Pub Date : 2026-02-01Epub Date: 2026-01-17DOI: 10.1016/j.jics.2026.102434
D. Shilpa, K. Vanitha, K. Sadasivam
Cocrystals are gaining momentum recent times for the purpose of modulating the physical and chemical properties of the chosen compounds along with the active pharmaceutical ingredient (API) which are dynamically accessible as a drug candidate in various pharmaceutical applications. The formation of heteromolecular H bond plays an important role in the design of the required cocrystal. In this article, three biomolecules such as ethanedioic acid, cis-butenedioic acid and propanedioic acid which are commonly known as oxalic acid (OX), maleic acid (MA) and malonic acid (MAL) are chosen to form cocrystal structures with the API compound tylenol (paracetamol) using quantum computations. Owing to the prompt pharmaceutical desires (antioxidant ability), suitable drug candidate of cocrystals are designed successfully by N–H⋯O and CO⋯H bonding interactions between PA with the foresaid biomolecules, appropriate for effective medicinal approaches by quantum mechanical studies at molecular levels.
{"title":"Integrative computational design of paracetamol based supramolecular cocrystals: Comparative DFT, surface characterization, docking, and dynamics toward therapeutic applications","authors":"D. Shilpa, K. Vanitha, K. Sadasivam","doi":"10.1016/j.jics.2026.102434","DOIUrl":"10.1016/j.jics.2026.102434","url":null,"abstract":"<div><div>Cocrystals are gaining momentum recent times for the purpose of modulating the physical and chemical properties of the chosen compounds along with the active pharmaceutical ingredient (API) which are dynamically accessible as a drug candidate in various pharmaceutical applications. The formation of heteromolecular H bond plays an important role in the design of the required cocrystal. In this article, three biomolecules such as ethanedioic acid, <em>cis</em>-butenedioic acid and propanedioic acid which are commonly known as oxalic acid (OX), maleic acid (MA) and malonic acid (MAL) are chosen to form cocrystal structures with the API compound tylenol (paracetamol) using quantum computations. Owing to the prompt pharmaceutical desires (antioxidant ability), suitable drug candidate of cocrystals are designed successfully by N–H⋯O and C<img>O⋯H bonding interactions between PA with the foresaid biomolecules, appropriate for effective medicinal approaches by quantum mechanical studies at molecular levels.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102434"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023712","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: 2025-12-28DOI: 10.1016/j.jics.2025.102366
Sara Harsej Sani , Nima Nakhlparvar Jahromi , Majid Ehteshami
Nitrate contamination in groundwater constitutes a significant public health and environmental hazard, particularly in regions such as Tehran, Iran. Conventional remediation technologies are often limited by high operational expenditures and the generation of hazardous secondary byproducts. This study systematically compares two electrochemical approaches—electrocoagulation (EC) and cathodic reduction (CR)—for the removal of nitrate from authentic groundwater matrices, followed by optimization of the superior process via Response Surface Methodology (RSM). In the initial experimental phase, EC (utilizing an aluminum (Al) anode and copper (Cu)-foam cathode) and CR (employing a ruthenium oxide/coted titanium (RuO2/Ti) anode and Cu foam cathode) were evaluated using groundwater from the Shahriar aquifer, containing 100 mg NO3−-N L−1. EC demonstrated markedly higher efficacy, achieving 95.21 % nitrate removal and 51.7 % nitrogen selectivity (N2 yield), compared to 45.6 % removal by CR. Furthermore, EC exhibited lower specific energy consumption (327–872 kWh kg−1 NO3−) relative to CR (>1000 kWh kg−1 NO3−). Subsequent optimization of EC via RSM (Design Expert 13.0) identified electrolysis time and pH as statistically significant factors (p < 0.01). The developed quadratic model (R2 = 0.963) predicted optimal operational parameters at pH 6.5, 85 min, and 0.27 A current density, achieving 99.8 % nitrate removal at 924 kWh kg−1 NO3−. Importantly, EC was effective within the natural pH range of groundwater, obviating the need for chemical adjustment. These findings highlight EC as a promising, scalable, and energy-efficient strategy for nitrate remediation in groundwater, with RSM offering a robust framework for process optimization and field deployment.
