Pub Date : 2025-12-26DOI: 10.1016/j.jics.2025.102380
Aamal A. Al-Mutairi , Sami A. Al-Hussain , Sobhi M. Gomha , Mahmoud A. Abdelaziz , Rasha Jame , Magdi E.A. Zaki
In this study, 1,4-diaminoanthraquinone (DAAQ) was investigated as an economical and environmentally benign corrosion inhibitor for mild steel in 1 M hydrochloric acid (HCl). Weight-loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy all confirmed strong inhibition, reaching up to 95 % efficiency at 1000 ppm. The polarization results demonstrate that DAAQ acts as a mixed-type inhibitor, while EIS data reveal a substantial increase in charge-transfer resistance and the formation of a stable protective film. The adsorption behavior of DAAQ obeys the Langmuir isotherm, with a negative standard free energy of adsorption (ΔG°ads = −28.92 kJ/mol), indicating predominantly chemisorptive interactions. SEM images showed severe corrosion in the uninhibited acid, whereas the DAAQ-treated surface exhibited a smoother and more uniform morphology. EDX analysis further confirmed the presence of nitrogen-containing species and reduced chlorine levels, supporting the formation of an adherent inhibitor layer. Compared with recently reported organic and green inhibitors, DAAQ offers competitive performance, low toxicity, and a simple, cost-effective structure. These results highlight DAAQ as a promising candidate for practical corrosion mitigation in acidic industrial environments.
{"title":"Cost-effective and environmentally friendly corrosion inhibition of mild steel in HCl using 1,4-diaminoanthraquinone","authors":"Aamal A. Al-Mutairi , Sami A. Al-Hussain , Sobhi M. Gomha , Mahmoud A. Abdelaziz , Rasha Jame , Magdi E.A. Zaki","doi":"10.1016/j.jics.2025.102380","DOIUrl":"10.1016/j.jics.2025.102380","url":null,"abstract":"<div><div>In this study, 1,4-diaminoanthraquinone (DAAQ) was investigated as an economical and environmentally benign corrosion inhibitor for mild steel in 1 M hydrochloric acid (HCl). Weight-loss measurements, potentiodynamic polarization, and electrochemical impedance spectroscopy all confirmed strong inhibition, reaching up to 95 % efficiency at 1000 ppm. The polarization results demonstrate that DAAQ acts as a mixed-type inhibitor, while EIS data reveal a substantial increase in charge-transfer resistance and the formation of a stable protective film. The adsorption behavior of DAAQ obeys the Langmuir isotherm, with a negative standard free energy of adsorption (ΔG°ads = −28.92 kJ/mol), indicating predominantly chemisorptive interactions. SEM images showed severe corrosion in the uninhibited acid, whereas the DAAQ-treated surface exhibited a smoother and more uniform morphology. EDX analysis further confirmed the presence of nitrogen-containing species and reduced chlorine levels, supporting the formation of an adherent inhibitor layer. Compared with recently reported organic and green inhibitors, DAAQ offers competitive performance, low toxicity, and a simple, cost-effective structure. These results highlight DAAQ as a promising candidate for practical corrosion mitigation in acidic industrial environments.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102380"},"PeriodicalIF":3.4,"publicationDate":"2025-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-24DOI: 10.1016/j.jics.2025.102377
Congxue Tian
The sulfate process for TiO2 production faces significant efficiency losses during acid-decomposed ilmenite leaching, primarily due to unoptimized parameters and overlooked thermodynamic-economic constraints. This work establishes a response surface methodology (RSM) framework integrating: (1) suppression of premature TiOSO4 hydrolysis at temperatures >75 °C and (2) economic limitation of liquid-to-solid ratio ≤1.40 to minimize evaporative costs. Through Box-Behnken experimental design, three parameters — L/S ratio (1.00–1.40), temperature (55–75 °C), and stirring speed (200–500 rpm) — were optimized for TiO2 leaching yield. Analysis of variance revealed temperature as the statistically dominant factor (P < 0.01). The derived quadratic model (R2 = 0.986) predicted maximum yield of 95.9 % at L/S = 1.40, 74.5 °C, and 202 rpm. Experimental validation under industrially feasible conditions (L/S = 1.40, 75 °C, 200 rpm) achieved 95.9 % yield without TiO(OH)2 precipitation, confirming model robustness (|R2pred - R2adj| = 0.068 < 0.2) under hydrolysis-suppressed conditions. Compared with the unoptimized benchmark, this method significantly reduces steam consumption and inhibits the hydrolysis of TiOSO4 solution, enabling sustainable TiO2 recovery.
