Pub Date : 2026-01-03DOI: 10.1016/j.jics.2026.102408
Damla Kübra Gürlenkaya , Levent Gürel
In this study, it was aimed to investigate the usability of Borlotti bean, green pea, and raw pumpkin seed shells, which are produced in large quantities as waste and sent to landfill sites, as alternatives to commercial adsorbents in the removal of Cationic G. Yellow X-GL dye from textile wastewater. In adsorption studies, the most suitable initial pH value for all adsorbents used was found to be 10 and adsorption capacities were 32.01, 26.13 and 20.72 mg/g for raw pumpkin seed shells (RPSS), acid-treated green pea shells (ATGPS) and acid-treated borlotti bean shells (ATBBS) at a dosage of 0.1 g/100 mL. The highest dye removal (%) of approximately 95 % was obtained by using RPSS at a dosage of 1 g/100 mL. The data was suited perfectly to Freundlich and Langmuir models except ATBBS only to Freundlich model. Pseudo second-order reaction model is the most convenient kinetic model with an R2 of 0.99 for entire adsorbents. Characterization studies exhibited various functional groups on three adsorbents. The results showed that RPSS gave the best performance among the adsorbents and that all adsorbents could be alternative adsorbent candidates due to their abundant availability and sufficient adsorption performance.
{"title":"Assessment of foodstuff wastes as possible adsorbents for real cationic textile dye removal","authors":"Damla Kübra Gürlenkaya , Levent Gürel","doi":"10.1016/j.jics.2026.102408","DOIUrl":"10.1016/j.jics.2026.102408","url":null,"abstract":"<div><div>In this study, it was aimed to investigate the usability of Borlotti bean, green pea, and raw pumpkin seed shells, which are produced in large quantities as waste and sent to landfill sites, as alternatives to commercial adsorbents in the removal of Cationic G. Yellow X-GL dye from textile wastewater. In adsorption studies, the most suitable initial pH value for all adsorbents used was found to be 10 and adsorption capacities were 32.01, 26.13 and 20.72 mg/g for raw pumpkin seed shells (RPSS), acid-treated green pea shells (ATGPS) and acid-treated borlotti bean shells (ATBBS) at a dosage of 0.1 g/100 mL. The highest dye removal (%) of approximately 95 % was obtained by using RPSS at a dosage of 1 g/100 mL. The data was suited perfectly to Freundlich and Langmuir models except ATBBS only to Freundlich model. Pseudo second-order reaction model is the most convenient kinetic model with an R<sup>2</sup> of 0.99 for entire adsorbents. Characterization studies exhibited various functional groups on three adsorbents. The results showed that RPSS gave the best performance among the adsorbents and that all adsorbents could be alternative adsorbent candidates due to their abundant availability and sufficient adsorption performance.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102408"},"PeriodicalIF":3.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145978938","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 : 2026-01-03DOI: 10.1016/j.jics.2025.102394
Hanieh Samadi, Majid Saidi
This study investigates the simultaneous production and purification of hydrogen from bio-waste glycerol, a byproduct of biodiesel production, through steam reforming in membrane reactor. To analyze the process, two-dimensional axisymmetric computational fluid dynamics model was developed in COMSOL Multiphysics. The model was designed and validated to examine the distribution of chemical species concentrations under operational conditions, including a steam-to-glycerol ratio of 6, pressure of 1 atm, and sweep gas ratio of 10. The performance of Ni/Al2O3, Co/Al2O3, and Ru/Al2O3catalysts was compared to evaluate their effects on conversion, hydrogen yield and recovery. The results showed conversion of 56.43 % at 673 K and 87.7 % at 773 K. These results closely align with experimental data for nickel catalyst (60 % and 87.9 %, respectively), with relative errors of 5.95 % and 0.23 %, respectively. The Ru/Al2O3catalyst exhibited superior performance in terms of activity and stability. The Ru/Al2O3 catalyst achieved a maximum hydrogen yield of 93 % at 973 K and, under baseline conditions of S/C = 6, 1 atm pressure, and SF = 10, outperformed Ni/Al2O3 (85 %) and Co/Al2O3 (80 %). This superior activity, along with enhanced resistance to coking, reinforces Ru/Al2O3 as an efficient option for sustainable hydrogen production from biodiesel byproducts. Increasing temperature improved glycerol conversion and hydrogen recovery, while higher pressure enhanced hydrogen permeability through the membrane. Optimizing operational pressure is essential, as it may negatively affect reaction equilibrium. The results of this study highlight the potential of using the Ru/Al2O3catalyst and determining optimal operational conditions to achieve efficient and sustainable hydrogen production from bio-waste glycerol.