{"title":"Optimized electrocoagulation vs. cathodic reduction for nitrate contamination","authors":"Sara Harsej Sani , Nima Nakhlparvar Jahromi , Majid Ehteshami","doi":"10.1016/j.jics.2025.102366","DOIUrl":"10.1016/j.jics.2025.102366","url":null,"abstract":"<div><div>Nitrate contamination in groundwater constitutes a significant public health and environmental hazard, particularly in regions such as Tehran, Iran. Conventional remediation technologies are often limited by high operational expenditures and the generation of hazardous secondary byproducts. This study systematically compares two electrochemical approaches—electrocoagulation (EC) and cathodic reduction (CR)—for the removal of nitrate from authentic groundwater matrices, followed by optimization of the superior process via Response Surface Methodology (RSM). In the initial experimental phase, EC (utilizing an aluminum (Al) anode and copper (Cu)-foam cathode) and CR (employing a ruthenium oxide/coted titanium (RuO<sub>2</sub>/Ti) anode and Cu foam cathode) were evaluated using groundwater from the Shahriar aquifer, containing 100 mg NO<sub>3</sub><sup>−</sup>-N L<sup>−1</sup>. EC demonstrated markedly higher efficacy, achieving 95.21 % nitrate removal and 51.7 % nitrogen selectivity (N<sub>2</sub> yield), compared to 45.6 % removal by CR. Furthermore, EC exhibited lower specific energy consumption (327–872 kWh kg<sup>−1</sup> NO<sub>3</sub><sup>−</sup>) relative to CR (>1000 kWh kg<sup>−1</sup> NO<sub>3</sub><sup>−</sup>). Subsequent optimization of EC via RSM (Design Expert 13.0) identified electrolysis time and pH as statistically significant factors (p < 0.01). The developed quadratic model (R<sup>2</sup> = 0.963) predicted optimal operational parameters at pH 6.5, 85 min, and 0.27 A current density, achieving 99.8 % nitrate removal at 924 kWh kg<sup>−1</sup> NO<sub>3</sub><sup>−</sup>. Importantly, EC was effective within the natural pH range of groundwater, obviating the need for chemical adjustment. These findings highlight EC as a promising, scalable, and energy-efficient strategy for nitrate remediation in groundwater, with RSM offering a robust framework for process optimization and field deployment.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102366"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928369","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: 2026-01-03DOI: 10.1016/j.jics.2026.102404
Sonali P. Jadhav , Parag R. Gogate
The current study explores the treatment of Sunset Yellow dye using hydrodynamic cavitation (HC), ultrasonic horn (US), and their combinations with UV light and different oxidants. Experiments showed that the best operating conditions for HC were a dye concentration of 20 ppm, pH 10, and an inlet pressure of 2 bar. Under these settings, HC alone removed 56.09 % of the dye and achieved a 12.48 % reduction in COD, while the US alone was less effective, reaching only 29.25 % decolorization. The addition of oxidants and catalysts noticeably strengthened the process. Titanium dioxide (TiO2) at 0.8 g/L as optimum loading led to 78.25 % removal, and hydrogen peroxide (H2O2) at 1 g/L resulted in higher degradation as 84.44 %. Among all additives, potassium persulfate (KPS) (1 g/L) delivered the best performance, reaching 97.31 % removal when combined with HC. Overall, systems coupling HC with UV and suitable additives performed far better than cavitation alone, with the HC + UV + KPS setup achieving complete colour removal and a 72.22 % in COD reduction. Overall, results clearly show that combining cavitation with UV irradiation and oxidants in optimum amount results in a much more effective treatment route for Sunset Yellow degradation than any single technique used independently.