{"title":"Thermodynamic and economic constrained optimization of TiO2 leaching from acid-decomposed ilmenite via response surface methodology","authors":"Congxue Tian","doi":"10.1016/j.jics.2025.102377","DOIUrl":"10.1016/j.jics.2025.102377","url":null,"abstract":"<div><div>The sulfate process for TiO<sub>2</sub> production faces significant efficiency losses during acid-decomposed ilmenite leaching, primarily due to unoptimized parameters and overlooked thermodynamic-economic constraints. This work establishes a response surface methodology (RSM) framework integrating: (1) suppression of premature TiOSO<sub>4</sub> hydrolysis at temperatures >75 °C and (2) economic limitation of liquid-to-solid ratio ≤1.40 to minimize evaporative costs. Through Box-Behnken experimental design, three parameters — L/S ratio (1.00–1.40), temperature (55–75 °C), and stirring speed (200–500 rpm) — were optimized for TiO<sub>2</sub> leaching yield. Analysis of variance revealed temperature as the statistically dominant factor (P < 0.01). The derived quadratic model (R<sup>2</sup> = 0.986) predicted maximum yield of 95.9 % at L/S = 1.40, 74.5 °C, and 202 rpm. Experimental validation under industrially feasible conditions (L/S = 1.40, 75 °C, 200 rpm) achieved 95.9 % yield without TiO(OH)<sub>2</sub> precipitation, confirming model robustness (|R<sup>2</sup>pred - R<sup>2</sup>adj| = 0.068 < 0.2) under hydrolysis-suppressed conditions. Compared with the unoptimized benchmark, this method significantly reduces steam consumption and inhibits the hydrolysis of TiOSO<sub>4</sub> solution, enabling sustainable TiO<sub>2</sub> recovery.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102377"},"PeriodicalIF":3.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-24DOI: 10.1016/j.jics.2025.102370
Farag M.A. Altalbawy , Shoira Formanova , Ahmad Almalkawi , H.S. Shreenidhi , Prabhat Kumar Sahu , Jyoti Malik , D.V.S. Ravi Varma , Vatsal Jain , Ahmad Alkhayyat , Ahmad Khalid
Pesticide contamination presents a considerable threat to human health and ecosystems, and photocatalysis is commonly utilized for pesticide breakdown. This research explores the forecasting abilities of machine learning models in predicting the photodegradation of pesticides with ZnO-based photocatalysts in water. By utilizing a comprehensive dataset derived from existing literature, the key physicochemical and process parameters, including light source type, dopant-to-Zn mass ratio, pesticide concentration, solution pH, and irradiation duration, were examined. Several machine learning techniques are employed, ranging from classic models of linear regression and decision trees to advanced artificial neural networks (ANN), CatBoost, and ensemble learning strategies. The performance of the models was assessed through standard evaluation criteria, namely the coefficient of determination (R2), mean squared error (MSE), and mean relative deviation (MRD), which together provide a comprehensive measure of predictive accuracy and reliability. The results reveal that ANN and CatBoost models outperform simpler models, achieving high R2 values (0.9234 and 0.9262, respectively) and low MSEs (40.67 and 39.16). Through advanced visual techniques, it is confirmed that ANN and CatBoost exhibit superior predictive accuracy and robustness, with minimal prediction errors. Additionally, the Shapley Additive exPlanations (SHAP) method is hired to understand feature significance, revealing that irradiation duration and initial pesticide concentration are the most influential factors in photodegradation. This work provides insights into optimizing pesticide photodegradation processes and emphasizes the utility of data-driven models in environmental remediation. In practice, these models can support the design of more efficient water treatment protocols, thereby contributing to improved public health and ecological safety.