{"title":"Bio-waste glycerol steam reforming to hydrogen through membrane reactor: Application of computational fluid dynamics technique","authors":"Hanieh Samadi, Majid Saidi","doi":"10.1016/j.jics.2025.102394","DOIUrl":"10.1016/j.jics.2025.102394","url":null,"abstract":"<div><div>This study investigates the simultaneous production and purification of hydrogen from bio-waste glycerol, a byproduct of biodiesel production, through steam reforming in membrane reactor. To analyze the process, two-dimensional axisymmetric computational fluid dynamics model was developed in COMSOL Multiphysics. The model was designed and validated to examine the distribution of chemical species concentrations under operational conditions, including a steam-to-glycerol ratio of 6, pressure of 1 atm, and sweep gas ratio of 10. The performance of Ni/Al<sub>2</sub>O<sub>3</sub>, Co/Al<sub>2</sub>O<sub>3</sub>, and Ru/Al<sub>2</sub>O<sub>3</sub>catalysts was compared to evaluate their effects on conversion, hydrogen yield and recovery. The results showed conversion of 56.43 % at 673 K and 87.7 % at 773 K. These results closely align with experimental data for nickel catalyst (60 % and 87.9 %, respectively), with relative errors of 5.95 % and 0.23 %, respectively. The Ru/Al<sub>2</sub>O<sub>3</sub>catalyst exhibited superior performance in terms of activity and stability. The Ru/Al<sub>2</sub>O<sub>3</sub> catalyst achieved a maximum hydrogen yield of 93 % at 973 K and, under baseline conditions of S/C = 6, 1 atm pressure, and SF = 10, outperformed Ni/Al<sub>2</sub>O<sub>3</sub> (85 %) and Co/Al<sub>2</sub>O<sub>3</sub> (80 %). This superior activity, along with enhanced resistance to coking, reinforces Ru/Al<sub>2</sub>O<sub>3</sub> as an efficient option for sustainable hydrogen production from biodiesel byproducts. Increasing temperature improved glycerol conversion and hydrogen recovery, while higher pressure enhanced hydrogen permeability through the membrane. Optimizing operational pressure is essential, as it may negatively affect reaction equilibrium. The results of this study highlight the potential of using the Ru/Al<sub>2</sub>O<sub>3</sub>catalyst and determining optimal operational conditions to achieve efficient and sustainable hydrogen production from bio-waste glycerol.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102394"},"PeriodicalIF":3.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928374","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 : 2026-01-03DOI: 10.1016/j.jics.2026.102404
Sonali P. Jadhav , Parag R. Gogate
The current study explores the treatment of Sunset Yellow dye using hydrodynamic cavitation (HC), ultrasonic horn (US), and their combinations with UV light and different oxidants. Experiments showed that the best operating conditions for HC were a dye concentration of 20 ppm, pH 10, and an inlet pressure of 2 bar. Under these settings, HC alone removed 56.09 % of the dye and achieved a 12.48 % reduction in COD, while the US alone was less effective, reaching only 29.25 % decolorization. The addition of oxidants and catalysts noticeably strengthened the process. Titanium dioxide (TiO2) at 0.8 g/L as optimum loading led to 78.25 % removal, and hydrogen peroxide (H2O2) at 1 g/L resulted in higher degradation as 84.44 %. Among all additives, potassium persulfate (KPS) (1 g/L) delivered the best performance, reaching 97.31 % removal when combined with HC. Overall, systems coupling HC with UV and suitable additives performed far better than cavitation alone, with the HC + UV + KPS setup achieving complete colour removal and a 72.22 % in COD reduction. Overall, results clearly show that combining cavitation with UV irradiation and oxidants in optimum amount results in a much more effective treatment route for Sunset Yellow degradation than any single technique used independently.