{"title":"Degradation of sunset yellow dye using hydrodynamic cavitation and ultrasonic horn assisted by UV irradiation and chemical additives","authors":"Sonali P. Jadhav , Parag R. Gogate","doi":"10.1016/j.jics.2026.102404","DOIUrl":"10.1016/j.jics.2026.102404","url":null,"abstract":"<div><div>The current study explores the treatment of Sunset Yellow dye using hydrodynamic cavitation (HC), ultrasonic horn (US), and their combinations with UV light and different oxidants. Experiments showed that the best operating conditions for HC were a dye concentration of 20 ppm, pH 10, and an inlet pressure of 2 bar. Under these settings, HC alone removed 56.09 % of the dye and achieved a 12.48 % reduction in COD, while the US alone was less effective, reaching only 29.25 % decolorization. The addition of oxidants and catalysts noticeably strengthened the process. Titanium dioxide (TiO<sub>2</sub>) at 0.8 g/L as optimum loading led to 78.25 % removal, and hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>) at 1 g/L resulted in higher degradation as 84.44 %. Among all additives, potassium persulfate (KPS) (1 g/L) delivered the best performance, reaching 97.31 % removal when combined with HC. Overall, systems coupling HC with UV and suitable additives performed far better than cavitation alone, with the HC + UV + KPS setup achieving complete colour removal and a 72.22 % in COD reduction. Overall, results clearly show that combining cavitation with UV irradiation and oxidants in optimum amount results in a much more effective treatment route for Sunset Yellow degradation than any single technique used independently.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102404"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928367","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-01Epub Date: 2026-01-02DOI: 10.1016/j.jics.2026.102399
Priya Nikkam , Jayappa Manjanna , Manohar Rathod
In this study we have explored the usage of metal complex functionalized naturally occurring smectite clay minerals as solid acid catalyst for the preparation of substituted isoxazol scaffolds. The solid acid catalyst was prepared by modifying Cu(II)-montmorillonite through in-situ complexation of interlayer Cu(II) ions with thiourea by solid state method, and then heated to different temperatures (up to 500 0C). These samples were characterized by XRD, FT-IR, TG/DTA, SEM and UV-DRS techniques, which have confirmed the successful preparation of new series of solid acid catalysts. These catalysts were used for the synthesis of substituted isoxazol scaffolds through the cyclocondensation reaction of ethyl acetoacetate, hydroxylamine hydrochloride with various aldehydes. The catalyst obtained at 300 0C demonstrated the magnificent catalytic performance, affording 96 % yield at mild reaction conditions, due to enhanced acidity which facilitate to transfer the proton during reaction. The increased Brønsted acidity and the ability to control reaction selectivity potentially improved the overall catalytic activity. The reusability and stability of the catalyst were also evaluated. About 75 % yield was obtained even after 4th cycle of catalyst usage. The purity of obtained products were confirmed by 1H NMR, 13C NMR, LCMS and FT-IR analysis. Thus, the developed novel catalyst offers promising strategy for environmentally benign catalytic process.
{"title":"Synthesis of 3-substituted 4-arylmethylidene isoxazol-5(4H)-ones derivatives by using Cu-pillared-montmorillonite as heterogeneous solid acid catalyst","authors":"Priya Nikkam , Jayappa Manjanna , Manohar Rathod","doi":"10.1016/j.jics.2026.102399","DOIUrl":"10.1016/j.jics.2026.102399","url":null,"abstract":"<div><div>In this study we have explored the usage of metal complex functionalized naturally occurring smectite clay minerals as solid acid catalyst for the preparation of substituted isoxazol scaffolds. The solid acid catalyst was prepared by modifying Cu(II)-montmorillonite through in-situ complexation of interlayer Cu(II) ions with thiourea by solid state method, and then heated to different temperatures (up to 500 <sup>0</sup>C). These samples were characterized by XRD, FT-IR, TG/DTA, SEM and UV-DRS techniques, which have confirmed the successful preparation of new series of solid acid catalysts. These catalysts were used for the synthesis of substituted isoxazol scaffolds through the cyclocondensation reaction of ethyl acetoacetate, hydroxylamine hydrochloride with various aldehydes. The catalyst obtained at 300 <sup>0</sup>C demonstrated the magnificent catalytic performance, affording 96 % yield at mild reaction conditions, due to enhanced acidity which facilitate to transfer the proton during reaction. The increased Brønsted acidity and the ability to control reaction selectivity potentially improved the overall catalytic activity. The reusability and stability of the catalyst were also evaluated. About 75 % yield was obtained even after 4th cycle of catalyst usage. The purity of obtained products were confirmed by <sup>1</sup>H NMR, <sup>13</sup>C NMR, LCMS and FT-IR analysis. Thus, the developed novel catalyst offers promising strategy for environmentally benign catalytic process.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102399"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928366","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-02-01Epub Date: 2026-01-22DOI: 10.1016/j.jics.2026.102442
