance of a Novel Magnetic Graphene Oxide Adsorbent for Uranium","authors":"Zijie Chen, Shaorong Huang, Zhen Liu, Qian Wu, Jingjing Liu, Yan Tan, Xilin Xiao","doi":"10.2174/0115734110307561240822094748","DOIUrl":"https://doi.org/10.2174/0115734110307561240822094748","url":null,"abstract":"Background: The problem of nuclear water pollution is becoming serious worldwide. Uranium, as a metal substance with long half-life radioactivity, is commonly treated by various methods. Adsorption is considered to be one of the most promising methods for treating uraniumcontaining wastewater. Method: Magnetic nanoparticles MnFe2O4 were prepared via the coprecipitation method, followed by modification of silica using the improved Stöber method. Subsequently, amino was functionalized and grafted onto graphene oxide to prepare a novel magnetic graphene oxide composite MnFe2O4@SiO2-NH2@GO. Results: The highest adsorption rate of MnFe2O4@SiO2-NH2@GO for uranium can reach 97.27% in 1 mg·L-1 uranium solution, and the adsorption process conformed to the quasi-second-order kinetic model and Langmuir adsorption isotherm model, indicating that it was a monolayer adsorption dominated by chemisorption. The adsorption thermodynamic parameters demonstrated that the adsorption process was a spontaneous endothermic reaction. Conclusion: MnFe2O4@SiO2-NH2@GO had excellent adsorption properties for uranium, which has great application potential in the treatment of low-concentration uranium-containing wastewater.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224567","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 : 2024-09-05DOI: 10.2174/0115734110333632240820073214
Doğukan Şakacı, Efdal Teknikel
Introduction: pH indicators have long been utilized for rapid pH determination, relying on color changes to indicate pH values. However, visual color detection suffers from low sensitivity due to the limitations of the human eye. In this study, we explored the use of pyrylium compounds as pH indicators. Method: Three pyrylium compounds were synthesized, and their pH-dependent UV-Vis absorption and color changes were investigated. UV-Vis absorption studies revealed distinct pH-dependent changes, enabling the compounds to function as dual-transition pH indicators. The pKa values of these indicators can be tuned by changing the substituent on the chromophore core. Results: Principal component analysis of the mixture of these three compounds demonstrated the ability of the system to measure pH with high precision, making it suitable for real sample analysis. Smartphone-assisted analysis was employed to exploit the potential of these indicators for widerange (4.0-13.5) pH determination. Conclusion: The obtained results demonstrated for the first time that pyrylium compounds can be used as dual-transition pH indicators. By modifying the substituents on this chromophore, indicators operating in different pH ranges can be obtained and utilized in smartphone-assisted pH detection.
{"title":"Pyrylium Compounds as Dual-transition pH Indicators and their Applications to Smartphone-assisted pH Determination","authors":"Doğukan Şakacı, Efdal Teknikel","doi":"10.2174/0115734110333632240820073214","DOIUrl":"https://doi.org/10.2174/0115734110333632240820073214","url":null,"abstract":"Introduction: pH indicators have long been utilized for rapid pH determination, relying on color changes to indicate pH values. However, visual color detection suffers from low sensitivity due to the limitations of the human eye. In this study, we explored the use of pyrylium compounds as pH indicators. Method: Three pyrylium compounds were synthesized, and their pH-dependent UV-Vis absorption and color changes were investigated. UV-Vis absorption studies revealed distinct pH-dependent changes, enabling the compounds to function as dual-transition pH indicators. The pKa values of these indicators can be tuned by changing the substituent on the chromophore core. Results: Principal component analysis of the mixture of these three compounds demonstrated the ability of the system to measure pH with high precision, making it suitable for real sample analysis. Smartphone-assisted analysis was employed to exploit the potential of these indicators for widerange (4.0-13.5) pH determination. Conclusion: The obtained results demonstrated for the first time that pyrylium compounds can be used as dual-transition pH indicators. By modifying the substituents on this chromophore, indicators operating in different pH ranges can be obtained and utilized in smartphone-assisted pH detection.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142224595","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 : 2024-09-05DOI: 10.2174/0115734110318492240824112721
Pooja Das Manjulabhai, Arun Warrier, Dr. Jeethu Raveendran, Dr. Dhanya Gangadharan
Background: Erlotinib (ERL) is a crucial tyrosine kinase inhibitor utilized for treating non-small cell lung cancer (NSCLC) and pancreatic cancer. However, due to its significant adverse effects, precise dosage monitoring is essential throughout treatments. Methods: This study developed a sensitive and specific screen-printed electrode (SPE) sensor to detect erlotinib in human serum, urine, and pharmaceutical dosage forms. The sensor's linear response range, limit of detection (LOD), and limit of quantification (LOQ) were determined. Additionally, the sensor's selectivity was assessed by studying electro-oxidation in the presence of common interfering molecules. Results: The developed sensor exhibited a linear response range of 2.0 μM to 34.0 μM, with a LOD of 0.03 μM and a LOQ of 0.84 μM. Excellent recovery values were observed in human serum, urine, and tablet dosage forms, demonstrating the sensor's applicability. The selectivity study confirmed the sensor's ability to accurately quantify erlotinib in the presence of interfering substances. Conclusion: The research presents a novel and reliable technique for therapeutic drug monitoring of erlotinib using a screen-printed electrode sensor. This method offers a quick, simple, and costeffective approach for detecting ERL in actual samples, thereby facilitating improved dosage monitoring in clinical settings.