{"title":"Developing rigorous machine learning models to accurately estimate pesticide photodegradation by ZnO-based photocatalysts in water","authors":"Farag M.A. Altalbawy , Shoira Formanova , Ahmad Almalkawi , H.S. Shreenidhi , Prabhat Kumar Sahu , Jyoti Malik , D.V.S. Ravi Varma , Vatsal Jain , Ahmad Alkhayyat , Ahmad Khalid","doi":"10.1016/j.jics.2025.102370","DOIUrl":"10.1016/j.jics.2025.102370","url":null,"abstract":"<div><div>Pesticide contamination presents a considerable threat to human health and ecosystems, and photocatalysis is commonly utilized for pesticide breakdown. This research explores the forecasting abilities of machine learning models in predicting the photodegradation of pesticides with ZnO-based photocatalysts in water. By utilizing a comprehensive dataset derived from existing literature, the key physicochemical and process parameters, including light source type, dopant-to-Zn mass ratio, pesticide concentration, solution pH, and irradiation duration, were examined. Several machine learning techniques are employed, ranging from classic models of linear regression and decision trees to advanced artificial neural networks (ANN), CatBoost, and ensemble learning strategies. The performance of the models was assessed through standard evaluation criteria, namely the coefficient of determination (R<sup>2</sup>), mean squared error (MSE), and mean relative deviation (MRD), which together provide a comprehensive measure of predictive accuracy and reliability. The results reveal that ANN and CatBoost models outperform simpler models, achieving high R<sup>2</sup> values (0.9234 and 0.9262, respectively) and low MSEs (40.67 and 39.16). Through advanced visual techniques, it is confirmed that ANN and CatBoost exhibit superior predictive accuracy and robustness, with minimal prediction errors. Additionally, the Shapley Additive exPlanations (SHAP) method is hired to understand feature significance, revealing that irradiation duration and initial pesticide concentration are the most influential factors in photodegradation. This work provides insights into optimizing pesticide photodegradation processes and emphasizes the utility of data-driven models in environmental remediation. In practice, these models can support the design of more efficient water treatment protocols, thereby contributing to improved public health and ecological safety.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102370"},"PeriodicalIF":3.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145883602","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-24DOI: 10.1016/j.jics.2025.102374
Teena Saini , Jagram Meena , Manish Jain
This study presents the development of a reusable PVA/AC nanocomposite film incorporating TiO2 nanoparticles to enhance dye adsorption and photodegradation capabilities. The nanocomposites were synthesized with varying TiO2 concentrations and thoroughly characterized using FE-SEM, XRD, DLS, UV–Vis spectroscopy, FTIR, and TGA. MB, MO, and BTB were employed as representative dye pollutants. Adsorption experiments were carried out under dark conditions, followed by photodegradation studies under sunlight irradiation. Photolysis control experiments were conducted to isolate the contribution of sunlight. Structural and spectroscopic analysis validated the successful incorporation and uniform distribution of TiO2 within the PVA/AC matrix, along with significant interactions among the components and a decrease in the optical band gap. Kinetic analysis demonstrated that the adsorption process adhered to the pseudo-second-order model, whereas the photodegradation was consistent with the Langmuir-Hinshelwood mechanism. The nanocomposite containing 5 wt% TiO2 exhibited outstanding results compared to the other samples, attaining removal efficiencies of 99.31 ± 1.96 % for MB, 95.84 ± 2.55 % for MO, and 86.22 ± 2.43 % for BTB, significantly surpassing the efficiency of the unmodified PVA/AC film. The nanocomposite demonstrated considerable reusability, preserving optimal efficiency for MB during five consecutive cycles. The results support the use of PVA/AC-TiO2 nanocomposite films as efficient, sustainable materials for wastewater treatment.
{"title":"Polyvinyl alcohol nanocomposite films with activated charcoal and titanium dioxide for efficient dye removal through combined adsorption and photocatalysis","authors":"Teena Saini , Jagram Meena , Manish Jain","doi":"10.1016/j.jics.2025.102374","DOIUrl":"10.1016/j.jics.2025.102374","url":null,"abstract":"<div><div>This study presents the development of a reusable PVA/AC nanocomposite film incorporating TiO<sub>2</sub> nanoparticles to enhance dye adsorption and photodegradation capabilities. The nanocomposites were synthesized with varying TiO<sub>2</sub> concentrations and thoroughly characterized using FE-SEM, XRD, DLS, UV–Vis spectroscopy, FTIR, and TGA. MB, MO, and BTB were employed as representative dye pollutants. Adsorption experiments were carried out under dark conditions, followed by photodegradation studies under sunlight irradiation. Photolysis control experiments were conducted to isolate the contribution of sunlight. Structural and spectroscopic analysis validated the successful incorporation and uniform distribution of TiO<sub>2</sub> within the PVA/AC matrix, along with significant interactions among the components and a decrease in the optical band gap. Kinetic analysis demonstrated that the adsorption process adhered to the pseudo-second-order model, whereas the photodegradation was consistent with the Langmuir-Hinshelwood mechanism. The nanocomposite containing 5 wt% TiO<sub>2</sub> exhibited outstanding results compared to the other samples, attaining removal efficiencies of 99.31 ± 1.96 % for MB, 95.84 ± 2.55 % for MO, and 86.22 ± 2.43 % for BTB, significantly surpassing the efficiency of the unmodified PVA/AC film. The nanocomposite demonstrated considerable reusability, preserving optimal efficiency for MB during five consecutive cycles. The results support the use of PVA/AC-TiO<sub>2</sub> nanocomposite films as efficient, sustainable materials for wastewater treatment.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102374"},"PeriodicalIF":3.4,"publicationDate":"2025-12-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-23DOI: 10.1016/j.jics.2025.102368