Aman Kumar , J. Prabhakaran , Cheshta , Pardeep Kumar Jangra , Harveer Singh Pali , M.A. Shah
Nickel-based metal-organic frameworks (Ni-MOFs) are synthesized and employed as efficient adsorbents for the removal of cadmium (Cd2+) ions from aqueous solutions. The adsorption process is optimized using response surface methodology (RSM) with a central composite design (CCD) to evaluate the influence of three key factors: pH, contact time, and adsorbent concentration. Analysis of variance (ANOVA) confirms the adequacy of the quadratic model, with high correlation coefficients (R2 = 0.9969 and = 0.9941) and low coefficient of variation, indicating strong model reliability. Among the studied parameters, solution pH emerges as the most significant factor influencing Cd2+ removal. The optimization results reveal that a pH of 5.0, a contact time of 15 min, and an adsorbent concentration of 0.03 g yield an optimum cadmium removal efficiency of 79.9 %. Confirmatory experiments validate the predicted model outcomes, demonstrating close agreement between experimental and theoretical values. This study establishes Ni-MOFs as a promising, efficient, and reusable adsorbent for cadmium remediation in wastewater treatment applications.
{"title":"Nickel MOF enabled cadmium adsorption: A response surface optimization study","authors":"Aman Kumar , J. Prabhakaran , Cheshta , Pardeep Kumar Jangra , Harveer Singh Pali , M.A. Shah","doi":"10.1016/j.jics.2026.102442","DOIUrl":"10.1016/j.jics.2026.102442","url":null,"abstract":"<div><div>Nickel-based metal-organic frameworks (Ni-MOFs) are synthesized and employed as efficient adsorbents for the removal of cadmium (Cd<sup>2+</sup>) ions from aqueous solutions. The adsorption process is optimized using response surface methodology (RSM) with a central composite design (CCD) to evaluate the influence of three key factors: pH, contact time, and adsorbent concentration. Analysis of variance (ANOVA) confirms the adequacy of the quadratic model, with high correlation coefficients (R<sup>2</sup> = 0.9969 and <span><math><mrow><msubsup><mi>R</mi><mrow><mi>a</mi><mi>d</mi><mi>j</mi></mrow><mn>2</mn></msubsup></mrow></math></span> = 0.9941) and low coefficient of variation, indicating strong model reliability. Among the studied parameters, solution pH emerges as the most significant factor influencing Cd<sup>2+</sup> removal. The optimization results reveal that a pH of 5.0, a contact time of 15 min, and an adsorbent concentration of 0.03 g yield an optimum cadmium removal efficiency of 79.9 %. Confirmatory experiments validate the predicted model outcomes, demonstrating close agreement between experimental and theoretical values. This study establishes Ni-MOFs as a promising, efficient, and reusable adsorbent for cadmium remediation in wastewater treatment applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102442"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146078620","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: 2026-01-12DOI: 10.1016/j.jics.2026.102415
Nasser Abdulatif Al-Shabib , Javed Masood Khan , Ajamaluddin Malik , Abdulaziz Alamri , Basim M. Alohali , Fohad Mabood Husain , Abdullah S. Alhomida
Polyphosphate food additives are usually used in modern food processing; their cumulative health effects remain insufficiently studied. This study investigates the impact of sodium hexametaphosphate (SHMP) on ovalbumin fibrillation. The data reveal that while very low SHMP concentrations (0.01–0.02 mM) do not induce amyloid fibril formation, concentrations between 0.03 and 5.0 mM promote fibrillation at acidic pH. SHMP-induced aggregation occurs rapidly without a nucleation phase and is concentration-dependent. Biophysical techniques, including ThT binding, far-UV CD, and TEM, confirm that SHMP-induced ovalbumin aggregates exhibit amyloid-like structures. Additionally, the role of salts in SHMP-induced aggregation was explored. Low concentrations of NaCl (0.1–0.2 M) and (NH4)2SO4 (0.05–0.1 M) enhance aggregation, as confirmed by turbidity and far-UV CD analyses. However, higher salt concentrations (>0.2 M NaCl and >0.1 M (NH4)2SO4) suppress aggregation, with (NH4)2SO4 proving more effective. The impact of pH was also examined, revealing that aggregation occurs only at pH below 5.0, with significant turbidity and loss of secondary structure observed. At pH above 5.0, no aggregation was detected, indicating ovalbumin has a native-like structure. Overall, this study provides insights into SHMP-induced amyloid fibril formation in ovalbumin at low pH, highlighting the critical roles of salt concentration and pH in the aggregation process.
