The widespread presence of uranium in aquifers around the globe is a major health concern. The present study reports the efficacy of synthetic un-calcined hydroxyapatite (HAP) for removing uranium (U(VI)) from groundwater. Experiments were conducted to evaluate U(VI) interaction with aqueous calcium and phosphate resulting from HAP's partial dissolution in water. It was observed that the presence of U(VI) in HAP suspension led to reduced concentrations of aqueous phosphate and calcium ions compared to when U(VI) was absent. Thus, indicating the formation of U(VI) insoluble complexes with aqueous calcium and phosphate. X-ray diffraction spectra of uranium-laden HAP also indicated the precipitation of autunite (Ca(UO2)2(PO4)2·xH2O) mineral. Subsequent investigations into the effect of HAP's calcination demonstrated that the uranium uptake capacity of HAP reduced by 20 % after calcination at 800 °C. The higher uptake capacity of un-calcined HAP is attributed to the removal mechanism, which involves both, U(VI) adsorption and the co-precipitation of U(VI) insoluble complexes. The kinetic study revealed that uranium uptake by un-calcined HAP was quick, around 97 % removal was obtained within 30 min of contact time. The maximum U(VI) uptake capacity of un-calcined HAP was 11.11 mg U/g HAP. The presence of bicarbonate and calcium significantly reduced the uranium uptake capacity due to the formation tertiary soluble complexes. The results suggest that un-calcined HAP is a more effective option for Uranium removal compared to energy-intensive calcined HAP.
{"title":"Co-precipitation assisted uranium (VI) uptake by synthetic un-calcined hydroxyapatite: A comprehensive analysis of removal mechanism","authors":"Aparna Edakkattillam, Sanjay Singh , Sanjeev Chaudhari","doi":"10.1016/j.jics.2026.102448","DOIUrl":"10.1016/j.jics.2026.102448","url":null,"abstract":"<div><div>The widespread presence of uranium in aquifers around the globe is a major health concern. The present study reports the efficacy of synthetic un-calcined hydroxyapatite (HAP) for removing uranium (U(VI)) from groundwater. Experiments were conducted to evaluate U(VI) interaction with aqueous calcium and phosphate resulting from HAP's partial dissolution in water. It was observed that the presence of U(VI) in HAP suspension led to reduced concentrations of aqueous phosphate and calcium ions compared to when U(VI) was absent. Thus, indicating the formation of U(VI) insoluble complexes with aqueous calcium and phosphate. X-ray diffraction spectra of uranium-laden HAP also indicated the precipitation of autunite (Ca(UO<sub>2</sub>)<sub>2</sub>(PO<sub>4</sub>)<sub>2</sub>·xH<sub>2</sub>O) mineral. Subsequent investigations into the effect of HAP's calcination demonstrated that the uranium uptake capacity of HAP reduced by 20 % after calcination at 800 °C. The higher uptake capacity of un-calcined HAP is attributed to the removal mechanism, which involves both, U(VI) adsorption and the co-precipitation of U(VI) insoluble complexes. The kinetic study revealed that uranium uptake by un-calcined HAP was quick, around 97 % removal was obtained within 30 min of contact time. The maximum U(VI) uptake capacity of un-calcined HAP was 11.11 mg U/g HAP. The presence of bicarbonate and calcium significantly reduced the uranium uptake capacity due to the formation tertiary soluble complexes. The results suggest that un-calcined HAP is a more effective option for Uranium removal compared to energy-intensive calcined HAP.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102448"},"PeriodicalIF":3.4,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171692","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}
This study investigates the electrochemical influence of phosphate concentration on the mechanisms governing phosphate removal by fly ash as a low-cost sorbent. Batch experiments were conducted using 1 g of fly ash in 100 mL aqueous Na3PO4 solutions with initial phosphate concentrations ranging from 20 to 100 mg/L under alkaline conditions at 24 °C. The phosphate removal efficiency reached approximately 93 % at 20 mg/L and decreased to about 30 % at 100 mg/L, concomitant with a pronounced pH decrease from ≈10 to ≈6. Combined UV–visible spectrophotometry, ICP-OES, and electrochemical impedance spectroscopy (EIS) analyses demonstrated that phosphate elimination proceeds via a coupled adsorption-precipitation mechanism. Before fly ash addition, the impedance response was governed by a single Cole-Cole relaxation associated with bulk electrolyte behavior and diffusion. After fly ash incorporation, three distinct Cole-Cole relaxation processes were resolved, corresponding to low-frequency interfacial polarization, medium-frequency adsorption-controlled processes, and high-frequency rapid precipitation. Quantitative analysis showed that the high-frequency relaxation time τz-HF decreases sharply as phosphate concentration increases from 20 to 60 mg/L and then approaches a plateau up to 100 mg/L, whereas the medium-frequency relaxation time τz-MF increases approximately linearly over the same concentration range. The strong correlation between τz-HF and phosphate removal efficiency η (%) indicates that precipitation kinetics dominate phosphate immobilization, with adsorption acting as a secondary, diffusion-limited process.