Sudhanshu Kumar, Aman Kumar, Anamika Chaudhary, Bhawana Tripathi, Suman Kushwaha
Green synthesis offers an eco-friendly, low-energy, and hazardous waste-free alternative by employing benign solvents and minimizing environmental impact. In this study, different concentration of Dioscorea alata juice was applied to act as natural capping and reducing agent to control growth of particles ( NPs) via a green synthesis route. The synthesized nanoparticles (NPs) were thoroughly investigated using several possible techniques: ultraviolet–visible (UV–Vis) spectroscopy to evaluate their optical properties; X-ray diffraction (XRD) for crystallographic analysis; scanning electron microscopy (SEM) to inspect nanoparticle morphology; transmission electron microscopy (TEM) for detailed particle size and structural nature; and atomic force microscopy (AFM) to assess the surface roughness of thin films. XRD analysis suspected the formation of the anatase phase of , while SEM, TEM, and AFM revealed the nanoparticle morphology. Brunauer–Emmett–Teller (BET) analysis indicates increased surface extent as well as pore size, which along with reduced particle size (10–20 nm), expanded band gap, and enhanced dye loading capacity, contributed to improved performance of DSSC. For DSSC fabrication, various concentrations of Dioscorea alata-mediated nanoparticles were transformed into a white paste using surfactant (Triton X-100). The paste was coated onto conducting substrate (FTO) using the commonly used doctor blade technique and lastly annealed (for 1 h at 450 °C). The thinfilm were sensitized by soaking them in N719 dye solution (24 h) under the dark condition for complete dye adsorption. The DSSC assembled with synthesized from the DSSC/DA2 (50 % extract) showed of 9.88 mA/cm2, of 670 mV, of 0.67, and η = 4.40 %. The enhanced photocurrent observed in the DSSC/DA2 device can be ascribed to the increased specific surface area of the TiO2 nanoparticles. This larger surface area enables greater dye adsorption, leading to improved light harvesting. Furthermore, the increased number of surface active sites promote more efficient photochemical reactions and facilitates better separation and transport of charge carriers, thereby minimizing recombination losses.
{"title":"Bio-mediated preparation of nano TiO2: Application as photoanode in DSSCs","authors":"Sudhanshu Kumar, Aman Kumar, Anamika Chaudhary, Bhawana Tripathi, Suman Kushwaha","doi":"10.1016/j.jics.2025.102368","DOIUrl":"10.1016/j.jics.2025.102368","url":null,"abstract":"<div><div>Green synthesis offers an eco-friendly, low-energy, and hazardous waste-free alternative by employing benign solvents and minimizing environmental impact. In this study, different concentration of <em>Dioscorea alata</em> juice was applied to act as natural capping and reducing agent to control growth of particles (<span><math><mrow><msub><mtext>TiO</mtext><mn>2</mn></msub></mrow></math></span> NPs) via a green synthesis route. The synthesized<span><math><mrow><msub><mtext>TiO</mtext><mn>2</mn></msub></mrow></math></span> nanoparticles (NPs) were thoroughly investigated using several possible techniques: ultraviolet–visible (UV–Vis) spectroscopy to evaluate their optical properties; X-ray diffraction (XRD) for crystallographic analysis; scanning electron microscopy (SEM) to inspect nanoparticle morphology; transmission electron microscopy (TEM) for detailed particle size and structural nature; and atomic force microscopy (AFM) to assess the surface roughness of thin films. XRD analysis suspected the formation of the anatase phase of <span><math><mrow><msub><mtext>TiO</mtext><mn>2</mn></msub></mrow></math></span>, while SEM, TEM, and AFM revealed the nanoparticle morphology. Brunauer–Emmett–Teller (BET) analysis indicates increased surface extent as well as pore size, which along with reduced particle size (10–20 nm), expanded band gap, and enhanced dye loading capacity, contributed to improved performance of DSSC. For DSSC fabrication, various concentrations of <em>Dioscorea alata</em>-mediated <span><math><mrow><msub><mtext>TiO</mtext><mn>2</mn></msub></mrow></math></span> nanoparticles were transformed into a white paste using surfactant (Triton X-100). The paste was coated onto conducting substrate (FTO) using the commonly used doctor blade technique and lastly annealed (for 1 h at 450 °C). The <span><math><mrow><msub><mtext>TiO</mtext><mn>2</mn></msub></mrow></math></span> thinfilm were sensitized by soaking them in N719 dye solution (24 h) under the dark condition for complete dye adsorption. The DSSC assembled with <span><math><mrow><msub><mtext>TiO</mtext><mn>2</mn></msub></mrow></math></span> synthesized from the DSSC/DA2 (50 % extract) showed <span><math><mrow><msub><mi>J</mi><mrow><mi>S</mi><mi>C</mi></mrow></msub></mrow></math></span> of 9.88 mA/cm<sup>2</sup>, <span><math><mrow><msub><mi>V</mi><mrow><mi>O</mi><mi>C</mi></mrow></msub></mrow></math></span> of 670 mV, <span><math><mrow><mi>F</mi><mi>F</mi></mrow></math></span> of 0.67, and <em>η</em> = 4.40 %. The enhanced photocurrent observed in the DSSC/DA2 device can be ascribed to the increased specific surface area of the TiO<sub>2</sub> nanoparticles. This larger surface area enables greater dye adsorption, leading to improved light harvesting. Furthermore, the increased number of surface active sites promote more efficient photochemical reactions and facilitates better separation and transport of charge carriers, thereby minimizing recombination losses.