{"title":"Electrochemical Behavior of an Anti-cancer Drug Erlotinib at Screen-Printed Electrode and its Analytical Application","authors":"Pooja Das Manjulabhai, Arun Warrier, Dr. Jeethu Raveendran, Dr. Dhanya Gangadharan","doi":"10.2174/0115734110318492240824112721","DOIUrl":"https://doi.org/10.2174/0115734110318492240824112721","url":null,"abstract":"Background: Erlotinib (ERL) is a crucial tyrosine kinase inhibitor utilized for treating non-small cell lung cancer (NSCLC) and pancreatic cancer. However, due to its significant adverse effects, precise dosage monitoring is essential throughout treatments. Methods: This study developed a sensitive and specific screen-printed electrode (SPE) sensor to detect erlotinib in human serum, urine, and pharmaceutical dosage forms. The sensor's linear response range, limit of detection (LOD), and limit of quantification (LOQ) were determined. Additionally, the sensor's selectivity was assessed by studying electro-oxidation in the presence of common interfering molecules. Results: The developed sensor exhibited a linear response range of 2.0 μM to 34.0 μM, with a LOD of 0.03 μM and a LOQ of 0.84 μM. Excellent recovery values were observed in human serum, urine, and tablet dosage forms, demonstrating the sensor's applicability. The selectivity study confirmed the sensor's ability to accurately quantify erlotinib in the presence of interfering substances. Conclusion: The research presents a novel and reliable technique for therapeutic drug monitoring of erlotinib using a screen-printed electrode sensor. This method offers a quick, simple, and costeffective approach for detecting ERL in actual samples, thereby facilitating improved dosage monitoring in clinical settings.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189334","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 : 2024-09-04DOI: 10.2174/0115734110327096240823114100
Leila Khoshmaram, Fatemeh Zakeran H.
Aims: The primary objective of this study was to develop a simple, selective, sensitive, and rapid method for the determination of trace levels of Rhodamine B in different cosmetic items. Background: At present, synthetic dyes in various colors are essential in cosmetic products, not only for adding pleasant scents, but also for enhancing their appeal and restoring natural colors. Rhodamine B, a pink synthetic azo dye, is widely used in the cosmetic industry. It poses risks if ingested by humans and animals, causing skin, eye, and respiratory irritation. Scientific studies have shown that it has carcinogenic, reproductive, developmental, neurotoxic, and chronic toxic effects on both humans and animals. Therefore, the improvement of precise and fast measurement techniques for detecting Rhodamine B in different sample types is crucial. Objective: The objective of this study was to find a fast, accurate, and sensitive method for the determination of trace levels of Rhodamine B in different cosmetic items. Methods: The technique used has been based on Dispersive Surfactant Micelle-mediated Extraction (DSME) combined with digital image analysis. Results: The optimized method yielded a linear calibration graph ranging from 25 to 300 μg L-1, with a correlation coefficient of 0.9975 and the Limit of Detection (LOD) of 6.7 μg L-1. The proposed method was used to measure Rhodamine B in lipstick and nail polish samples, resulting in satisfactory recoveries ranging from 97.8 to 107.2%. Conclusion: DSME could remove the necessity of high temperature, hazardous organic solvents, and anionic surfactants in Cloud Point Extraction (CPE) and Catanionic Surfactants-based Coacervation Extraction (CSCE). Additionally, experiments have shown the results from digital image analysis to be in line with those from a commercial UV-Vis spectrophotometer and a spectrofluorometer. The authors believe that utilizing DSME image analysis could be a beneficial alternative to the analytical analysis of other colored species in routine analysis.
