Pub Date : 2026-02-01Epub Date: 2026-01-03DOI: 10.1016/j.jics.2026.102410
Adyatma Bhagaskara , Dita Adi Saputra , Wega Trisunaryanti , Karna Wijaya , Kharistya Rozana , Herri Susanto , Revaldo Anugerah Putra Pradana , Hermawan Dwi Hartanto , Latifa Hanum Lalasari , Agus Budi Prasetyo
This study demonstrates a green hydrometallurgical pathway for the selective recovery of nickel (Ni) and cobalt (Co) from spent NMC cathodes using citric acid without additional reductants. The novelty lies in elucidating the dissolution mechanism through in situ Raman spectroscopy, which revealed dynamic coordination of citrate with transition metals, evolving from bidentate to bridging complexes during leaching. These real-time mechanistic insights were combined with statistical optimization using Response Surface Methodology (RSM) to establish the most influential parameters (citric acid concentration, temperature, and time) leading to high recovery efficiencies of 92.43 % Co and 81.54 % Ni under optimized conditions (1.24 M citric acid, 60 °C, 100 min, S:L = 1:25 g L−1). Complementary characterizations (XRD, FTIR, AAS, SEM, and XPS) confirmed structural characteristic changes of the cathode and selective metal dissolution. This integrated approach highlights the potential of citric acid as a sustainable leaching agent, offering mechanistic understanding and optimized performance for environmentally responsible recycling of lithium-ion batteries.
{"title":"Investigation of reaction mechanism in selective citric acid leaching of Ni and Co from NMC cathodes via real time Raman spectroscopy and RSM optimization","authors":"Adyatma Bhagaskara , Dita Adi Saputra , Wega Trisunaryanti , Karna Wijaya , Kharistya Rozana , Herri Susanto , Revaldo Anugerah Putra Pradana , Hermawan Dwi Hartanto , Latifa Hanum Lalasari , Agus Budi Prasetyo","doi":"10.1016/j.jics.2026.102410","DOIUrl":"10.1016/j.jics.2026.102410","url":null,"abstract":"<div><div>This study demonstrates a green hydrometallurgical pathway for the selective recovery of nickel (Ni) and cobalt (Co) from spent NMC cathodes using citric acid without additional reductants. The novelty lies in elucidating the dissolution mechanism through in situ Raman spectroscopy, which revealed dynamic coordination of citrate with transition metals, evolving from bidentate to bridging complexes during leaching. These real-time mechanistic insights were combined with statistical optimization using Response Surface Methodology (RSM) to establish the most influential parameters (citric acid concentration, temperature, and time) leading to high recovery efficiencies of 92.43 % Co and 81.54 % Ni under optimized conditions (1.24 M citric acid, 60 °C, 100 min, S:L = 1:25 g L<sup>−1</sup>). Complementary characterizations (XRD, FTIR, AAS, SEM, and XPS) confirmed structural characteristic changes of the cathode and selective metal dissolution. This integrated approach highlights the potential of citric acid as a sustainable leaching agent, offering mechanistic understanding and optimized performance for environmentally responsible recycling of lithium-ion batteries.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102410"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023715","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 : 2026-02-01Epub Date: 2026-01-19DOI: 10.1016/j.jics.2026.102429
Mai M. Khalaf , Mohamed Gouda , Manal F. Abou Taleb , Mahmoud A. Abdelaziz , Hany M. Abd El-Lateef
This study aims to evaluate the antimicrobial, antioxidant, and toxicological properties of a biocompatible wound dressing film composed of crude ethanolic cinnamon (CEC) extract- infused carrageenan (CAR)/polyvinyl alcohol (PVA). The CEC showed potent antibacterial activity against Pseudomonas aeruginosa (23 mm inhibition zone) and Acinetobacter baumannii (21 mm). Antioxidant activity results proved the CEC extract's free radical scavenger ability (93 % inhibition). The prepared films demonstrated wider inhibition zones than the CAR/PVA films alone, demonstrating enhanced antimicrobial activity against tested microbes. Furthermore, the inclusion of CEC in CAR/PVA films enhanced the antibacterial activity, achieving a total bacterial log reduction for MRSA and Candidaalbicans within 150 min. The results of the toxicity assessment confirmed that the films were biocompatible, with EC50% values exceeding 100. The findings of the study confirmed the promise of CEC loaded CAR/PVA films to be used as efficient biocompatible and non-toxic wound dressings.