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102368"},"PeriodicalIF":3.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-23DOI: 10.1016/j.jics.2025.102363
Kaliappan Tamilselvan, Arputharaj Samson Nesaraj
A simple hydrothermal approach was employed to synthesize Fe and Ni co-doped SrCoO3 (SrCo1-x-yFexNiyO3-δ (SCFN); where x, y = 0.05, 0.10, 0.15, 0.20, 0.25) cathode nanocrystals for low-temperature solid oxide fuel cell (LT-SOFC) applications. The structural and compositional characteristics of the formulated nanoceramic particles were systematically examined using TGA, XRD, FTIR, EDAX, SEM, and HR-TEM. TGA corroborated the formation of the perovskite phase above 700 °C. XRD analysis verified the development of a cubic crystalline structure, while FTIR spectra confirmed metal-oxygen (M − O) bonding characteristic of the perovskite framework. EDAX and elemental mapping demonstrated that the SCFN nanoparticles exhibited the expected chemical composition, high purity, and uniform dopant distribution. SEM and HR-TEM images revealed pebble-like, porous nanosized grains, suggesting a high surface area advantageous for electrochemical activity. Impedance and dielectric studies were conducted on sintered SCFN specimens in air over a temperature varied from room temperature up to 540 °C. The electrical conductivity of the cathodes increased progressively with temperature, reaching a maximum of 0.3108 S cm−1 for SCFN III at 540 °C, demonstrating an activation energy of 0.57 eV. Additionally, the dielectric constant increased with temperature across different frequency ranges, indicating enhanced polarization at elevated temperatures. These results demonstrate that Fe and Ni co-doped SrCoO3 compositions possess excellent electrical conductivity, thermal stability, and dielectric performance, highlighting their potential as efficient cathode materials for LTSOFC applications.
采用简单的水热法合成了Fe和Ni共掺杂SrCoO3 (SrCo1-x-yFexNiyO3-δ (SCFN))；其中x， y = 0.05, 0.10, 0.15, 0.20, 0.25)阴极纳米晶体用于低温固体氧化物燃料电池（LT-SOFC）应用。采用TGA、XRD、FTIR、EDAX、SEM、HR-TEM等手段对所制备纳米陶瓷的结构和组成进行了系统表征。TGA证实钙钛矿相在700℃以上形成。XRD分析证实了立方晶体结构的形成，FTIR光谱证实了钙钛矿框架的金属-氧（M−O）键合特性。EDAX和元素映射表明，SCFN纳米颗粒具有预期的化学成分、高纯度和均匀的掺杂分布。SEM和HR-TEM图像显示卵石状多孔纳米颗粒，表明高表面积有利于电化学活性。阻抗和介电研究进行了烧结的SCFN样品在空气中的温度变化从室温到540°C。阴极的电导率随温度升高而逐渐增加，SCFN III在540℃时达到最大值0.3108 S cm−1，活化能为0.57 eV。此外，在不同频率范围内，介电常数随温度升高而增加，表明温度升高时极化增强。这些结果表明，Fe和Ni共掺杂的SrCoO3组合物具有优异的导电性、热稳定性和介电性能，突出了它们作为LTSOFC高效正极材料的潜力。
{"title":"Pebble-like porous nanostructured Fe and Ni Co-doped SrCoO3 cathodes: Structural, surface, and functional evaluation for low-temperature SOFCs","authors":"Kaliappan Tamilselvan, Arputharaj Samson Nesaraj","doi":"10.1016/j.jics.2025.102363","DOIUrl":"10.1016/j.jics.2025.102363","url":null,"abstract":"<div><div>A simple hydrothermal approach was employed to synthesize Fe and Ni co-doped SrCoO<sub>3</sub> (SrCo<sub>1-x-y</sub>Fe<sub>x</sub>Ni<sub>y</sub>O<sub>3-δ</sub> (SCFN); where x, y = 0.05, 0.10, 0.15, 0.20, 0.25) cathode nanocrystals for low-temperature solid oxide fuel cell (LT-SOFC) applications. The structural and compositional characteristics of the formulated nanoceramic particles were systematically examined using TGA, XRD, FTIR, EDAX, SEM, and HR-TEM. TGA corroborated the formation of the perovskite phase above 700 °C. XRD analysis verified the development of a cubic crystalline structure, while FTIR spectra confirmed metal-oxygen (M − O) bonding characteristic of the perovskite framework. EDAX and elemental mapping demonstrated that the SCFN nanoparticles exhibited the expected chemical composition, high purity, and uniform dopant distribution. SEM and HR-TEM images revealed pebble-like, porous nanosized grains, suggesting a high surface area advantageous for electrochemical activity. Impedance and dielectric studies were conducted on sintered SCFN specimens in air over a temperature varied from room temperature up to 540 °C. The electrical conductivity of the cathodes increased progressively with temperature, reaching a maximum of 0.3108 S cm<sup>−1</sup> for SCFN III at 540 °C, demonstrating an activation energy of 0.57 eV. Additionally, the dielectric constant increased with temperature across different frequency ranges, indicating enhanced polarization at elevated temperatures. These results demonstrate that Fe and Ni co-doped SrCoO<sub>3</sub> compositions possess excellent electrical conductivity, thermal stability, and dielectric performance, highlighting their potential as efficient cathode materials for LTSOFC applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102363"},"PeriodicalIF":3.4,"publicationDate":"2025-12-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837787","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-22DOI: 10.1016/j.jics.2025.102373