{"title":"Electrochemical impedance spectroscopy investigation of adsorption-precipitation mechanisms governing phosphate removal by fly ash","authors":"Hilmi Dalal , Zaim Soumia , Mortadi Abdelhadi , Rchid Halima , Nmila Rachid , El Moznine Reddad","doi":"10.1016/j.jics.2026.102460","DOIUrl":"10.1016/j.jics.2026.102460","url":null,"abstract":"<div><div>This study investigates the electrochemical influence of phosphate concentration on the mechanisms governing phosphate removal by fly ash as a low-cost sorbent. Batch experiments were conducted using 1 g of fly ash in 100 mL aqueous Na<sub>3</sub>PO<sub>4</sub> solutions with initial phosphate concentrations ranging from 20 to 100 mg/L under alkaline conditions at 24 °C. The phosphate removal efficiency reached approximately 93 % at 20 mg/L and decreased to about 30 % at 100 mg/L, concomitant with a pronounced pH decrease from ≈10 to ≈6. Combined UV–visible spectrophotometry, ICP-OES, and electrochemical impedance spectroscopy (EIS) analyses demonstrated that phosphate elimination proceeds via a coupled adsorption-precipitation mechanism. Before fly ash addition, the impedance response was governed by a single Cole-Cole relaxation associated with bulk electrolyte behavior and diffusion. After fly ash incorporation, three distinct Cole-Cole relaxation processes were resolved, corresponding to low-frequency interfacial polarization, medium-frequency adsorption-controlled processes, and high-frequency rapid precipitation. Quantitative analysis showed that the high-frequency relaxation time τ<sub>z-HF</sub> decreases sharply as phosphate concentration increases from 20 to 60 mg/L and then approaches a plateau up to 100 mg/L, whereas the medium-frequency relaxation time τ<sub>z-MF</sub> increases approximately linearly over the same concentration range. The strong correlation between τ<sub>z-HF</sub> and phosphate removal efficiency η (%) indicates that precipitation kinetics dominate phosphate immobilization, with adsorption acting as a secondary, diffusion-limited process.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102460"},"PeriodicalIF":3.4,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171656","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 : 2026-01-29DOI: 10.1016/j.jics.2026.102453
E. Danladi , L.F. Koao , T.E. Motaung , S.V. Motloung
The Cs2AgBiBr6 double halide perovskite has catered for the problem related with lead toxicity and stability in perovskite solar cells (PSCs). Unfortunately, the unstable hole transport layer (HTL) such as spiro-OMeTAD, limited diffusion length of charge carriers, introduced interface defects, and inferior hole extraction capability results to poor performance. In this work, we presented, a simplified design and modeling of an improved stable HTL-free perovskite solar cells with Li+ and Na+ co-doped Cs2AgBiBr6-based absorber. Guided by solar capacitance simulation software (SCAPS-1D), this present work examined the performance of PSCs with both Cs2AgBiBr6 and Cs1·96Li0·01Na0·03AgBiBr6 absorbing material. The Cs2AgBiBr6-based device gave an open circuit voltage (Voc), short circuit current density (Jsc), fill factor (FF) and power conversion efficiency (PCE) of 0.31V, 9.19 mA/cm2, 68.15% and 1.97%, while the Cs1·96Li0·01Na0·03AgBiBr6 device presents 0.76 V, 10.53 mA/cm2, 70.54% and 5.63% as Voc, Jsc, FF and PCE. This shows that Cs1·96Li0·01Na0·03AgBiBr6-based device was more promising. The performance of the FTO/TiO2/Cs1·96Li0·01Na0·03AgBiBr6/C device was optimized by varying the ETL thickness and doping concentration, perovskite thickness and doping concentration, perovskite defect density and band gap to obtain 0.02 μm, 1017 cm−3, 1.4 μm, 1018 cm−3, and 1012 cm−2, and 1.45eV optimal values. The values were used to obtain an optimized value with the following performance; PCE = 24.33%, supported with FF of 87.34%, Jsc of 25.83 mA/cm2 and Voc of 1.08 V. The effect of series resistance, shunt resistance, work function of back contact, temperature and light intensity were evaluated. At higher work function (say WF = 5.9 eV for Se), a PCE of ∼30% was obtained with corresponding FF of ∼84 %, Jsc of ∼30 mA/cm2 and Voc of 1.2 V. By successfully controlling defect states and improving device performance through co-doping of the absorber layer, the results open the door for the design of an advanced, high-efficiency, and reasonably low PSC with HTL elimination.