{"title":"Degradation of sunset yellow dye using hydrodynamic cavitation and ultrasonic horn assisted by UV irradiation and chemical additives","authors":"Sonali P. Jadhav , Parag R. Gogate","doi":"10.1016/j.jics.2026.102404","DOIUrl":"10.1016/j.jics.2026.102404","url":null,"abstract":"<div><div>The current study explores the treatment of Sunset Yellow dye using hydrodynamic cavitation (HC), ultrasonic horn (US), and their combinations with UV light and different oxidants. Experiments showed that the best operating conditions for HC were a dye concentration of 20 ppm, pH 10, and an inlet pressure of 2 bar. Under these settings, HC alone removed 56.09 % of the dye and achieved a 12.48 % reduction in COD, while the US alone was less effective, reaching only 29.25 % decolorization. The addition of oxidants and catalysts noticeably strengthened the process. Titanium dioxide (TiO<sub>2</sub>) at 0.8 g/L as optimum loading led to 78.25 % removal, and hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) at 1 g/L resulted in higher degradation as 84.44 %. Among all additives, potassium persulfate (KPS) (1 g/L) delivered the best performance, reaching 97.31 % removal when combined with HC. Overall, systems coupling HC with UV and suitable additives performed far better than cavitation alone, with the HC + UV + KPS setup achieving complete colour removal and a 72.22 % in COD reduction. Overall, results clearly show that combining cavitation with UV irradiation and oxidants in optimum amount results in a much more effective treatment route for Sunset Yellow degradation than any single technique used independently.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102404"},"PeriodicalIF":3.4,"publicationDate":"2026-01-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928367","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}
Electrochemical supercapacitors (ESCs) have emerged as promising energy storage devices owing to their high-power density, rapid charge–discharge capability, and excellent cyclic stability. The performance of ESCs is largely governed by the intrinsic properties of electrode materials. In this work, we introduce ferrous hydroxide (Fe(OH)2) nanostructures synthesized via a microwave-assisted (2.45 GHz) route as an environmentally benign and efficient electrode material for supercapacitor applications. The electrodes were fabricated by depositing Fe(OH)2 nanostructures on indium tin oxide (ITO)-coated glass substrates exhibiting a large electroactive surface area and improved ion transport. The resulting electrodes delivers a high specific capacitance of 859 F/g with power density of 238.6 kW/kg and energy density of 745.66 Wh/kg at 0.5 A g−1 in KOH electrolyte of pH value of 12. Notably, they retained 85.5 % capacitance after 12,000 cycles, underscoring exceptional stability. The Fe(OH)2 nanostructures are assured as a high-performance and environmentally benign electrode material, highlighting its strong potential for next-generation sustainable ESCs.
电化学超级电容器因其高功率密度、快速充放电能力和优异的循环稳定性而成为一种很有前途的储能器件。ESCs的性能在很大程度上取决于电极材料的固有特性。在这项工作中，我们介绍了通过微波辅助（2.45 GHz）路线合成的氢氧化铁（Fe(OH)2）纳米结构，作为超级电容器应用的环保高效电极材料。通过将Fe(OH)2纳米结构沉积在氧化铟锡（ITO）涂层的玻璃衬底上制备电极，显示出大的电活性表面积和改善的离子传输。在pH值为12的KOH电解液中，在0.5 a g−1条件下，电极的比电容高达859 F/g，功率密度为238.6 kW/kg，能量密度为745.66 Wh/kg。值得注意的是，在12,000次循环后，它们保持了85.5%的电容，强调了卓越的稳定性。Fe(OH)2纳米结构是一种高性能、环保的电极材料，突出了其在下一代可持续ESCs中的强大潜力。
{"title":"Ferrous hydroxide nanostructures as a stable electrode material for electrochemical supercapacitors","authors":"Partha Pratim Sahu, Palash Phukan, Jagat Das, Mousumi Deori","doi":"10.1016/j.jics.2025.102378","DOIUrl":"10.1016/j.jics.2025.102378","url":null,"abstract":"<div><div>Electrochemical supercapacitors (ESCs) have emerged as promising energy storage devices owing to their high-power density, rapid charge–discharge capability, and excellent cyclic stability. The performance of ESCs is largely governed by the intrinsic properties of electrode materials. In this work, we introduce ferrous hydroxide (Fe(OH)<sub>2</sub>) nanostructures synthesized via a microwave-assisted (2.45 GHz) route as an environmentally benign and efficient electrode material for supercapacitor applications. The electrodes were fabricated by depositing Fe(OH)<sub>2</sub> nanostructures on indium tin oxide (ITO)-coated glass substrates exhibiting a large electroactive surface area and improved ion transport. The resulting electrodes delivers a high specific capacitance of 859 F/g with power density of 238.6 kW/kg and energy density of 745.66 Wh/kg at 0.5 A g<sup>−1</sup> in KOH electrolyte of pH value of 12. Notably, they retained 85.5 % capacitance after 12,000 cycles, underscoring exceptional stability. The Fe(OH)<sub>2</sub> nanostructures are assured as a high-performance and environmentally benign electrode material, highlighting its strong potential for next-generation sustainable ESCs.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102378"},"PeriodicalIF":3.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145978937","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}