{"title":"Development of biocompatible cinnamon extract loaded carrageenan/polyvinyl alcohol film: Antimicrobial wound dressing for skin infection control","authors":"Mai M. Khalaf , Mohamed Gouda , Manal F. Abou Taleb , Mahmoud A. Abdelaziz , Hany M. Abd El-Lateef","doi":"10.1016/j.jics.2026.102429","DOIUrl":"10.1016/j.jics.2026.102429","url":null,"abstract":"<div><div>This study aims to evaluate the antimicrobial, antioxidant, and toxicological properties of a biocompatible wound dressing film composed of crude ethanolic cinnamon (CEC) extract- infused carrageenan (CAR)/polyvinyl alcohol (PVA). The CEC showed potent antibacterial activity against <em>Pseudomonas aeruginosa</em> (23 mm inhibition zone) and <em>Acinetobacter baumannii</em> (21 mm). Antioxidant activity results proved the CEC extract's free radical scavenger ability (93 % inhibition). The prepared films demonstrated wider inhibition zones than the CAR/PVA films alone, demonstrating enhanced antimicrobial activity against tested microbes. Furthermore, the inclusion of CEC in CAR/PVA films enhanced the antibacterial activity, achieving a total bacterial log reduction for MRSA and <em>C</em><em>andida</em> <em>albicans</em> within 150 min. The results of the toxicity assessment confirmed that the films were biocompatible, with EC<sub>50</sub><sub>%</sub> values exceeding 100. The findings of the study confirmed the promise of CEC loaded CAR/PVA films to be used as efficient biocompatible and non-toxic wound dressings.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102429"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023716","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 : 2026-02-01Epub Date: 2026-01-16DOI: 10.1016/j.jics.2026.102424
A. Meena , H. Saleem , N. Shanmugam , Annamalai Senthil Kumar , M. Suganya , L. Guganathan
MnO2 composites incorporating varying amounts of cinnamon-derived activated carbon (AC) were synthesized via a hydrothermal route to develop sustainable supercapacitor electrodes. Structural analysis confirms that the incorporation of AC effectively refines the MnO2 crystallite size from 22.35 to 15.11 nm and stabilizes the electrochemically active α-MnO2 phase with oxygen-vacancy–induced defects. The oxygen-rich functional groups on the AC surface serve as nucleation and anchoring sites for Mn2+ precursors, promoting uniform growth and dispersion of MnO2 nanorods within the porous carbon matrix. The optimized composite containing 1 g AC (MC3) exhibits a high specific surface area of 509 m2 g−1 with interconnected mesoporosity, providing efficient ion diffusion and charge transport. Electrochemical studies in 2 M KOH reveal a specific capacitance of 591 F g−1 at 2 A g−1, excellent rate capability, and a high energy–power balance of 223 Wh kg−1 at 2063 W kg−1. Electrochemical impedance spectroscopy further indicates low charge-transfer resistance (7.83 Ω) and rapid relaxation dynamics (59 μs). These findings demonstrate that cinnamon-derived activated carbon serves as an effective conductive scaffold for tuning the structural and electrochemical characteristics of MnO2, offering an eco-friendly route to high-performance energy-storage materials.