{"title":"Defect control and performance optimization in Li+/Na+ Co-doped HTL-free Cs2AgBiBr6 double perovskite solar cells: Toward an efficient HTL-free architecture","authors":"E. Danladi , L.F. Koao , T.E. Motaung , S.V. Motloung","doi":"10.1016/j.jics.2026.102453","DOIUrl":"10.1016/j.jics.2026.102453","url":null,"abstract":"<div><div>The Cs<sub>2</sub>AgBiBr<sub>6</sub> double halide perovskite has catered for the problem related with lead toxicity and stability in perovskite solar cells (PSCs). Unfortunately, the unstable hole transport layer (HTL) such as spiro-OMeTAD, limited diffusion length of charge carriers, introduced interface defects, and inferior hole extraction capability results to poor performance. In this work, we presented, a simplified design and modeling of an improved stable HTL-free perovskite solar cells with Li<sup>+</sup> and Na<sup>+</sup> co-doped Cs<sub>2</sub>AgBiBr<sub>6</sub>-based absorber. Guided by solar capacitance simulation software (SCAPS-1D), this present work examined the performance of PSCs with both Cs<sub>2</sub>AgBiBr<sub>6</sub> and Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub> absorbing material. The Cs<sub>2</sub>AgBiBr<sub>6</sub>-based device gave an open circuit voltage (<em>V</em><sub>oc</sub>), short circuit current density (<em>J</em><sub>sc</sub>), fill factor (FF) and power conversion efficiency (PCE) of 0.31V, 9.19 mA/cm<sup>2</sup>, 68.15% and 1.97%, while the Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub> device presents 0.76 V, 10.53 mA/cm<sup>2</sup>, 70.54% and 5.63% as <em>V</em><sub>oc</sub>, <em>J</em><sub>sc</sub>, FF and PCE. This shows that Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub>-based device was more promising. The performance of the FTO/TiO<sub>2</sub>/Cs<sub>1</sub><sub>·</sub><sub>96</sub>Li<sub>0</sub><sub>·</sub><sub>01</sub>Na<sub>0</sub><sub>·</sub><sub>03</sub>AgBiBr<sub>6</sub>/C device was optimized by varying the ETL thickness and doping concentration, perovskite thickness and doping concentration, perovskite defect density and band gap to obtain 0.02 μm, 10<sup>17</sup> cm<sup>−3</sup>, 1.4 μm, 10<sup>18</sup> cm<sup>−3</sup>, and 10<sup>12</sup> cm<sup>−2</sup>, and 1.45eV optimal values. The values were used to obtain an optimized value with the following performance; PCE = 24.33%, supported with FF of 87.34%, <em>J</em><sub>sc</sub> of 25.83 mA/cm<sup>2</sup> and <em>V</em><sub>oc</sub> of 1.08 V. The effect of series resistance, shunt resistance, work function of back contact, temperature and light intensity were evaluated. At higher work function (say <em>W</em><sub>F</sub> = 5.9 eV for Se), a PCE of ∼30% was obtained with corresponding FF of ∼84 %, <em>J</em><sub>sc</sub> of ∼30 mA/cm<sup>2</sup> and <em>V</em><sub>oc</sub> of 1.2 V. By successfully controlling defect states and improving device performance through co-doping of the absorber layer, the results open the door for the design of an advanced, high-efficiency, and reasonably low PSC with HTL elimination.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102453"},"PeriodicalIF":3.4,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081500","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 : 2026-01-29DOI: 10.1016/j.jics.2026.102455
Yantong Wang , Muyessar Mamatzunun , Patiman A
Plasma stealth has emerged as a promising approach for electromagnetic wave attenuation due to its broadband absorption capability and structural flexibility. In this work, a comprehensive numerical evaluation of electromagnetic (EM) wave–plasma interaction in an ellipsoidally distributed inductively coupled plasma (ICP) is presented using COMSOL Multiphysics. Unlike conventional planar or cylindrical ICP configurations, the ellipsoidal geometry introduces spatially varying curvature that fundamentally alters electromagnetic field localization, plasma density evolution, and resistive loss behavior. The temporal evolution of key plasma parameters, including electric field/potential, electron density, electron temperature, and resistive loss, is examined under GHz-band incident electromagnetic waves. The results show that electron density enhances over time and concentrates near the center of the ellipsoidal plasma, leading to enhanced resistive loss and electromagnetic attenuation, while electron temperature gradually decreases. The strong electric field distribution within the ellipsoidal plasma produces pronounced wave distortion effects, which can result in apparent displacement of reflected electromagnetic signals. These findings demonstrate that ellipsoidal ICP geometry offers distinct electromagnetic interaction characteristics compared with conventional geometries and provides useful insights for the design and optimization of plasma-based stealth and electromagnetic attenuation systems.