现代食品加工中通常使用聚磷酸盐食品添加剂；它们对健康的累积影响仍未得到充分研究。本研究探讨六偏磷酸钠（SHMP）对卵清蛋白颤动的影响。数据显示，虽然非常低的SHMP浓度（0.01-0.02 mM）不会诱导淀粉样蛋白纤维的形成，但0.03 - 5.0 mM的浓度会促进酸性ph下的纤颤。SHMP诱导的聚集发生迅速，没有成核阶段，并且与浓度有关。生物物理技术，包括ThT结合、远紫外CD和透射电镜，证实了shmp诱导的卵清蛋白聚集体表现出淀粉样结构。此外，还探讨了盐在shmp诱导的聚集中的作用。低浓度的NaCl （0.1-0.2 M）和（NH4）2SO4 （0.05-0.1 M）增强了团聚，浊度和远紫外CD分析证实了这一点。然而，较高的盐浓度（>；0.2 M NaCl和>；0.1 M (NH4)2SO4）抑制聚集，（NH4）2SO4被证明更有效。我们还研究了pH值的影响，发现只有pH值低于5.0时才会发生聚集，并观察到明显的浊度和二级结构的损失。在pH大于5.0时，没有检测到聚集，表明卵清蛋白具有天然结构。总的来说，本研究提供了在低pH下shmp诱导的卵清蛋白淀粉样蛋白纤维形成的见解，突出了盐浓度和pH在聚集过程中的关键作用。
{"title":"Effect of pH and ionic strength on polyphosphate-mediated amyloidogenesis in ovalbumin protein","authors":"Nasser Abdulatif Al-Shabib , Javed Masood Khan , Ajamaluddin Malik , Abdulaziz Alamri , Basim M. Alohali , Fohad Mabood Husain , Abdullah S. Alhomida","doi":"10.1016/j.jics.2026.102415","DOIUrl":"10.1016/j.jics.2026.102415","url":null,"abstract":"<div><div>Polyphosphate food additives are usually used in modern food processing; their cumulative health effects remain insufficiently studied. This study investigates the impact of sodium hexametaphosphate (SHMP) on ovalbumin fibrillation. The data reveal that while very low SHMP concentrations (0.01–0.02 mM) do not induce amyloid fibril formation, concentrations between 0.03 and 5.0 mM promote fibrillation at acidic pH. SHMP-induced aggregation occurs rapidly without a nucleation phase and is concentration-dependent. Biophysical techniques, including ThT binding, far-UV CD, and TEM, confirm that SHMP-induced ovalbumin aggregates exhibit amyloid-like structures. Additionally, the role of salts in SHMP-induced aggregation was explored. Low concentrations of NaCl (0.1–0.2 M) and (NH<sub>4</sub>)<sub>2</sub>SO<sub>4</sub> (0.05–0.1 M) enhance aggregation, as confirmed by turbidity and far-UV CD analyses. However, higher salt concentrations (>0.2 M NaCl and >0.1 M (NH<sub>4</sub>)<sub>2</sub>SO<sub>4</sub>) suppress aggregation, with (NH<sub>4</sub>)<sub>2</sub>SO<sub>4</sub> proving more effective. The impact of pH was also examined, revealing that aggregation occurs only at pH below 5.0, with significant turbidity and loss of secondary structure observed. At pH above 5.0, no aggregation was detected, indicating ovalbumin has a native-like structure. Overall, this study provides insights into SHMP-induced amyloid fibril formation in ovalbumin at low pH, highlighting the critical roles of salt concentration and pH in the aggregation process.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102415"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023588","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: 2026-01-17DOI: 10.1016/j.jics.2026.102432
Awaludin Martin , Reza Asrian , Torridho Ricky , Fayza Yulia , Kyaw Thu , Arif Rahman , Tokumasu Takashi , N. Nasruddin , Bianca Natasha Prasetya
This study investigates Bio-Metal–Organic Frameworks (Bio-MOFs) based on cobalt-glutamate (Co-Glu) as a potential adsorbent for methane storage, offering insights into sustainable production pathways. The Bio-MOF Co-Glu, synthesized using l-glutamic acid, exhibits promising methane adsorption properties, with a maximum capacity of 0.12 kg/kg at 293 K and 1487 kPa. Although this falls below the U.S. Department of Energy's target of 0.5 kg/kg at 3.5 MPa, the material's favorable enthalpic properties allow for effective thermal management during adsorption, making it a competitive option for practical applications requiring thermal delicacy. The study compares ultrasonic synthesis of Bio-MOF Co-Glu with conventional solvothermal methods, finding that ultrasonic