Parkinson's Disease (PD) is a progressive neurodegenerative disorder that results in the loss of dopamine-producing neurons, leading to various motor and non-motor symptoms. Current treatments primarily provide symptomatic relief but fail to address disease progression. In this study, 39 pyrimidine derivatives were investigated as potential therapeutic agents for PD using an integrated approach combining network pharmacology, molecular docking, and molecular dynamics (MD) simulations. Network pharmacology identified PI3Kγ and JAK2 as the top two key receptors involved in PD, with compound P23 targeting these proteins effectively. Molecular docking revealed that compound P23 exhibited strong binding affinity with both the 7Q7I (JAK2 tyrosine kinase receptor) and 7R9V (PI3Kγ complex) proteins, with docking scores of −9.5 kcal/mol and −9.7 kcal/mol, respectively, surpassing the co-crystallized ligands and reference drugs. MD simulations (200 ns) demonstrated the stability and flexibility of the protein-ligand complexes, and MM/GBSA calculations confirmed the strong binding interactions of compound P23. The results suggest that pyrimidine derivatives could modulate key signaling pathways associated with PD, offering a promising avenue for the development of novel PD therapies.
{"title":"Investigation of pyrimidine derivatives for Parkinson's disease: An integrated approach of network pharmacology, molecular docking, and MD simulation","authors":"Pushpaveni Chakravarthi , Biswaranjan Patra , Sneha Wali , Subhas S. Karki","doi":"10.1016/j.jics.2025.102390","DOIUrl":"10.1016/j.jics.2025.102390","url":null,"abstract":"<div><div>Parkinson's Disease (PD) is a progressive neurodegenerative disorder that results in the loss of dopamine-producing neurons, leading to various motor and non-motor symptoms. Current treatments primarily provide symptomatic relief but fail to address disease progression. In this study, 39 pyrimidine derivatives were investigated as potential therapeutic agents for PD using an integrated approach combining network pharmacology, molecular docking, and molecular dynamics (MD) simulations. Network pharmacology identified PI3Kγ and JAK2 as the top two key receptors involved in PD, with compound P23 targeting these proteins effectively. Molecular docking revealed that compound P23 exhibited strong binding affinity with both the 7Q7I (JAK2 tyrosine kinase receptor) and 7R9V (PI3Kγ complex) proteins, with docking scores of −9.5 kcal/mol and −9.7 kcal/mol, respectively, surpassing the co-crystallized ligands and reference drugs. MD simulations (200 ns) demonstrated the stability and flexibility of the protein-ligand complexes, and MM/GBSA calculations confirmed the strong binding interactions of compound P23. The results suggest that pyrimidine derivatives could modulate key signaling pathways associated with PD, offering a promising avenue for the development of novel PD therapies.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102390"},"PeriodicalIF":3.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928268","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 : 2026-01-02DOI: 10.1016/j.jics.2025.102397
Rajkumar Manna , Samaresh Ghosh , Swapan Dey
This article describes the use of dithia-aza bearing epoxy-based oligomer (EO) 1 as stabilizer to synthesize silver nanoparticles (EO-AgNPs) 2 and evaluated as nanosensor for Hg2+ ions. 2 was characterized using several methods including FTIR, UV–visible spectroscopy, TEM, and DLS. UV–vis spectroscopy reveals a surface plasmon resonance absorption band at 423 nm. Tansmission electron microscopy (TEM) reveals the presence of spherical AgNPs with an average diameter of 3.94 nm. 2 exhibits the colorimetric sensing and selective detection of Hg2+ ions over other metal ions including Fe3+, Cu2+, Zn2+, Co2+, Ni2+, Mg2+, Sr2+, Pb2+, Ca2+, Cd2+, and Hg2+ ions.