{"title":"Simulation of electromagnetic wave–plasma interactions in ellipsoidal inductively coupled plasma","authors":"Yantong Wang , Muyessar Mamatzunun , Patiman A","doi":"10.1016/j.jics.2026.102455","DOIUrl":"10.1016/j.jics.2026.102455","url":null,"abstract":"<div><div>Plasma stealth has emerged as a promising approach for electromagnetic wave attenuation due to its broadband absorption capability and structural flexibility. In this work, a comprehensive numerical evaluation of electromagnetic (EM) wave–plasma interaction in an ellipsoidally distributed inductively coupled plasma (ICP) is presented using COMSOL Multiphysics. Unlike conventional planar or cylindrical ICP configurations, the ellipsoidal geometry introduces spatially varying curvature that fundamentally alters electromagnetic field localization, plasma density evolution, and resistive loss behavior. The temporal evolution of key plasma parameters, including electric field/potential, electron density, electron temperature, and resistive loss, is examined under GHz-band incident electromagnetic waves. The results show that electron density enhances over time and concentrates near the center of the ellipsoidal plasma, leading to enhanced resistive loss and electromagnetic attenuation, while electron temperature gradually decreases. The strong electric field distribution within the ellipsoidal plasma produces pronounced wave distortion effects, which can result in apparent displacement of reflected electromagnetic signals. These findings demonstrate that ellipsoidal ICP geometry offers distinct electromagnetic interaction characteristics compared with conventional geometries and provides useful insights for the design and optimization of plasma-based stealth and electromagnetic attenuation systems.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102455"},"PeriodicalIF":3.4,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171663","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 : 2026-01-29DOI: 10.1016/j.jics.2026.102456
Jessica I. Lozano-Navarro , Arturo Palacio-Pérez , Edgardo J. Suárez-Domínguez , Josué F. Pérez-Sánchez , Nancy P. Díaz-Zavala , Alejandro Rodríguez-Valdés , Jonathan Hernández-García , Laura I. Montoya Ortiz
Extra-heavy crude presents high viscosity and a considerable percentage of asphaltenes that cause problems during production and transportation, such as clogging pipes and superior requirements of pumping energy. In the last decades, its production was increased, and the use of substances that improve its flow was demanded. It is important to find new green/renewable/accessible compounds that allow viscosity reduction and substitute toxic modifiers such as toluene, naphtha, xylene, heptane, methanol, etc. This study synthesized new common geranium (Pelargonium hortorum) extracts using ethanol and the Soxhlet method. The extracts were used in concentrations of 10, 15, and 20 % (w/v), and their effects on the viscosity of a Mexican extra-heavy crude (Altamira 8° API blend) were analyzed through rheological tests. To understand the mechanisms implied in the viscosity reduction phenomena, GC-MS studies and phytochemical analyses of the extracts were carried out in order to know their main compounds. Also, asphaltenes flocculation, Fourier Transform Infrared Spectroscopy analysis (FTIR), hydrogen potential (pH), total dissolved solids (TDS), and electrical conductivity (EC) tests were performed. The research results propose further investigation with Pelargonium species to present brand-new alternative viscosity reducers with easy, cheap, and effective performance.
{"title":"Extra-heavy crude oil viscosity modifiers derived from common geranium extracts and their characterization","authors":"Jessica I. Lozano-Navarro , Arturo Palacio-Pérez , Edgardo J. Suárez-Domínguez , Josué F. Pérez-Sánchez , Nancy P. Díaz-Zavala , Alejandro Rodríguez-Valdés , Jonathan Hernández-García , Laura I. Montoya Ortiz","doi":"10.1016/j.jics.2026.102456","DOIUrl":"10.1016/j.jics.2026.102456","url":null,"abstract":"<div><div>Extra-heavy crude presents high viscosity and a considerable percentage of asphaltenes that cause problems during production and transportation, such as clogging pipes and superior requirements of pumping energy. In the last decades, its production was increased, and the use of substances that improve its flow was demanded. It is important to find new green/renewable/accessible compounds that allow viscosity reduction and substitute toxic modifiers such as toluene, naphtha, xylene, heptane, methanol, etc. This study synthesized new common geranium (<em>Pelargonium hortorum</em>) extracts using ethanol and the Soxhlet method. The extracts were used in concentrations of 10, 15, and 20 % (w/v), and their effects on the viscosity of a Mexican extra-heavy crude (Altamira 8° API blend) were analyzed through rheological tests. To understand the mechanisms implied in the viscosity reduction phenomena, GC-MS studies and phytochemical analyses of the extracts were carried out in order to know their main compounds. Also, asphaltenes flocculation, Fourier Transform Infrared Spectroscopy analysis (FTIR), hydrogen potential (pH), total dissolved solids (TDS), and electrical conductivity (EC) tests were performed. The research results propose further investigation with Pelargonium species to present brand-new alternative viscosity reducers with easy, cheap, and effective performance.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102456"},"PeriodicalIF":3.4,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171659","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 : 2026-01-28DOI: 10.1016/j.jics.2026.102452