目的：本研究的主要目的是开发一种简单、选择性强、灵敏而快速的方法，用于测定不同化妆品中罗丹明 B 的痕量含量。研究背景目前，各种颜色的合成染料在化妆品中必不可少，它们不仅能增加化妆品的香味，还能增强化妆品的吸引力，恢复化妆品的天然色彩。罗丹明 B 是一种粉红色的合成偶氮染料，被广泛用于化妆品行业。如果人和动物摄入，会对皮肤、眼睛和呼吸系统造成刺激。科学研究表明，它对人类和动物都有致癌、生殖、发育、神经毒性和慢性毒性作用。因此，改进精确、快速的测量技术以检测不同类型样品中的罗丹明 B 至关重要。研究目的本研究旨在寻找一种快速、准确、灵敏的方法来检测不同化妆品中罗丹明 B 的痕量含量。方法：采用分散表面活性剂胶束介导萃取（DSME）技术，并结合数字图像分析。结果优化后的方法得到了从 25 μg L-1 到 300 μg L-1 的线性校准图，相关系数为 0.9975，检出限（LOD）为 6.7 μg L-1。该方法用于测定口红和指甲油样品中的罗丹明 B，回收率在 97.8% 至 107.2% 之间，结果令人满意。结论DSME 可以避免在浊点萃取（CPE）和阴离子表面活性剂凝聚萃取（CSCE）中使用高温、有害有机溶剂和阴离子表面活性剂。此外，实验表明数字图像分析的结果与商用紫外可见分光光度计和分光荧光计的结果一致。作者认为，在常规分析中，利用 DSME 图像分析可以替代对其他有色物种的分析。
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Pub Date : 2024-09-04DOI: 10.2174/0115734110316419240827042024
Marina González, Nayara Araujo dos Santos, Camila Medeiros de Almeida, Rafael Scorsatto Ortiz, Renata Pereira Limberger, Wanderson Romão, Kristiane de Cássia Mariotti, Andreas Sebastian Loureiro Mendez
Background: Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging (MALDI-MSI) technique has been reported in the literature for fingermark analysis and forensic purposes. One of the greatest challenges in this field involves the aging of fingermarks, which has an essential role in criminal investigation. Objective: This study presents an approach to preservation fingermarks analysis through the MALDI- Fourier transform ion cyclotron resonance mass spectrometry method, comparing different matrix samples. Methods: For MALDI analysis, the efficiency of three MALDI matrices (α-cyano-4- hydroxycinnamic acid (CHCA), 2-mercaptobenzothiazole (MBT), and 2,5-dihydroxybenzoic acid (DHB)) in the ionization process of monitored analytes (m/z 368.4, m/z 522.6 and m/z 550.6) was initially evaluated, along with the spatial resolution (80 × 80 μm and 100 × 100 μm). Results: The CHCA matrix, and the resolution of 100 × 100 μm were chosen for the MALDI MSI analysis. The fingermark collections were analyzed at eight intervals from zero hours to fifty days. Additionally, photochemical aging (from zero hours to five days) of fingermarks, performed by applying constant light for five days to three different samples from the same donor, resulted in loss of chemical material and deformation of the image obtained by MALDI FT-ICR MSI analysis. On the other hand, in natural aging, the most expressive result showed that it is possible to visualize fingermark ridges of up to fifty days elapsed. Conclusion: The method proposed showed a potential for fingermark examination and application in forensic routine. Chemical imaging of fingermarks can be a useful tool in detecting and comparing evidence, even after a considerable period.
{"title":"Latent Fingermarks Analysis by Imaging Mass Spectrometry","authors":"Marina González, Nayara Araujo dos Santos, Camila Medeiros de Almeida, Rafael Scorsatto Ortiz, Renata Pereira Limberger, Wanderson Romão, Kristiane de Cássia Mariotti, Andreas Sebastian Loureiro Mendez","doi":"10.2174/0115734110316419240827042024","DOIUrl":"https://doi.org/10.2174/0115734110316419240827042024","url":null,"abstract":"Background: Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging (MALDI-MSI) technique has been reported in the literature for fingermark analysis and forensic purposes. One of the greatest challenges in this field involves the aging of fingermarks, which has an essential role in criminal investigation. Objective: This study presents an approach to preservation fingermarks analysis through the MALDI- Fourier transform ion cyclotron resonance mass spectrometry method, comparing different matrix samples. Methods: For MALDI analysis, the efficiency of three MALDI matrices (α-cyano-4- hydroxycinnamic acid (CHCA), 2-mercaptobenzothiazole (MBT), and 2,5-dihydroxybenzoic acid (DHB)) in the ionization process of monitored analytes (m/z 368.4, m/z 522.6 and m/z 550.6) was initially evaluated, along with the spatial resolution (80 × 80 μm and 100 × 100 μm). Results: The CHCA matrix, and the resolution of 100 × 100 μm were chosen for the MALDI MSI analysis. The fingermark collections were analyzed at eight intervals from zero hours to fifty days. Additionally, photochemical aging (from zero hours to five days) of fingermarks, performed by applying constant light for five days to three different samples from the same donor, resulted in loss of chemical material and deformation of the image obtained by MALDI FT-ICR MSI analysis. On the other hand, in natural aging, the most expressive result showed that it is possible to visualize fingermark ridges of up to fifty days elapsed. Conclusion: The method proposed showed a potential for fingermark examination and application in forensic routine. Chemical imaging of fingermarks can be a useful tool in detecting and comparing evidence, even after a considerable period.","PeriodicalId":10742,"journal":{"name":"Current Analytical Chemistry","volume":null,"pages":null},"PeriodicalIF":1.8,"publicationDate":"2024-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189353","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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