{"title":"Epoxy-based oligomer-stabilized silver nanoparticles for colorimetric sensing of Mercury(II) ions","authors":"Rajkumar Manna , Samaresh Ghosh , Swapan Dey","doi":"10.1016/j.jics.2025.102397","DOIUrl":"10.1016/j.jics.2025.102397","url":null,"abstract":"<div><div>This article describes the use of dithia-aza bearing epoxy-based oligomer (EO) <strong>1</strong> as stabilizer to synthesize silver nanoparticles (EO-AgNPs) <strong>2</strong> and evaluated as nanosensor for Hg<sup>2+</sup> ions. <strong>2</strong> was characterized using several methods including FTIR, UV–visible spectroscopy, TEM, and DLS. UV–vis spectroscopy reveals a surface plasmon resonance absorption band at 423 nm. Tansmission electron microscopy (TEM) reveals the presence of spherical AgNPs with an average diameter of 3.94 nm. <strong>2</strong> exhibits the colorimetric sensing and selective detection of Hg<sup>2+</sup> ions over other metal ions including Fe<sup>3+</sup>, Cu<sup>2+</sup>, Zn<sup>2+</sup>, Co<sup>2+</sup>, Ni<sup>2+</sup>, Mg<sup>2+</sup>, Sr<sup>2+</sup>, Pb<sup>2+</sup>, Ca<sup>2+</sup>, Cd<sup>2+</sup>, and Hg<sup>2+</sup> ions.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102397"},"PeriodicalIF":3.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928364","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 : 2026-01-02DOI: 10.1016/j.jics.2026.102399
Priya Nikkam , Jayappa Manjanna , Manohar Rathod
In this study we have explored the usage of metal complex functionalized naturally occurring smectite clay minerals as solid acid catalyst for the preparation of substituted isoxazol scaffolds. The solid acid catalyst was prepared by modifying Cu(II)-montmorillonite through in-situ complexation of interlayer Cu(II) ions with thiourea by solid state method, and then heated to different temperatures (up to 500 0C). These samples were characterized by XRD, FT-IR, TG/DTA, SEM and UV-DRS techniques, which have confirmed the successful preparation of new series of solid acid catalysts. These catalysts were used for the synthesis of substituted isoxazol scaffolds through the cyclocondensation reaction of ethyl acetoacetate, hydroxylamine hydrochloride with various aldehydes. The catalyst obtained at 300 0C demonstrated the magnificent catalytic performance, affording 96 % yield at mild reaction conditions, due to enhanced acidity which facilitate to transfer the proton during reaction. The increased Brønsted acidity and the ability to control reaction selectivity potentially improved the overall catalytic activity. The reusability and stability of the catalyst were also evaluated. About 75 % yield was obtained even after 4th cycle of catalyst usage. The purity of obtained products were confirmed by 1H NMR, 13C NMR, LCMS and FT-IR analysis. Thus, the developed novel catalyst offers promising strategy for environmentally benign catalytic process.