Fatma İrem Şahin , Yiğitalp Okumuş , Nil Acaralı
The present study focused on the development and balanced in-range displacement optimization of multifunctional epoxy-based hybrid coatings reinforced with graphene, boron carbide, zinc borate, and organic fibers. A Box-Behnken experimental design was applied to evaluate the individual and interactive effects of additive ratios on displacement behaviour under three-point bending. The primary objective was to maintain stable mechanical performance by keeping displacement within an application driven target window rather than maximizing/minimizing a single metric. A total of 29 experimental runs were conducted with four variables at three levels. The optimum formulation was determined with nano additives as 0.5 wt% graphene, 0.5 wt% B4C, 1.0 wt% zinc borate, and 0.5 wt% organic fiber. The model showed high predictive reliability with R2 = 0.9926, adjusted R2 = 0.9852, and predicted R2 = 0.9685. Thermal analysis via TG-DTA demonstrated that the optimized coating exhibited a main degradation point at 317 °C. FT-IR analysis confirmed the chemical integration of the additives through characteristic peaks. SEM images showed a homogeneously dispersed microstructure with minimal agglomeration. These results indicated that the proposed composite system delivers balanced displacement within the target range while preserving load support and structural integrity, together with improved thermal stability, providing an opportunity for high performance engineering applications.
{"title":"Displacement behaviour in nano-modified epoxy coatings: A Box-Behnken approach","authors":"Fatma İrem Şahin , Yiğitalp Okumuş , Nil Acaralı","doi":"10.1016/j.jics.2026.102452","DOIUrl":"10.1016/j.jics.2026.102452","url":null,"abstract":"<div><div>The present study focused on the development and balanced in-range displacement optimization of multifunctional epoxy-based hybrid coatings reinforced with graphene, boron carbide, zinc borate, and organic fibers. A Box-Behnken experimental design was applied to evaluate the individual and interactive effects of additive ratios on displacement behaviour under three-point bending. The primary objective was to maintain stable mechanical performance by keeping displacement within an application driven target window rather than maximizing/minimizing a single metric. A total of 29 experimental runs were conducted with four variables at three levels. The optimum formulation was determined with nano additives as 0.5 wt% graphene, 0.5 wt% B<sub>4</sub>C, 1.0 wt% zinc borate, and 0.5 wt% organic fiber. The model showed high predictive reliability with R<sup>2</sup> = 0.9926, adjusted R<sup>2</sup> = 0.9852, and predicted R<sup>2</sup> = 0.9685. Thermal analysis via TG-DTA demonstrated that the optimized coating exhibited a main degradation point at 317 °C. FT-IR analysis confirmed the chemical integration of the additives through characteristic peaks. SEM images showed a homogeneously dispersed microstructure with minimal agglomeration. These results indicated that the proposed composite system delivers balanced displacement within the target range while preserving load support and structural integrity, together with improved thermal stability, providing an opportunity for high performance engineering applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102452"},"PeriodicalIF":3.4,"publicationDate":"2026-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081498","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 : 2026-01-27DOI: 10.1016/j.jics.2026.102446
Boshen Wang, Jihong Fu, Jun Tang, Haipeng Zhang, Junli Yu, Qichao Wu, Mengdie Li
Sunflower seed meal is a rich source of chlorogenic acid (CGA). In this work, the conductor-like screening model for realistic solvation (COSMO-RS) was used to assist in identifying the optimal natural deep eutectic solvents (NADESs) for the extraction of CGA from the sunflower seed meal. A total of 20 hydrogen bond donors (HBDs) and 10 hydrogen bond acceptors (HBAs) at different molar ratios resulting in 600 NADESs were screened via the COSMO-RS model by calculating the infinite dilution activity coefficients of CGA. The results showed that the solvent composed of choline chloride (ChCl) and urea at a molar ratio of 2:1 had the highest extraction rate of 25.92 mg g−1 for CGA. Additionally, ChCl-Urea (2:1) was chosen as the solvent in response surface methodology (RSM) to optimize the microwave assisted NADES extraction parameters, including liquid-solid ratio, microwave power, temperature and irradiation time, yielding a CGA content of 26.39 mg g−1. Furthermore, the antioxidant activities of the CGA extract using NADES were determined, which exhibited better DPPH, ABTS radicals scavenging abilities and ferric reducing antioxidant power (FRAP). Therefore, COSMO-RS and RSM can serve as effective techniques for screening NADESs and optimizing extraction processes, thereby expanding the application potential of NADES in extracting various bioactive compounds.