通过水热法合成了含有不同量肉桂衍生活性炭(AC)的二氧化锰复合材料,以开发可持续的超级电容器电极。结构分析证实,AC的加入有效地将MnO2晶粒尺寸从22.35 nm细化到15.11 nm,并稳定了具有氧空位缺陷的电化学活性α-MnO2相。活性炭表面的富氧官能团作为Mn2+前驱体的成核和锚定位点,促进了MnO2纳米棒在多孔碳基体中的均匀生长和分散。优化后的复合材料含有1g AC (MC3),具有509 m2 g−1的高比表面积,具有相互连接的介孔,提供高效的离子扩散和电荷传输。在2 M KOH条件下的电化学研究表明,该材料在2 a g−1条件下的比电容为591 F g−1,具有优异的倍率性能,在2063 W kg−1条件下具有223 Wh kg−1的高能量-功率平衡。电化学阻抗谱进一步显示了低的电荷转移电阻(7.83 Ω)和快速的弛豫动力学(59 μs)。这些发现表明,肉桂酸衍生的活性炭作为一种有效的导电支架,可以调节二氧化锰的结构和电化学特性,为高性能储能材料提供了一条环保的途径。
{"title":"Synergistic MnO2/cinnamon-derived activated carbon composites for sustainable, high-performance supercapacitors","authors":"A. Meena , H. Saleem , N. Shanmugam , Annamalai Senthil Kumar , M. Suganya , L. Guganathan","doi":"10.1016/j.jics.2026.102424","DOIUrl":"10.1016/j.jics.2026.102424","url":null,"abstract":"<div><div>MnO<sub>2</sub> composites incorporating varying amounts of cinnamon-derived activated carbon (AC) were synthesized via a hydrothermal route to develop sustainable supercapacitor electrodes. Structural analysis confirms that the incorporation of AC effectively refines the MnO<sub>2</sub> crystallite size from 22.35 to 15.11 nm and stabilizes the electrochemically active α-MnO<sub>2</sub> phase with oxygen-vacancy–induced defects. The oxygen-rich functional groups on the AC surface serve as nucleation and anchoring sites for Mn<sup>2+</sup> precursors, promoting uniform growth and dispersion of MnO<sub>2</sub> nanorods within the porous carbon matrix. The optimized composite containing 1 g AC (MC3) exhibits a high specific surface area of 509 m<sup>2</sup> g<sup>−1</sup> with interconnected mesoporosity, providing efficient ion diffusion and charge transport. Electrochemical studies in 2 M KOH reveal a specific capacitance of 591 F g<sup>−1</sup> at 2 A g<sup>−1</sup>, excellent rate capability, and a high energy–power balance of 223 Wh kg<sup>−1</sup> at 2063 W kg<sup>−1</sup>. Electrochemical impedance spectroscopy further indicates low charge-transfer resistance (7.83 Ω) and rapid relaxation dynamics (59 μs). These findings demonstrate that cinnamon-derived activated carbon serves as an effective conductive scaffold for tuning the structural and electrochemical characteristics of MnO<sub>2</sub>, offering an eco-friendly route to high-performance energy-storage materials.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102424"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023717","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 : 2026-02-01Epub 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":"2026-02-01","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 : 2026-02-01Epub Date: 2025-12-31DOI: 10.1016/j.jics.2025.102396
Shabarish S , Tamilarasan K , Godvin Sharmila V
This study explores an energy-efficient and cost-effective method called hydrophobins-availed sonic solubilization (HSS), combined with zeolite 13X-aided anaerobic fermentation (AF) (zeolite 13X + HSS), to enhance biohydrogen production from marine macroalgae biomass (MMB), specifically Chaetomorpha antennina. Sonic solubilization (SS) was optimized by varying sonic intensity (20–70 %) and solubilization time (5–60 min). The optimum conditions—50 % intensity for 30 mins—produced a solubilized organics release (SOR) of 2710 mg/L and a solubilization efficiency (SE) of 21 %. Under these conditions, HSS was performed with hydrophobins dosages ranging from 0.0 to 4.5 g/g total solids (TS). A dosage of 1.5 g/g TS was optimal, achieving 25.5 % SE and 3300 mg/L SOR. In AF, a zeolite 13X dosage of 200 mg/g TS resulted in the highest biohydrogen yield due to the balancing capacity of adsorption, buffering, nutrient availability, and microbial attachment. HSS led to greater volatile fatty acid (VFA) production (1785 mg/L) compared to SS (824 mg/L), and a higher energy ratio (1.7 vs. 0.7). The Zeolite 13X + HSS method produced a maximum of 211 mL H2/g COD. Economically, it delivered a net profit of $112.24, surpassing Zeolite 13X + SS ($54). These findings confirm that Zeolite 13X + HSS is a superior strategy for efficient and economical biohydrogen production from MMB.