{"title":"Synthesis of 3-substituted 4-arylmethylidene isoxazol-5(4H)-ones derivatives by using Cu-pillared-montmorillonite as heterogeneous solid acid catalyst","authors":"Priya Nikkam , Jayappa Manjanna , Manohar Rathod","doi":"10.1016/j.jics.2026.102399","DOIUrl":"10.1016/j.jics.2026.102399","url":null,"abstract":"<div><div>In this study we have explored the usage of metal complex functionalized naturally occurring smectite clay minerals as solid acid catalyst for the preparation of substituted isoxazol scaffolds. The solid acid catalyst was prepared by modifying Cu(II)-montmorillonite through in-situ complexation of interlayer Cu(II) ions with thiourea by solid state method, and then heated to different temperatures (up to 500 <sup>0</sup>C). These samples were characterized by XRD, FT-IR, TG/DTA, SEM and UV-DRS techniques, which have confirmed the successful preparation of new series of solid acid catalysts. These catalysts were used for the synthesis of substituted isoxazol scaffolds through the cyclocondensation reaction of ethyl acetoacetate, hydroxylamine hydrochloride with various aldehydes. The catalyst obtained at 300 <sup>0</sup>C demonstrated the magnificent catalytic performance, affording 96 % yield at mild reaction conditions, due to enhanced acidity which facilitate to transfer the proton during reaction. The increased Brønsted acidity and the ability to control reaction selectivity potentially improved the overall catalytic activity. The reusability and stability of the catalyst were also evaluated. About 75 % yield was obtained even after 4th cycle of catalyst usage. The purity of obtained products were confirmed by <sup>1</sup>H NMR, <sup>13</sup>C NMR, LCMS and FT-IR analysis. Thus, the developed novel catalyst offers promising strategy for environmentally benign catalytic process.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102399"},"PeriodicalIF":3.4,"publicationDate":"2026-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928366","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 : 2026-01-01DOI: 10.1016/j.jics.2025.102382
Attaullah Khan , Fazal Haq , Mehwish Kiran , Muhammad Haroon , Tariq Aziz , Sahid Mehmood
A novel bio-based adsorbent, corn starch grafted polyacrylic acid ([email protected]), was synthesized via free radical polymerization using potassium persulfate (KPS) as an initiator. The grafting yield and efficiency were recorded as 190 % and 76 %, respectively. FT-IR, 1H NMR, XRD, SEM, and TGA analyses confirmed successful grafting, structural modification, and enhanced surface roughness. The adsorbent's performance was evaluated for methylene blue (MLB) removal from aqueous solution. Under optimized conditions (pH 7.4, 25 °C, 20 min contact time, 20 ppm dye concentration, and 50 mg adsorbent dose), [email protected] achieved a high removal efficiency of 96.1 %.
Kinetic modeling followed the pseudo-second-order model (R2 0.998), confirming a chemisorption process, while equilibrium data fitted well with the Langmuir model (R2 0.997), indicating monolayer adsorption. Thermodynamic parameters (ΔH° 32.14 kJ/mol, ΔG° −5.69 to −9.51 kJ/mol) revealed that the adsorption was spontaneous and endothermic. Density Functional Theory (DFT) analysis showed strong hydrogen bonding interactions (bond distances 1.52–1.72 Å; binding energies −22.89 to −23.67 kcal/mol) between MLB and [email protected], corroborating the experimental mechanism. Furthermore, the adsorbent retained 85.4 % efficiency after five reuse cycles, demonstrating excellent reusability and cost-effectiveness.
Overall, [email protected] presents a sustainable, biodegradable, and highly efficient material for cationic dye removal, offering a promising eco-friendly alternative for wastewater remediation applications.