{"title":"Microwave assisted extraction of chlorogenic acid from sunflower seed meal using natural deep eutectic solvent based on COSMO-RS design","authors":"Boshen Wang, Jihong Fu, Jun Tang, Haipeng Zhang, Junli Yu, Qichao Wu, Mengdie Li","doi":"10.1016/j.jics.2026.102446","DOIUrl":"10.1016/j.jics.2026.102446","url":null,"abstract":"<div><div>Sunflower seed meal is a rich source of chlorogenic acid (CGA). In this work, the conductor-like screening model for realistic solvation (COSMO-RS) was used to assist in identifying the optimal natural deep eutectic solvents (NADESs) for the extraction of CGA from the sunflower seed meal. A total of 20 hydrogen bond donors (HBDs) and 10 hydrogen bond acceptors (HBAs) at different molar ratios resulting in 600 NADESs were screened via the COSMO-RS model by calculating the infinite dilution activity coefficients of CGA. The results showed that the solvent composed of choline chloride (ChCl) and urea at a molar ratio of 2:1 had the highest extraction rate of 25.92 mg g<sup>−1</sup> for CGA. Additionally, ChCl-Urea (2:1) was chosen as the solvent in response surface methodology (RSM) to optimize the microwave assisted NADES extraction parameters, including liquid-solid ratio, microwave power, temperature and irradiation time, yielding a CGA content of 26.39 mg g<sup>−1</sup>. Furthermore, the antioxidant activities of the CGA extract using NADES were determined, which exhibited better DPPH, ABTS radicals scavenging abilities and ferric reducing antioxidant power (FRAP). Therefore, COSMO-RS and RSM can serve as effective techniques for screening NADESs and optimizing extraction processes, thereby expanding the application potential of NADES in extracting various bioactive compounds.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102446"},"PeriodicalIF":3.4,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081497","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 : 2026-01-27DOI: 10.1016/j.jics.2026.102445
A.N. Pérez-Jasso , G.A. Cobian-Solorio , I.A. Aguayo-Villarreal , C.K. Rojas-Mayorga , R. Muñiz-Valencia , N.E. Davila-Guzman , L.G. Silva-Vidaurri , A. Bonilla-Petriciolet
In this study, two bimetallic Metal–Organic Frameworks (MOFs) were successfully synthesized and evaluated as adsorbents for the removal of acid, basic, and reactive textile dyes from aqueous solutions. Fe–Zn MOFs (BTC and BDC) present low toxicity and are a better alternative for environmental applications. The materials were characterized by XRD, FTIR, XPS, SEM, and physisorption of N2 at 77 K, confirming their crystalline structure, surface chemistry, and textural characteristics as microporous materials. Adsorption experiments were carried out using three different dye systems, and the results revealed that both MOFs exhibited high adsorption capacities. (Fe, Zn)-BTC was the best adsorbent for BB3 (147.54 mg g−1), while (Fe, Zn)-BDC improved the adsorption of AB25 (230.08 mg g−1), and the RB4 amount adsorbed is similar in both MOFs (442.13 and 432.15 mg g−1, respectively). The enhanced adsorption of BB3 and RB4 is attributed to the synergistic interaction between the metal centers. (Fe, Zn)-BDC showed faster adsorption kinetics, while (Fe, Zn)-BTC demonstrated enhanced adsorption efficiency at high temperatures. The main adsorption mechanisms are coordination interactions, π–π stacking, and hydrogen bonding. The incorporation of two different metal centers within the same framework provides a synergistic effect, enhancing the number and diversity of adsorption sites and leading to superior adsorption performance compared to their monometallic. The study highlights the potential of bimetallic MOFs as effective and tunable materials for dye adsorption, boosting dye uptake up to 113.8 % vs monometallic.