{"title":"Sequential solubilization and zeolite-assisted fermentation of macroalgae: A sustainable route for biohydrogen generation","authors":"Shabarish S , Tamilarasan K , Godvin Sharmila V","doi":"10.1016/j.jics.2025.102396","DOIUrl":"10.1016/j.jics.2025.102396","url":null,"abstract":"<div><div>This study explores an energy-efficient and cost-effective method called hydrophobins-availed sonic solubilization (HSS), combined with zeolite 13X-aided anaerobic fermentation (AF) (zeolite 13X + HSS), to enhance biohydrogen production from marine macroalgae biomass (MMB), specifically <em>Chaetomorpha antennina</em>. Sonic solubilization (SS) was optimized by varying sonic intensity (20–70 %) and solubilization time (5–60 min). The optimum conditions—50 % intensity for 30 mins—produced a solubilized organics release (SOR) of 2710 mg/L and a solubilization efficiency (SE) of 21 %. Under these conditions, HSS was performed with hydrophobins dosages ranging from 0.0 to 4.5 g/g total solids (TS). A dosage of 1.5 g/g TS was optimal, achieving 25.5 % SE and 3300 mg/L SOR. In AF, a zeolite 13X dosage of 200 mg/g TS resulted in the highest biohydrogen yield due to the balancing capacity of adsorption, buffering, nutrient availability, and microbial attachment. HSS led to greater volatile fatty acid (VFA) production (1785 mg/L) compared to SS (824 mg/L), and a higher energy ratio (1.7 vs. 0.7). The Zeolite 13X + HSS method produced a maximum of 211 mL H<sub>2</sub>/g COD. Economically, it delivered a net profit of $112.24, surpassing Zeolite 13X + SS ($54). These findings confirm that Zeolite 13X + HSS is a superior strategy for efficient and economical biohydrogen production from MMB.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102396"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928411","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 : 2026-02-01Epub Date: 2025-12-30DOI: 10.1016/j.jics.2025.102392
E. Thenpandiyan , V. Ramasamy , G. Suresh , T. Sathishpriya , S. Senthil
A series of Gd-doped CaCO3/PEG nanocomposites were successfully synthesized via a simple biomimetic route. The nanocomposites were comprehensively characterized for their structural, functional, optical, thermal, elemental, and morphological properties. FTIR (461 cm−1, Gd–O) and XRD analyses confirmed the successful incorporation of Gd3+ into the CaCO3 matrix, with crystallite sizes ranging between 29 and 23 nm. Optical studies using UV–Vis DRS and photoluminescence spectra revealed a blue shift and a gradual increase in bandgap energy (from 4.12 to 4.70 eV) with increasing Gd concentration. XPS analysis further confirmed the substitution of Gd3+ ions into the CaCO3 lattice, showing well-resolved peaks corresponding to Ca 2p, C 1s, O 1s, and Gd 4d. FE-SEM and HR-TEM imaging revealed spherical and rhombohedral-like morphologies, highlighting uniform dispersion within the PEG matrix. Among the series, the GCP1 nanocomposite demonstrated outstanding photocatalytic efficiency, achieving 86 % (k = 3.23 × 10−3min−1, and R2 = 0.9599) degradation of Methylene Blue (MB) dye within 90 min under UV irradiation. A scavenger-based trapping study was conducted to elucidate the active species involved in the degradation mechanism. In terms of biological efficacy, the GCP4 nanocomposite exhibited remarkable antibacterial activity, producing zones of inhibition of 17 mm and 13 mm against Staphylococcus aureus (Gram-positive) and Salmonella sp. (Gram-negative), respectively, at a concentration of 1000 μg/mL. Overall, the synthesized Gd-doped CaCO3/PEG nanocomposites, with tunable properties based on Gd content, show great promise as multifunctional materials for environmental remediation and antibacterial applications, supported by their efficacy, stability, and biocompatibility.