synthesis is more environmentally friendly and energy-efficient. A Cradle-to-Gate Life Cycle Assessment (LCA), conducted using GaBi Sphera and Ecoinvent 3.7, reveals that the production of the cobalt precursor is a major contributor to electricity consumption. However, by integrating renewable energy sources, such as photovoltaics (PV), the process could achieve a 27 % reduction in emissions. Sensitivity analysis suggests further improvements in adsorption performance through doping, ligand modifications, or utilizing mixed-metal frameworks. This work highlights Bio-MOF Co-Glu's potential as a sustainable methane adsorbent, offering pathways for optimization in energy storage applications aligned with green chemistry principles.
{"title":"Methane adsorption on cobalt-glutamate-based bio-metal-organic-framework for methane storage application","authors":"Awaludin Martin , Reza Asrian , Torridho Ricky , Fayza Yulia , Kyaw Thu , Arif Rahman , Tokumasu Takashi , N. Nasruddin , Bianca Natasha Prasetya","doi":"10.1016/j.jics.2026.102432","DOIUrl":"10.1016/j.jics.2026.102432","url":null,"abstract":"<div><div>This study investigates Bio-Metal–Organic Frameworks (Bio-MOFs) based on cobalt-glutamate (Co-Glu) as a potential adsorbent for methane storage, offering insights into sustainable production pathways. The Bio-MOF Co-Glu, synthesized using <span>l</span>-glutamic acid, exhibits promising methane adsorption properties, with a maximum capacity of 0.12 kg/kg at 293 K and 1487 kPa. Although this falls below the U.S. Department of Energy's target of 0.5 kg/kg at 3.5 MPa, the material's favorable enthalpic properties allow for effective thermal management during adsorption, making it a competitive option for practical applications requiring thermal delicacy. The study compares ultrasonic synthesis of Bio-MOF Co-Glu with conventional solvothermal methods, finding that ultrasonic synthesis is more environmentally friendly and energy-efficient. A Cradle-to-Gate Life Cycle Assessment (LCA), conducted using GaBi Sphera and Ecoinvent 3.7, reveals that the production of the cobalt precursor is a major contributor to electricity consumption. However, by integrating renewable energy sources, such as photovoltaics (PV), the process could achieve a 27 % reduction in emissions. Sensitivity analysis suggests further improvements in adsorption performance through doping, ligand modifications, or utilizing mixed-metal frameworks. This work highlights Bio-MOF Co-Glu's potential as a sustainable methane adsorbent, offering pathways for optimization in energy storage applications aligned with green chemistry principles.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102432"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146023711","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}
In search of novel compounds with promising antimicrobial properties, a series of indole-2-carboxylic acid derivatives containing thiourea were designed and synthesized. The in vitro antimicrobial activities of all synthesized derivatives were evaluated against Vibrio harveyi (Gram-negative strain), using the agar perforating method. The results revealed that the compounds exhibited particularly strong activity against V. harveyi. Among them, derivatives 8b, 8c, and 9b demonstrated significant antimicrobial efficacy, with MIC values as low as 1.9 μg/mL, outperforming the positive control drug streptomycin sulfate. These findings suggest that the newly synthesized compounds represent promising candidates for the development of innovative antimicrobial agents.