Asma S. Al-Wasidi , Ehab A. Abdelrahman
Crystal violet is extensively applied in industrial and biomedical applications but poses serious risks to humans and ecosystems due to its cytotoxic, mutagenic, and carcinogenic effects as well as its persistence in aquatic environments. To address this challenge, BaAl2O4/MgO/BaCO3 nanocomposites were synthesized via a facile Pechini sol–gel process at 500 °C (MBA500) as well as 700 °C (MBA700) for the effective remediation of crystal violet dye pollutant from aqueous solutions. X-ray diffraction (XRD) confirmed the average crystallite sizes of 55.8 nm for MBA500 and 68.3 nm for MBA700, demonstrating grain growth at higher temperature. Energy-dispersive X-ray spectroscopy (EDS) showed compositional differences, with MBA700 displaying higher oxygen and barium contents and reduced magnesium due to enhanced crystallization and partial decarbonation. Field-emission scanning electron microscopy (FE-SEM) demonstrated predominantly spherical grains with average grain sizes of 77.4 nm for MBA500 and 88.4 nm for MBA700, while high-resolution transmission electron microscopy (HR-TEM) proved near-spherical particles with average diameters of 19.2 nm and 57.6 nm, respectively. Notably, the MBA500 sample demonstrated a higher maximum adsorption capacity (377.36 mg/g) than MBA700 (303.03 mg/g), confirming that the lower calcination temperature produced a more efficient adsorbent. Thermodynamic analysis established that the adsorption is spontaneous, exothermic, and dominated by physical interactions. Kinetic modeling confirmed strong agreement with the pseudo-first-order model, while equilibrium results matched perfectly with the Langmuir isotherm, proposing monolayer adsorption on homogeneous active positions. Furthermore, both nanocomposites retained prolonged reusability over multiple regeneration cycles utilizing 2 M HCl as eluent, confirming their excellent reusability.
{"title":"Pechini derived novel nanocomposites for efficient and reusable crystal violet dye remediation","authors":"Asma S. Al-Wasidi , Ehab A. Abdelrahman","doi":"10.1016/j.jics.2025.102373","DOIUrl":"10.1016/j.jics.2025.102373","url":null,"abstract":"<div><div>Crystal violet is extensively applied in industrial and biomedical applications but poses serious risks to humans and ecosystems due to its cytotoxic, mutagenic, and carcinogenic effects as well as its persistence in aquatic environments. To address this challenge, BaAl<sub>2</sub>O<sub>4</sub>/MgO/BaCO<sub>3</sub> nanocomposites were synthesized via a facile Pechini sol–gel process at 500 °C (MBA500) as well as 700 °C (MBA700) for the effective remediation of crystal violet dye pollutant from aqueous solutions. X-ray diffraction (XRD) confirmed the average crystallite sizes of 55.8 nm for MBA500 and 68.3 nm for MBA700, demonstrating grain growth at higher temperature. Energy-dispersive X-ray spectroscopy (EDS) showed compositional differences, with MBA700 displaying higher oxygen and barium contents and reduced magnesium due to enhanced crystallization and partial decarbonation. Field-emission scanning electron microscopy (FE-SEM) demonstrated predominantly spherical grains with average grain sizes of 77.4 nm for MBA500 and 88.4 nm for MBA700, while high-resolution transmission electron microscopy (HR-TEM) proved near-spherical particles with average diameters of 19.2 nm and 57.6 nm, respectively. Notably, the MBA500 sample demonstrated a higher maximum adsorption capacity (377.36 mg/g) than MBA700 (303.03 mg/g), confirming that the lower calcination temperature produced a more efficient adsorbent. Thermodynamic analysis established that the adsorption is spontaneous, exothermic, and dominated by physical interactions. Kinetic modeling confirmed strong agreement with the pseudo-first-order model, while equilibrium results matched perfectly with the Langmuir isotherm, proposing monolayer adsorption on homogeneous active positions. Furthermore, both nanocomposites retained prolonged reusability over multiple regeneration cycles utilizing 2 M HCl as eluent, confirming their excellent reusability.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102373"},"PeriodicalIF":3.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837791","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-22DOI: 10.1016/j.jics.2025.102364
Nurşen Dere , Murat Yolcu
In this study, a new all-solid-state polyvinylchloride (PVC)-membrane ketotifen (KTF)-selective potentiometric microsensor was developed. Ketotifen-tetraphenylborate (KTF-TPB) ion-pair was synthesized as ionophore substances in the PVC-membrane structure of the microsensor. The microsensor exhibited a Nernstian response with a slope of 59.3 ± 0.7 mV/decade (R2 = 0.9998) across a wide concentration range of 10−6 to 10−2 mol L−1 for ketotifen fumarate. The detection limit was determined to be 5.25 × 10−7 mol L−1, confirming that reliable measurements can be made even at low concentrations. The sensor's fast response time (≤10 s) and long-term stability (up to 7 weeks) were observed, demonstrating its suitability for practical use in routine analyses. Furthermore, the microsensor's optimum performance over the pH range of 4.0–8.0 and the temperature range of 15–50 °C demonstrates its stability over a wide range of operating conditions. The developed microsensor was successfully applied for the potentiometric determination of ketotifen in pharmaceutical formulations, offering a reliable alternative for analytical applications.