{"title":"Synergistic impact of Gd3+ doped CaCO3/PEG nanocomposites for dye degradation and antibacterial functionalities","authors":"E. Thenpandiyan , V. Ramasamy , G. Suresh , T. Sathishpriya , S. Senthil","doi":"10.1016/j.jics.2025.102392","DOIUrl":"10.1016/j.jics.2025.102392","url":null,"abstract":"<div><div>A series of Gd-doped CaCO<sub>3</sub>/PEG nanocomposites were successfully synthesized via a simple biomimetic route. The nanocomposites were comprehensively characterized for their structural, functional, optical, thermal, elemental, and morphological properties. FTIR (461 cm<sup>−1</sup>, Gd–O) and XRD analyses confirmed the successful incorporation of Gd<sup>3+</sup> into the CaCO<sub>3</sub> matrix, with crystallite sizes ranging between 29 and 23 nm. Optical studies using UV–Vis DRS and photoluminescence spectra revealed a blue shift and a gradual increase in bandgap energy (from 4.12 to 4.70 eV) with increasing Gd concentration. XPS analysis further confirmed the substitution of Gd<sup>3+</sup> ions into the CaCO<sub>3</sub> lattice, showing well-resolved peaks corresponding to Ca 2p, C 1s, O 1s, and Gd 4d. FE-SEM and HR-TEM imaging revealed spherical and rhombohedral-like morphologies, highlighting uniform dispersion within the PEG matrix. Among the series, the GCP<sub>1</sub> nanocomposite demonstrated outstanding photocatalytic efficiency, achieving 86 % (k = 3.23 × 10<sup>−3</sup>min<sup>−1</sup>, and R<sup>2</sup> = 0.9599) degradation of Methylene Blue (MB) dye within 90 min under UV irradiation. A scavenger-based trapping study was conducted to elucidate the active species involved in the degradation mechanism. In terms of biological efficacy, the GCP<sub>4</sub> nanocomposite exhibited remarkable antibacterial activity, producing zones of inhibition of 17 mm and 13 mm against <em>Staphylococcus aureus</em> (Gram-positive) and <em>Salmonella</em> sp. (Gram-negative), respectively, at a concentration of 1000 μg/mL. Overall, the synthesized Gd-doped CaCO<sub>3</sub>/PEG nanocomposites, with tunable properties based on Gd content, show great promise as multifunctional materials for environmental remediation and antibacterial applications, supported by their efficacy, stability, and biocompatibility.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102392"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023586","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}
Fusel oil (FO), an oxygenated by-product of bioethanol fermentation rich in higher alcohols and containing measurable water, is a promising renewable blending component for partial diesel substitution. This study quantifies how FO addition to commercial B7 affects combustion phasing, regulated gaseous emissions, NO/NO2 speciation, and particle number–size distributions in a stock 2.5-L turbocharged compression-ignition engine under oxygen-rich operation (EGR deactivated). Steady-state tests were conducted at 1200–2000 rpm and 25–75 % load (2000 rpm up to 50 % load) using B7, B7FO10 (10 vol% FO), and B7FO20 (20 vol% FO). In-cylinder pressure (20 cycles, ensemble-averaged) was used to derive apparent heat release rate (HRR). CO, NO, NO2, NOx, O2, and CO2 were measured using Testo 350 and HC using Horiba MEXA-441ME. Particle number–size distributions (5.6–560 nm) were measured by an EEPS (TSI 3090) under a fixed two-stage dilution protocol (DF1 = 8, DF2 = 8; DF total = 64) maintained constant for all fuels and operating points.
Uniquely, this work simultaneously reports (i) NO/NO2 partitioning and (ii) particle number–size distributions under a controlled dilution history across a systematic speed–load matrix and links these outcomes to pressure-derived combustion phasing in a stock turbocharged CI engine. FO blending consistently retarded combustion phasing, indicating longer ignition delay and a shift of heat release toward the main combustion stage, most clearly at low speed/load. The largest gaseous-emission penalties occurred at low load (25 % load): relative to B7, CO (≈100–350 ppm) increased by ∼0–30 % for B7FO10 and ∼10–60 % for B7FO20, while HC (≈5–18 ppm) increased by ∼8–100 % and ∼25–125 %, depending on speed. Total NOx remained broadly comparable to B7 (≈500–1800 ppm; typically, within ±100–300 ppm), whereas FO increased the NO2 share (NO2/NOx ≈ 2–16 %) across the matrix. Particle number increased monotonically with FO fraction and the distribution shifted toward a stronger nucleation-mode contribution (typically ∼7–30 nm), with the maximum total particle concentration reaching 5.6 × 107 cm−3 at 2000 rpm and 50 % load for B7FO20 within the tested window. Overall, FO enables partial diesel substitution with limited change in total NOx but increases ultrafine particle number, highlighting a number–size trade-off that should be evaluated alongside conventional mass-based PM indicators and motivates future chemical characterization of organic-rich nanoparticles.