{"title":"Eco-friendly corn starch-based polyacrylic acid adsorbent: Experimental and DFT insights into efficient methylene blue removal from water","authors":"Attaullah Khan , Fazal Haq , Mehwish Kiran , Muhammad Haroon , Tariq Aziz , Sahid Mehmood","doi":"10.1016/j.jics.2025.102382","DOIUrl":"10.1016/j.jics.2025.102382","url":null,"abstract":"<div><div>A novel bio-based adsorbent, corn starch grafted polyacrylic acid (<span><span><span>[email protected]</span></span><svg><path></path></svg></span>), was synthesized via free radical polymerization using potassium persulfate (KPS) as an initiator. The grafting yield and efficiency were recorded as 190 % and 76 %, respectively. FT-IR, <sup>1</sup>H NMR, XRD, SEM, and TGA analyses confirmed successful grafting, structural modification, and enhanced surface roughness. The adsorbent's performance was evaluated for methylene blue (MLB) removal from aqueous solution. Under optimized conditions (pH 7.4, 25 °C, 20 min contact time, 20 ppm dye concentration, and 50 mg adsorbent dose), <span><span><span>[email protected]</span></span><svg><path></path></svg></span> achieved a high removal efficiency of 96.1 %.</div><div>Kinetic modeling followed the pseudo-second-order model (R<sup>2</sup> 0.998), confirming a chemisorption process, while equilibrium data fitted well with the Langmuir model (R<sup>2</sup> 0.997), indicating monolayer adsorption. Thermodynamic parameters (ΔH° 32.14 kJ/mol, ΔG° −5.69 to −9.51 kJ/mol) revealed that the adsorption was spontaneous and endothermic. Density Functional Theory (DFT) analysis showed strong hydrogen bonding interactions (bond distances 1.52–1.72 Å; binding energies −22.89 to −23.67 kcal/mol) between MLB and <span><span><span>[email protected]</span></span><svg><path></path></svg></span>, corroborating the experimental mechanism. Furthermore, the adsorbent retained 85.4 % efficiency after five reuse cycles, demonstrating excellent reusability and cost-effectiveness.</div><div>Overall, <span><span><span>[email protected]</span></span><svg><path></path></svg></span> presents a sustainable, biodegradable, and highly efficient material for cationic dye removal, offering a promising eco-friendly alternative for wastewater remediation applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102382"},"PeriodicalIF":3.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880838","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 : 2026-01-01DOI: 10.1016/j.jics.2025.102389
Ritu Seth, Priya Singh, Ajeet Singh
This research work explores the electronic and photophysical properties of the N(5)-ethyl-flavinium cation (Et-Fl+) and its derivatives, modified with different substituents on the iso-alloxazine ring. The reference (1) and designed molecules (2–11) exhibit absorption in the visible region (414–584 nm) which infer that such molecules have potential for activation in visible region. HOMO–LUMO energy gap values ranging from 2.69 eV (2) to 1.54 eV (11), such with the reduced gap indicating towards the suitability for hydrogen production. These findings were further supported by frontier molecular orbital (FMO), density of states (DOS) and transition density matrix (TDM) analyses which indicate that molecule 11 as the most promising candidate. Calculations were performed by using density functional theory (DFT) using B3LYP/6-31+G(d,p) for ground-state optimization and time-dependent DFT (TD-DFT) for excited-state simulations.
本研究探讨了异丙嗪环上不同取代基修饰的N(5)-乙基-黄离子（Et-Fl+）及其衍生物的电子和光物理性质。参考文献(1)和设计的分子（2-11）在可见区（414-584 nm）表现出吸收，这表明这些分子在可见区具有活化的潜力。HOMO-LUMO的能隙值在2.69 eV (2) ~ 1.54 eV（11）之间，能隙越小，越适合制氢。前沿分子轨道（FMO）、态密度（DOS）和跃迁密度矩阵（TDM）分析进一步支持了这些发现，表明分子11是最有希望的候选分子。计算采用密度泛函理论（DFT），基态优化采用B3LYP/6-31+G(d,p)，激发态模拟采用时变DFT （TD-DFT）。
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Pub Date : 2026-01-01DOI: 10.1016/j.jics.2025.102365
K. Jeyasubramanian, S. Parani Bramma Nayagi, B. Thangagiri, S. Malathi Devi
A facile strategy adopted to separate petroleum oil dispersed in water using a superoleophilic adsorbent is reported. Normally, superhydrophobic materials are superoleophilic; one such a material was developed using a naturally available betel nut (Areca catechu) husk fiber using copper stearate (CuSt2) dissolved in a toluene solution. The copper stearate used in this study was prepared using a wet chemical method. The physical characteristics and surface topography of the fibers with and without low surface energy CuSt2 were explored using FTIR, XRD, and SEM with EDX. The water contact angle of the fiber after surface modification was measured using water contact angle goniometer as 157.1°. Because of its high water repellency, the superhydrophobic betel nut husk (SHBNH) obviously exhibits superoleophilic nature. Such unparalleled properties of the surface-modified fiber were practically tested against the oil removal from an artificially prepared oil–water mixture obtained by mixing varying amounts of Two-stroke engine oil, popularly called 2T oil, with distilled water. On suspending 0.5 g of SHBNH fiber in a water–oil mixture, oil was absorbed by the SHBNH, leaving pure water as an oil-free liquid. All these quantitative analyses were spectrophotometrically evaluated employing a UV–Vis spectrophotometer. As the colored constituents present in the 2T-oil show a distinct peak in the visible region (513 nm), but they do not show any characteristic peak corresponding to the λmax = 513 nm, confirming the 100 % removal of SHBNH fiber; such constituents can be used as a better adsorbent for the removal of oil from water in a real-time applications in future.