{"title":"Development of a novel all-solid-state PVC-membrane potentiometric microsensor for the determination of ketotifen","authors":"Nurşen Dere , Murat Yolcu","doi":"10.1016/j.jics.2025.102364","DOIUrl":"10.1016/j.jics.2025.102364","url":null,"abstract":"<div><div>In this study, a new all-solid-state polyvinylchloride (PVC)-membrane ketotifen (KTF)-selective potentiometric microsensor was developed. Ketotifen-tetraphenylborate (KTF-TPB) ion-pair was synthesized as ionophore substances in the PVC-membrane structure of the microsensor. The microsensor exhibited a Nernstian response with a slope of 59.3 ± 0.7 mV/decade (R<sup>2</sup> = 0.9998) across a wide concentration range of 10<sup>−6</sup> to 10<sup>−2</sup> mol L<sup>−1</sup> for ketotifen fumarate. The detection limit was determined to be 5.25 × 10<sup>−7</sup> mol L<sup>−1</sup>, confirming that reliable measurements can be made even at low concentrations. The sensor's fast response time (≤10 s) and long-term stability (up to 7 weeks) were observed, demonstrating its suitability for practical use in routine analyses. Furthermore, the microsensor's optimum performance over the pH range of 4.0–8.0 and the temperature range of 15–50 °C demonstrates its stability over a wide range of operating conditions. The developed microsensor was successfully applied for the potentiometric determination of ketotifen in pharmaceutical formulations, offering a reliable alternative for analytical applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102364"},"PeriodicalIF":3.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-22DOI: 10.1016/j.jics.2025.102367
Ekramul Kabir , Mamataj Khatun
This study presents a comprehensive first-principles investigation, grounded in density functional theory, to elucidate the influence of halogen doping (Cl, F, and I) on the structural, electronic, and optical properties of the organic ferroelectric crystal diisopropylammonium bromide. The optimized structural parameters reveal that substitutional doping introduces significant lattice distortions, influencing both the unit cell volume and bond angles. Analysis of the electronic structure shows that halogen doping modulates the band gap: F-doping leads to a pronounced widening, enhancing insulating behavior, whereas I-doping causes a narrowing of the band gap, suggesting potential for semiconducting applications. Calculations of optical properties demonstrate improved tunability in the UV–visible range, particularly in F and I doped systems, indicating promising prospects for nonlinear optical and optoelectronic device applications. The frontier molecular orbital (HOMO–LUMO) distribution shifts with doping, reflecting altered charge transfer characteristics. These findings provide valuable insights into molecular engineering strategies for organic ferroelectric crystals through atomic-scale modifications.