{"title":"Impact of biodiesel and fusel oil blends on exhaust gas and particulate emissions in a diesel engine","authors":"Pichitpon Neamyou , Pomprab Sriumpunpuk , Jerameth Yodsakul , Nataphon Phupewkeaw , Xun Shen , Punya Promhuad , Warirat Temwutthikun , Chanyut Khajorntraidet","doi":"10.1016/j.jics.2026.102431","DOIUrl":"10.1016/j.jics.2026.102431","url":null,"abstract":"<div><div>Fusel oil (FO), an oxygenated by-product of bioethanol fermentation rich in higher alcohols and containing measurable water, is a promising renewable blending component for partial diesel substitution. This study quantifies how FO addition to commercial B7 affects combustion phasing, regulated gaseous emissions, NO/NO<sub>2</sub> speciation, and particle number–size distributions in a stock 2.5-L turbocharged compression-ignition engine under oxygen-rich operation (EGR deactivated). Steady-state tests were conducted at 1200–2000 rpm and 25–75 % load (2000 rpm up to 50 % load) using B7, B7FO10 (10 vol% FO), and B7FO20 (20 vol% FO). In-cylinder pressure (20 cycles, ensemble-averaged) was used to derive apparent heat release rate (HRR). CO, NO, NO<sub>2</sub>, NO<sub>x</sub>, O<sub>2</sub>, and CO<sub>2</sub> were measured using Testo 350 and HC using Horiba MEXA-441ME. Particle number–size distributions (5.6–560 nm) were measured by an EEPS (TSI 3090) under a fixed two-stage dilution protocol (DF<sub>1</sub> = 8, DF<sub>2</sub> = 8; DF total = 64) maintained constant for all fuels and operating points.</div><div>Uniquely, this work simultaneously reports (i) NO/NO<sub>2</sub> partitioning and (ii) particle number–size distributions under a controlled dilution history across a systematic speed–load matrix and links these outcomes to pressure-derived combustion phasing in a stock turbocharged CI engine. FO blending consistently retarded combustion phasing, indicating longer ignition delay and a shift of heat release toward the main combustion stage, most clearly at low speed/load. The largest gaseous-emission penalties occurred at low load (25 % load): relative to B7, CO (≈100–350 ppm) increased by ∼0–30 % for B7FO10 and ∼10–60 % for B7FO20, while HC (≈5–18 ppm) increased by ∼8–100 % and ∼25–125 %, depending on speed. Total NO<sub>x</sub> remained broadly comparable to B7 (≈500–1800 ppm; typically, within ±100–300 ppm), whereas FO increased the NO<sub>2</sub> share (NO<sub>2</sub>/NO<sub>x</sub> ≈ 2–16 %) across the matrix. Particle number increased monotonically with FO fraction and the distribution shifted toward a stronger nucleation-mode contribution (typically ∼7–30 nm), with the maximum total particle concentration reaching 5.6 × 10<sup>7</sup> cm<sup>−3</sup> at 2000 rpm and 50 % load for B7FO20 within the tested window. Overall, FO enables partial diesel substitution with limited change in total NO<sub>x</sub> but increases ultrafine particle number, highlighting a number–size trade-off that should be evaluated alongside conventional mass-based PM indicators and motivates future chemical characterization of organic-rich nanoparticles.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102431"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023713","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}
Paper-based analytical Surface-Enhanced Raman Scattering (SERS) spectroscopy enables rapid and highly sensitive detection of melamine in coffee powder. This performance is attributed to the selective interaction between melamine and a β-cyclodextrin copolymer functionalized with silver nanoparticles (AgNPs). Melamine is a nitrogen-rich compound that has been fraudulently introduced into dairy products to artificially inflate measured protein levels for economic gain. Nevertheless, high levels of melamine consumption pose significant health risks. SERS is widely recognized as a powerful tool for the identification of trace contaminants such as melamine. In the present work, a flexible paper-supported nanoparticle hybrid surface plasmon resonance substrate was prepared by depositing β-cyclodextrin–modified AgNPs onto filter paper. The method was evaluated using an external calibration procedure to determine its linearity, sensitivity, repeatability, and recovery. The results demonstrated satisfactory linearity (R2 = 0.85) for melamine detection in coffee powder across a concentration range of 1000 ppm–0.0001 ppm, with a detection limit of 0.001 ppm.
