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}
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）。
{"title":"Designing of N-ethyl-flavinium ion derivatives for hydrogen production: A density functional study","authors":"Ritu Seth, Priya Singh, Ajeet Singh","doi":"10.1016/j.jics.2025.102389","DOIUrl":"10.1016/j.jics.2025.102389","url":null,"abstract":"<div><div>This research work explores the electronic and photophysical properties of the N(5)-ethyl-flavinium cation (Et-Fl<sup>+</sup>) and its derivatives, modified with different substituents on the iso-alloxazine ring. The reference (<strong>1</strong>) and designed molecules (<strong>2–11</strong>) 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 (<strong>2</strong>) to 1.54 eV (<strong>11</strong>), 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 <strong>11</strong> 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.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102389"},"PeriodicalIF":3.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880839","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.2025.102365
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}
Rice straw, an abundant agricultural residue in Indonesia, contains significant lignin content that can be valorized into high-value aromatic compounds. Herein, lignin isolated via alkaline delignification was subjected to oxidative depolymerization using molybdenum-based catalysts (MoO3 and MoPO) supported on ZSM-5. Structural analyses confirmed that the guaiacyl-rich, condensed nature of rice straw lignin posed inherent recalcitrance issues. Nonetheless, FTIR and GC–MS analyses of the depolymerization products confirmed the formation of carbonyl- and hydroxyl-containing aromatics, predominantly vanillin and acetovanillone. Quantitative evaluation revealed that the MoO3/ZSM-5 and MoPO/ZSM-5 catalysts achieved vanillin yields of 5.60 % and 5.64 %, respectively, substantially surpassing those of the unsupported systems. XPS analysis demonstrated that the coexistence of multiple Mo oxidation states (Mo4+/Mo5+/Mo6+) facilitated selective β–O–4 bond scission, while the zeolite supported enhanced dispersion and porosity, enabling efficient substrate–catalyst interactions. These findings establish an efficient catalytic platform for converting recalcitrant lignin into vanillin, underscoring the potential of Mo/ZSM-5 systems to advance lignin valorization within a sustainable waste-to-value framework.
{"title":"Valorization of rice straw-derived lignin into vanillin via oxidative depolymerization over Mo/ZSM-5 catalysts","authors":"Harits Atika Ariyanta , Siti Komalasari , Wirya Sarwana , Egi Agustian , Fusia Mirda Yanti , Maya Ismayati , Aurelia Cyntia Putri , Obie Farobie , Widya Fatriasari , Mahardika F. Rois","doi":"10.1016/j.jics.2025.102384","DOIUrl":"10.1016/j.jics.2025.102384","url":null,"abstract":"<div><div>Rice straw, an abundant agricultural residue in Indonesia, contains significant lignin content that can be valorized into high-value aromatic compounds. Herein, lignin isolated via alkaline delignification was subjected to oxidative depolymerization using molybdenum-based catalysts (MoO<sub>3</sub> and MoPO) supported on ZSM-5. Structural analyses confirmed that the guaiacyl-rich, condensed nature of rice straw lignin posed inherent recalcitrance issues. Nonetheless, FTIR and GC–MS analyses of the depolymerization products confirmed the formation of carbonyl- and hydroxyl-containing aromatics, predominantly vanillin and acetovanillone. Quantitative evaluation revealed that the MoO<sub>3</sub>/ZSM-5 and MoPO/ZSM-5 catalysts achieved vanillin yields of 5.60 % and 5.64 %, respectively, substantially surpassing those of the unsupported systems. XPS analysis demonstrated that the coexistence of multiple Mo oxidation states (Mo<sup>4+</sup>/Mo<sup>5+</sup>/Mo<sup>6+</sup>) facilitated selective β–O–4 bond scission, while the zeolite supported enhanced dispersion and porosity, enabling efficient substrate–catalyst interactions. These findings establish an efficient catalytic platform for converting recalcitrant lignin into vanillin, underscoring the potential of Mo/ZSM-5 systems to advance lignin valorization within a sustainable waste-to-value framework.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102384"},"PeriodicalIF":3.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880803","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.2025.102375
Abueliz Modwi , Hajo Idriss , Mohamed Ali Ben Aissa , Sulaiman Aloraini
This study evaluates the C@BaO2@TiO2 (CBOTO) nanocomposite for Cd(II) removal from aqueous solutions. CBOTO was synthesized via sonication and characterized by XRD, FTIR, BET, SEM-EDX, TEM, and XPS, confirming the intended composite and mesoporous morphology. Batch adsorption tests systematically examined the effects of pH, initial Cd(II) concentration, adsorbent dose, and contact time on the adsorption process. Equilibrium data were best described by the Freundlich model (multilayer adsorption), while the Langmuir fit yielded a maximum capacity of 472.9 mg g−1. Kinetic analysis indicated a pseudo-first-order rate law with rapid uptake to near-equilibrium (68 min). Spectroscopic and mapping evidence, including the emergence of the Cd–O band in FTIR and Cd signals identified by EDX mapping, demonstrates that Cd(II) ions interact with oxygen-containing sites on the Ti–O–Ba framework. This supports a mechanism in which Cd(II) uptake occurs primarily through electrostatic attraction between Cd (II) ions and negatively charged surface oxygen atoms, followed by surface complexation that stabilizes the adsorbed Cd(II). CBOTO retained high performance in the presence of common coexisting ions and showed good regeneration (maintaining >90 % of its initial removal efficiency over multiple adsorption–desorption cycles). These findings highlight CBOTO as a promising, fast-acting, high-capacity nanosorbent for cadmium remediation in water.