{"title":"Bimetallic (Fe–Zn) MIL MOFs for enhanced textile dye adsorption: synthesis, characterization, and performance evaluation","authors":"A.N. Pérez-Jasso , G.A. Cobian-Solorio , I.A. Aguayo-Villarreal , C.K. Rojas-Mayorga , R. Muñiz-Valencia , N.E. Davila-Guzman , L.G. Silva-Vidaurri , A. Bonilla-Petriciolet","doi":"10.1016/j.jics.2026.102445","DOIUrl":"10.1016/j.jics.2026.102445","url":null,"abstract":"<div><div>In this study, two bimetallic Metal–Organic Frameworks (MOFs) were successfully synthesized and evaluated as adsorbents for the removal of acid, basic, and reactive textile dyes from aqueous solutions. Fe–Zn MOFs (BTC and BDC) present low toxicity and are a better alternative for environmental applications. The materials were characterized by XRD, FTIR, XPS, SEM, and physisorption of N<sub>2</sub> at 77 K, confirming their crystalline structure, surface chemistry, and textural characteristics as microporous materials. Adsorption experiments were carried out using three different dye systems, and the results revealed that both MOFs exhibited high adsorption capacities. (Fe, Zn)-BTC was the best adsorbent for BB3 (147.54 mg g<sup>−1</sup>), while (Fe, Zn)-BDC improved the adsorption of AB25 (230.08 mg g<sup>−1</sup>), and the RB4 amount adsorbed is similar in both MOFs (442.13 and 432.15 mg g<sup>−1</sup>, respectively). The enhanced adsorption of BB3 and RB4 is attributed to the synergistic interaction between the metal centers. (Fe, Zn)-BDC showed faster adsorption kinetics, while (Fe, Zn)-BTC demonstrated enhanced adsorption efficiency at high temperatures. The main adsorption mechanisms are coordination interactions, π–π stacking, and hydrogen bonding. The incorporation of two different metal centers within the same framework provides a synergistic effect, enhancing the number and diversity of adsorption sites and leading to superior adsorption performance compared to their monometallic. The study highlights the potential of bimetallic MOFs as effective and tunable materials for dye adsorption, boosting dye uptake up to 113.8 % <em>vs</em> monometallic.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102445"},"PeriodicalIF":3.4,"publicationDate":"2026-01-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171744","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}
Bacterial cellulose pellicle from Kombucha (KBC), having a β-d-glucopyranose-based linear polymer, has attracted increasing attention for its purity, crystallinity, and biocompatibility. Unlike plant cellulose, bacterial cellulose (BC) exhibits a unique nanofibrillar network structure and is used across wound healing, drug delivery, packaging, and textile applications. However, its limited mechanical strength and water resistance restrict its use in durable materials like leather. In this study, Bacterial cellulose pellicle from Kombucha was chemically modified to introduce carboxylate groups, enabling chromium coordination akin to traditional chrome-tanning of leather. This chrome-treated KBC was subjected to post-tanning and fat-liquoring treatments. The modified KBC (final) (KBC-MCA-CT) samples showed substantial amount of chromium (73.3 mg/L via ICP-MS) confirmed by XPS (578 eV for Cr 2p3/2). DSC showed thermal behavior approaching natural leather's shrinkage temperature in some cases. Tensile strength increased significantly from (approx. 3 MPa–8 MPa) post-treatment, and water vapor permeability remained comparable to some leather. The shrinkage temperature of the modified KBC (final) (KBC-MCA-CT) was greater than 100oC whereas for the chrome-tanned leather, it was observed at about 95 °C.These results suggest chrome-treated Bacterial cellulose pellicle from Kombucha as a sustainable leather-like alternative.
{"title":"Kombucha bacterial cellulose as a sustainable leather alternative via tanning-like chromium coordination and “post-tanning” treatments","authors":"Sylvia Jayashree , R.T. Birla Sheyara , Bharathkumar Gunasekaran , Debasis Samanta","doi":"10.1016/j.jics.2026.102423","DOIUrl":"10.1016/j.jics.2026.102423","url":null,"abstract":"<div><div>Bacterial cellulose pellicle from Kombucha (KBC), having a β-<span>d</span>-glucopyranose-based linear polymer, has attracted increasing attention for its purity, crystallinity, and biocompatibility. Unlike plant cellulose, bacterial cellulose (BC) exhibits a unique nanofibrillar network structure and is used across wound healing, drug delivery, packaging, and textile applications. However, its limited mechanical strength and water resistance restrict its use in durable materials like leather. In this study, Bacterial cellulose pellicle from Kombucha was chemically modified to introduce carboxylate groups, enabling chromium coordination akin to traditional chrome-tanning of leather. This chrome-treated KBC was subjected to post-tanning and fat-liquoring treatments. The modified KBC (final) (KBC-MCA-CT) samples showed substantial amount of chromium (73.3 mg/L via ICP-MS) confirmed by XPS (578 eV for Cr 2p3/2). DSC showed thermal behavior approaching natural leather's shrinkage temperature in some cases. Tensile strength increased significantly from (approx. 3 MPa–8 MPa) post-treatment, and water vapor permeability remained comparable to some leather. The shrinkage temperature of the modified KBC (final) (KBC-MCA-CT) was greater than 100<sup>o</sup>C whereas for the chrome-tanned leather, it was observed at about 95 °C.These results suggest chrome-treated Bacterial cellulose pellicle from Kombucha as a sustainable leather-like alternative.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 3","pages":"Article 102423"},"PeriodicalIF":3.4,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146171743","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 : 2026-01-22DOI: 10.1016/j.jics.2026.102439