{"title":"First-principles investigation of halogen doping effects on the structural, electronic, and optical properties of diisopropylammonium bromide","authors":"Ekramul Kabir , Mamataj Khatun","doi":"10.1016/j.jics.2025.102367","DOIUrl":"10.1016/j.jics.2025.102367","url":null,"abstract":"<div><div>This study presents a comprehensive first-principles investigation, grounded in density functional theory, to elucidate the influence of halogen doping (Cl, F, and I) on the structural, electronic, and optical properties of the organic ferroelectric crystal diisopropylammonium bromide. The optimized structural parameters reveal that substitutional doping introduces significant lattice distortions, influencing both the unit cell volume and bond angles. Analysis of the electronic structure shows that halogen doping modulates the band gap: F-doping leads to a pronounced widening, enhancing insulating behavior, whereas I-doping causes a narrowing of the band gap, suggesting potential for semiconducting applications. Calculations of optical properties demonstrate improved tunability in the UV–visible range, particularly in F and I doped systems, indicating promising prospects for nonlinear optical and optoelectronic device applications. The frontier molecular orbital (HOMO–LUMO) distribution shifts with doping, reflecting altered charge transfer characteristics. These findings provide valuable insights into molecular engineering strategies for organic ferroelectric crystals through atomic-scale modifications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102367"},"PeriodicalIF":3.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837461","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-22DOI: 10.1016/j.jics.2025.102369
Nada S. Al-Kadhi , Ehab A. Abdelrahman , Reem K. Shah
Basic red 46 dye, extensively utilized in the textile industry, poses significant environmental and health threats owing to its high chemical stability, persistence, and toxicity. In this study, novel MgAl0.42Cr1.58O4@C nanocomposites were fabricated via a facile Pechini sol-gel approach at calcination temperatures of 600 and 800 °C, producing MAC600 and MAC800, respectively, to achieve effective elimination of basic red 46 dye from aquatic solutions. X-ray diffraction analysis (XRD) illustrated the occurrence of a cubic crystal arrangement, presenting mean crystallite sizes of 12.5 nm concerning MAC600 and 32.3 nm concerning MAC800, reflecting enhanced crystal growth at higher calcination temperature. Energy-dispersive X-ray spectroscopy (EDX) revealed that MAC600 contained 9.2 % C, 51.4 % O, 15.3 % Mg, 10.6 % Al, and 13.5 % Cr, while MAC800 exhibited slightly higher metal content due to more complete decomposition of organics. Field emission scanning electron microscopy (FE-SEM) images showed that MAC600 had a porous morphology with spherical voids, whereas MAC800 presented denser agglomerates with reduced porosity. High-resolution transmission electron microscope (HR-TEM) images confirmed well-dispersed spherical nanoparticles demonstrating average diameters of 6.25 nm regarding MAC600 and 25.94 nm regarding MAC800. The highest sorption capabilities obtained were 432.90 mg/g concerning MAC600 and 276.24 mg/g concerning MAC800, outperforming other adsorbents reported in the literature. Thermodynamic studies confirmed the exothermic, spontaneous, and physisorptive nature of the adsorption, while kinetic and isotherm modeling showed that adsorption adhered to the pseudo-first-order model and fit well with the Langmuir isotherm. The nanocomposites also demonstrated excellent regeneration and reusability, retaining high adsorption efficiency over multiple adsorption–desorption cycles.
{"title":"Efficient basic red 46 dye removal using smart novel nanocomposite","authors":"Nada S. Al-Kadhi , Ehab A. Abdelrahman , Reem K. Shah","doi":"10.1016/j.jics.2025.102369","DOIUrl":"10.1016/j.jics.2025.102369","url":null,"abstract":"<div><div>Basic red 46 dye, extensively utilized in the textile industry, poses significant environmental and health threats owing to its high chemical stability, persistence, and toxicity. In this study, novel MgAl<sub>0.42</sub>Cr<sub>1.58</sub>O<sub>4</sub>@C nanocomposites were fabricated via a facile Pechini sol-gel approach at calcination temperatures of 600 and 800 °C, producing MAC600 and MAC800, respectively, to achieve effective elimination of basic red 46 dye from aquatic solutions. X-ray diffraction analysis (XRD) illustrated the occurrence of a cubic crystal arrangement, presenting mean crystallite sizes of 12.5 nm concerning MAC600 and 32.3 nm concerning MAC800, reflecting enhanced crystal growth at higher calcination temperature. Energy-dispersive X-ray spectroscopy (EDX) revealed that MAC600 contained 9.2 % C, 51.4 % O, 15.3 % Mg, 10.6 % Al, and 13.5 % Cr, while MAC800 exhibited slightly higher metal content due to more complete decomposition of organics. Field emission scanning electron microscopy (FE-SEM) images showed that MAC600 had a porous morphology with spherical voids, whereas MAC800 presented denser agglomerates with reduced porosity. High-resolution transmission electron microscope (HR-TEM) images confirmed well-dispersed spherical nanoparticles demonstrating average diameters of 6.25 nm regarding MAC600 and 25.94 nm regarding MAC800. The highest sorption capabilities obtained were 432.90 mg/g concerning MAC600 and 276.24 mg/g concerning MAC800, outperforming other adsorbents reported in the literature. Thermodynamic studies confirmed the exothermic, spontaneous, and physisorptive nature of the adsorption, while kinetic and isotherm modeling showed that adsorption adhered to the pseudo-first-order model and fit well with the Langmuir isotherm. The nanocomposites also demonstrated excellent regeneration and reusability, retaining high adsorption efficiency over multiple adsorption–desorption cycles.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102369"},"PeriodicalIF":3.4,"publicationDate":"2025-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837789","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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