{"title":"Sensitive and rapid detection of melamine in coffee powder by beta-cyclodextrin copolymer coated with silver nanoparticles by paper based Analytical-SERS technique","authors":"Deepak Kumar, Nazia Tarannum, Aditi Gautam, Tanu Chauhan","doi":"10.1016/j.jics.2026.102451","DOIUrl":"10.1016/j.jics.2026.102451","url":null,"abstract":"<div><div>Paper-based analytical Surface-Enhanced Raman Scattering (SERS) spectroscopy enables rapid and highly sensitive detection of melamine in coffee powder. This performance is attributed to the selective interaction between melamine and a β-cyclodextrin copolymer functionalized with silver nanoparticles (AgNPs). Melamine is a nitrogen-rich compound that has been fraudulently introduced into dairy products to artificially inflate measured protein levels for economic gain. Nevertheless, high levels of melamine consumption pose significant health risks. SERS is widely recognized as a powerful tool for the identification of trace contaminants such as melamine. In the present work, a flexible paper-supported nanoparticle hybrid surface plasmon resonance substrate was prepared by depositing β-cyclodextrin–modified AgNPs onto filter paper. The method was evaluated using an external calibration procedure to determine its linearity, sensitivity, repeatability, and recovery. The results demonstrated satisfactory linearity (R<sup>2</sup> = 0.85) for melamine detection in coffee powder across a concentration range of 1000 ppm–0.0001 ppm, with a detection limit of 0.001 ppm.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102451"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078617","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":"2026-02-01","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 : 2026-02-01Epub Date: 2026-01-07DOI: 10.1016/j.jics.2026.102402
R. Ashwin , S. Rahul , T. Mohanraj , A. Arumugam
Due to the adverse effects of conventional fossil fuels, including resource depletion, air pollution, and greenhouse gas emissions, the world is increasingly focusing on biodiesel as a sustainable alternative. In this paper, the non-edible oil Pongamia pinnata oil was converted to biodiesel production through the use of the new catalyst synthesised from Sterculia foetida pods. The transesterification process was carried out with the operational parameters of temperature: 75 °C, methanol to oil ratio: 20:1, 6 h reaction time and 5 wt% catalyst concentration. The findings proved that the conversion of FAME for the biodiesel obtained from Pongamia pinnata oil was 99.19 %. By Aluminium Titanate-based thermal barrier-coated (TBC) piston crown and liner, the study analyzed the performance, combustion, and emission characteristics of a single-cylinder diesel engine. Experiments on the engine with and without the thermal coating were carried out with pure diesel and 10 % biodiesel blend to observe their combustion behaviour and emission patterns. The outcomes indicate that the coated engine contributed to the improvement in brake thermal efficiency (BTE) by 2 % with the 10 % bio-diesel blend, accompanied by reduction in brake specific fuel consumption (BSFC) of 7 %. The reductions in Hydrocarbon (HC) and carbon monoxide (CO) emissions were 37 % and 41 % to the coated engine in comparison with the baseline engine. Nevertheless, NOx emissions were elevated by as much as 9 % because of the higher in-cylinder temperature caused by the coating.
{"title":"Sterculia foetida shell-based catalyst for biodiesel synthesis and improved performance–emission characteristics of coated diesel engines","authors":"R. Ashwin , S. Rahul , T. Mohanraj , A. Arumugam","doi":"10.1016/j.jics.2026.102402","DOIUrl":"10.1016/j.jics.2026.102402","url":null,"abstract":"<div><div>Due to the adverse effects of conventional fossil fuels, including resource depletion, air pollution, and greenhouse gas emissions, the world is increasingly focusing on biodiesel as a sustainable alternative. In this paper, the non-edible oil <em>Pongamia pinnata</em> oil was converted to biodiesel production through the use of the new catalyst synthesised from <em>Sterculia foetida</em> pods. The transesterification process was carried out with the operational parameters of temperature: 75 °C, methanol to oil ratio: 20:1, 6 h reaction time and 5 wt% catalyst concentration. The findings proved that the conversion of FAME for the biodiesel obtained from <em>Pongamia pinnata</em> oil was 99.19 %. By Aluminium Titanate-based thermal barrier-coated (TBC) piston crown and liner, the study analyzed the performance, combustion, and emission characteristics of a single-cylinder diesel engine. Experiments on the engine with and without the thermal coating were carried out with pure diesel and 10 % biodiesel blend to observe their combustion behaviour and emission patterns. The outcomes indicate that the coated engine contributed to the improvement in brake thermal efficiency (BTE) by 2 % with the 10 % bio-diesel blend, accompanied by reduction in brake specific fuel consumption (BSFC) of 7 %. The reductions in Hydrocarbon (HC) and carbon monoxide (CO) emissions were 37 % and 41 % to the coated engine in comparison with the baseline engine. Nevertheless, NOx emissions were elevated by as much as 9 % because of the higher in-cylinder temperature caused by the coating.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102402"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928270","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}