报道了一种利用超亲油吸附剂分离分散在水中的石油的简便方法。通常，超疏水材料是超亲油的；其中一种这样的材料是用天然可用的槟榔（槟榔）外壳纤维和溶解在甲苯溶液中的硬脂酸铜（CuSt2）开发的。本研究采用湿化学法制备硬脂酸铜。利用FTIR、XRD、SEM和EDX分析了低表面能CuSt2和不含低表面能CuSt2纤维的物理特性和表面形貌。用水接触角测角仪测得表面改性后纤维的水接触角为157.1°。超疏水性槟榔壳（SHBNH）由于具有较高的拒水性，表现出明显的超亲油性质。通过将不同量的二冲程发动机油（通常称为2T油）与蒸馏水混合而成的人工制备的油水混合物，对这种表面改性纤维的这种无与伦比的性能进行了实际测试。将0.5 g SHBNH纤维悬浮在水-油混合物中，油被SHBNH吸收，留下纯水作为无油液体。所有这些定量分析均采用紫外-可见分光光度计进行分光光度测定。由于2t -油中存在的有色成分在可见光区（513 nm）有一个明显的峰，但在λmax = 513 nm处没有出现任何特征峰，证实了SHBNH纤维100%脱除；在未来的实时应用中，这些组分可以作为较好的吸附剂从水中去除油。
{"title":"Efficient removal of artificial petroleum fraction from aqueous system by surface modified, superhydrophobic, cum superoleophilic natural betel nut husk fiber","authors":"K. Jeyasubramanian, S. Parani Bramma Nayagi, B. Thangagiri, S. Malathi Devi","doi":"10.1016/j.jics.2025.102365","DOIUrl":"10.1016/j.jics.2025.102365","url":null,"abstract":"<div><div>A facile strategy adopted to separate petroleum oil dispersed in water using a superoleophilic adsorbent is reported. Normally, superhydrophobic materials are superoleophilic; one such a material was developed using a naturally available betel nut (<em>Areca catechu</em>) husk fiber using copper stearate (CuSt<sub>2</sub>) dissolved in a toluene solution. The copper stearate used in this study was prepared using a wet chemical method. The physical characteristics and surface topography of the fibers with and without low surface energy CuSt<sub>2</sub> were explored using FTIR, XRD, and SEM with EDX. The water contact angle of the fiber after surface modification was measured using water contact angle goniometer as 157.1°. Because of its high water repellency, the superhydrophobic betel nut husk (SHBNH) obviously exhibits superoleophilic nature. Such unparalleled properties of the surface-modified fiber were practically tested against the oil removal from an artificially prepared oil–water mixture obtained by mixing varying amounts of Two-stroke engine oil, popularly called 2T oil, with distilled water. On suspending 0.5 g of SHBNH fiber in a water–oil mixture, oil was absorbed by the SHBNH, leaving pure water as an oil-free liquid. All these quantitative analyses were spectrophotometrically evaluated employing a UV–Vis spectrophotometer. As the colored constituents present in the 2T-oil show a distinct peak in the visible region (513 nm), but they do not show any characteristic peak corresponding to the <em>λ<sub>max</sub></em> = 513 nm, confirming the 100 % removal of SHBNH fiber; such constituents can be used as a better adsorbent for the removal of oil from water in a real-time applications in future.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102365"},"PeriodicalIF":3.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928363","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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