Ali Moulahi , Safer Tale Almutairi
Innovative broad spectrum SrTi1-(x + y)GaxCuyO3 (x = y = 0.015 or 0.025) photocatalysts have been synthesized by a low-cost solid state reaction for handling of organic waste. The photocatalytic activities of the synthesized photocatalysts were evaluated through the degradation of reactive yellow 145 and methyl green dyes under natural solar irradiation. The X-ray diffraction (XRD) confirmed the cubic phase nature of SrTiO3, SrTi0.97Ga0.015Cu0·015O3 and SrTi0.95Ga0.025Cu0·025O3 powders. Due to the addition of Ga–Cu ions to SrTiO3, the grains have shown sheets structure compared to the semi-spherical shape of pure powder. The X-ray photoelectron (XPS) signals of SrTi0.95Ga0.025Cu0·025O3 powder confirmed the presence of Ti4+ and Ti3+ mixed states with formation of oxygen defects. The high resolution XPS signals of Ba, Ga and Cu elements verified the +2, +3 and + 2 valence oxidation states for their cations, respectively. After modification by Ga–Cu ions, the energy band gap of SrTiO3 material (3.21 eV) was decreased to 3 and 2.89 eV for SrTi0.97Ga0.015Cu0·015O3 and SrTi0.95Ga0.025Cu0·025O3 powders, respectively. In addition to band gap lowering, long visible light absorption tails were observed for both codoped samples, indicating a high ability for harvesting electromagnetic spectrum. The photo-removal activities of SrTi0.95Ga0.025Cu0·025O3 powder for reactive yellow 145 and methyl green dyes were 96 % and 98 % after sunlight irradiation for 30 min. According to scavenger analysis, the hydroxyl radicals paly the significant role in the removal of reactive yellow 145 and methyl green dyes.
{"title":"New visible light SrTi1-(x+y)GaxCuyO3 (x = y = 0.015 or 0.025) photocatalysts: Fast-removal of hazardous reactive yellow 145 and methyl green dyes","authors":"Ali Moulahi , Safer Tale Almutairi","doi":"10.1016/j.jics.2026.102439","DOIUrl":"10.1016/j.jics.2026.102439","url":null,"abstract":"<div><div>Innovative broad spectrum SrTi<sub>1-(x + y)</sub>Ga<sub>x</sub>Cu<sub>y</sub>O<sub>3</sub> (x = y = 0.015 or 0.025) photocatalysts have been synthesized by a low-cost solid state reaction for handling of organic waste. The photocatalytic activities of the synthesized photocatalysts were evaluated through the degradation of reactive yellow 145 and methyl green dyes under natural solar irradiation. The X-ray diffraction (XRD) confirmed the cubic phase nature of SrTiO<sub>3</sub>, SrTi<sub>0.97</sub>Ga<sub>0.015</sub>Cu<sub>0</sub><sub>·</sub><sub>015</sub>O<sub>3</sub> and SrTi<sub>0.95</sub>Ga<sub>0.025</sub>Cu<sub>0</sub><sub>·</sub><sub>025</sub>O<sub>3</sub> powders. Due to the addition of Ga–Cu ions to SrTiO<sub>3</sub>, the grains have shown sheets structure compared to the semi-spherical shape of pure powder. The X-ray photoelectron (XPS) signals of SrTi<sub>0.95</sub>Ga<sub>0.025</sub>Cu<sub>0</sub><sub>·</sub><sub>025</sub>O<sub>3</sub> powder confirmed the presence of Ti<sup>4+</sup> and Ti<sup>3+</sup> mixed states with formation of oxygen defects. The high resolution XPS signals of Ba, Ga and Cu elements verified the +2, +3 and + 2 valence oxidation states for their cations, respectively. After modification by Ga–Cu ions, the energy band gap of SrTiO<sub>3</sub> material (3.21 eV) was decreased to 3 and 2.89 eV for SrTi<sub>0.97</sub>Ga<sub>0.015</sub>Cu<sub>0</sub><sub>·</sub><sub>015</sub>O<sub>3</sub> and SrTi<sub>0.95</sub>Ga<sub>0.025</sub>Cu<sub>0</sub><sub>·</sub><sub>025</sub>O<sub>3</sub> powders, respectively. In addition to band gap lowering, long visible light absorption tails were observed for both codoped samples, indicating a high ability for harvesting electromagnetic spectrum. The photo-removal activities of SrTi<sub>0.95</sub>Ga<sub>0.025</sub>Cu<sub>0</sub><sub>·</sub><sub>025</sub>O<sub>3</sub> powder for reactive yellow 145 and methyl green dyes were 96 % and 98 % after sunlight irradiation for 30 min. According to scavenger analysis, the hydroxyl radicals paly the significant role in the removal of reactive yellow 145 and methyl green dyes.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102439"},"PeriodicalIF":3.4,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023589","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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