{"title":"Sweeping away Cd(II) from aquatic systems using a C@BaO2@TiO2 nanosorbent","authors":"Abueliz Modwi , Hajo Idriss , Mohamed Ali Ben Aissa , Sulaiman Aloraini","doi":"10.1016/j.jics.2025.102375","DOIUrl":"10.1016/j.jics.2025.102375","url":null,"abstract":"<div><div>This study evaluates the C@BaO<sub>2</sub>@TiO<sub>2</sub> (CBOTO) nanocomposite for Cd(II) removal from aqueous solutions. CBOTO was synthesized via sonication and characterized by XRD, FTIR, BET, SEM-EDX, TEM, and XPS, confirming the intended composite and mesoporous morphology. Batch adsorption tests systematically examined the effects of pH, initial Cd(II) concentration, adsorbent dose, and contact time on the adsorption process. Equilibrium data were best described by the Freundlich model (multilayer adsorption), while the Langmuir fit yielded a maximum capacity of <strong>472.9 mg g<sup>−1</sup></strong>. Kinetic analysis indicated a <strong>pseudo-first-order</strong> rate law with rapid uptake to near-equilibrium (<strong>68 min</strong>). Spectroscopic and mapping evidence, including the emergence of the Cd–O band in FTIR and Cd signals identified by EDX mapping, demonstrates that Cd(II) ions interact with oxygen-containing sites on the Ti–O–Ba framework. This supports a mechanism in which Cd(II) uptake occurs primarily through electrostatic attraction between Cd (II) ions and negatively charged surface oxygen atoms, followed by surface complexation that stabilizes the adsorbed Cd(II). CBOTO retained high performance in the presence of common coexisting ions and showed good regeneration (maintaining <strong>>90 %</strong> of its initial removal efficiency over multiple adsorption–desorption cycles). These findings highlight CBOTO as a promising, fast-acting, high-capacity nanosorbent for cadmium remediation in water.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102375"},"PeriodicalIF":3.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880837","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.2025.102395
Sayantan Pradhan , SK Jubayar Ahashan , Jyotirmayee Dash , Barada P. Dash
New Delhi Metallo-β-lactamase-1 (NDM-1) is a zinc-dependent β-lactamase responsible for antibiotic resistance through the hydrolysis of β-lactam antibiotics. Docking-based screening of 137 sulfonamide derivatives identified three lead compounds (M1–M3) with stronger binding affinities (−10.4 to −9.5 kcal/mol) than ampicillin (−8.6 kcal/mol). These ligands formed stable interactions with the catalytic zinc ions (ZN302 and ZN303) at the active site. Molecular dynamics simulations (200 ns) confirmed stable ligand-enzyme complexes with minimal RMSD fluctuations while HOMO-LUMO and ADMET analyses indicated favorable electronic properties and pharmacokinetics. M1-M3 therefore represent promising leads for inhibiting NDM-1-mediated antibiotic resistance. Among the identified leads, M1 exhibited the strongest binding and highest stability, emerging as the most promising inhibitor of NDM-1.
{"title":"Targeting NDM-1 through in silico approaches: Discovery of potential inhibitors to overcome antimicrobial resistance","authors":"Sayantan Pradhan , SK Jubayar Ahashan , Jyotirmayee Dash , Barada P. Dash","doi":"10.1016/j.jics.2025.102395","DOIUrl":"10.1016/j.jics.2025.102395","url":null,"abstract":"<div><div>New Delhi Metallo-β-lactamase-1 (NDM-1) is a zinc-dependent β-lactamase responsible for antibiotic resistance through the hydrolysis of β-lactam antibiotics. Docking-based screening of 137 sulfonamide derivatives identified three lead compounds (M1–M3) with stronger binding affinities (−10.4 to −9.5 kcal/mol) than ampicillin (−8.6 kcal/mol). These ligands formed stable interactions with the catalytic zinc ions (ZN302 and ZN303) at the active site. Molecular dynamics simulations (200 ns) confirmed stable ligand-enzyme complexes with minimal RMSD fluctuations while HOMO-LUMO and ADMET analyses indicated favorable electronic properties and pharmacokinetics. M1-M3 therefore represent promising leads for inhibiting NDM-1-mediated antibiotic resistance. Among the identified leads, M1 exhibited the strongest binding and highest stability, emerging as the most promising inhibitor of NDM-1.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102395"},"PeriodicalIF":3.4,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号