{"title":"Design, synthesis, antimicrobial activity and structure-activity relationships of indole-2-carboxylic acid derivatives","authors":"Qingmei Zhou, Jiabao Luan, Jianlong Zhang, Qiang Liu, Jiliang Hu, Weiwei Liu","doi":"10.1016/j.jics.2026.102416","DOIUrl":"10.1016/j.jics.2026.102416","url":null,"abstract":"<div><div>In search of novel compounds with promising antimicrobial properties, a series of indole-2-carboxylic acid derivatives containing thiourea were designed and synthesized. The in vitro antimicrobial activities of all synthesized derivatives were evaluated against <em>Vibrio harveyi</em> (Gram-negative strain), using the agar perforating method. The results revealed that the compounds exhibited particularly strong activity against <em>V. harveyi</em>. Among them, derivatives <strong>8b</strong>, <strong>8c</strong>, and <strong>9b</strong> demonstrated significant antimicrobial efficacy, with MIC values as low as 1.9 μg/mL, outperforming the positive control drug streptomycin sulfate. These findings suggest that the newly synthesized compounds represent promising candidates for the development of innovative antimicrobial agents.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102416"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928271","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.2026.102414
Kevser Bal , Özlem Kaplan , Sibel Küçükertuğrul Çeli̇k , Nazan Gökşen Tosun , Mehmet Koray Gök
In this study, a dual-functional redox-responsive and mucoadhesive oligomeric polyanhydride nanoparticle system was developed to integrate stimuli-triggered behavior with enhanced mucosal retention. It was synthesized from 3,3-dithiodipropionic acid and azelaic acid, where the disulfide-containing segments not only endowed the polymer with redox sensitivity but also enabled dynamic thiol–disulfide exchange interactions with mucin glycoproteins, thereby contributing to mucoadhesion. The chemical structure was confirmed by FTIR, 1H NMR, and GPC analyses. Nanoparticles were prepared via nanoprecipitation and characterized by dynamic light scattering (DLS), exhibiting particle sizes between 95.63 ± 5.52 and 128.27 ± 5.22 nm, with PDI values ranging from 0.157 ± 0.03 to 0.389 ± 0.001. Mucoadhesion studies demonstrated that the presence of disulfide (S–S) linkages significantly improved mucin interaction, achieving a binding efficiency of 33 %. Redox-responsive behavior was confirmed through drug release experiments, where nanoparticles displayed accelerated release under reducing conditions (DTT, pH 5.0) compared to non-reducing environments. In vitro cytotoxicity assays revealed that blank nPASS nanoparticles showed low toxicity toward healthy human fibroblast BJ cells as well as HT29 (colorectal adenocarcinoma) and A549 (lung carcinoma) cells. In contrast, curcumin-loaded nPASS nanoparticles exhibited enhanced anticancer activity, with lower IC50 values than free curcumin across all evaluated cell lines. Overall, these results indicate that nPASS nanoparticles constitute a promising, safe, and effective dual-function mucoadhesive and redox-responsive drug delivery platform for therapeutic applications.
{"title":"Redox-triggered and mucoadhesive oligomeric polyanhydride nanoparticles: Synthesis strategy, characterization, and in vitro evaluation","authors":"Kevser Bal , Özlem Kaplan , Sibel Küçükertuğrul Çeli̇k , Nazan Gökşen Tosun , Mehmet Koray Gök","doi":"10.1016/j.jics.2026.102414","DOIUrl":"10.1016/j.jics.2026.102414","url":null,"abstract":"<div><div>In this study, a dual-functional redox-responsive and mucoadhesive oligomeric polyanhydride nanoparticle system was developed to integrate stimuli-triggered behavior with enhanced mucosal retention. It was synthesized from 3,3-dithiodipropionic acid and azelaic acid, where the disulfide-containing segments not only endowed the polymer with redox sensitivity but also enabled dynamic thiol–disulfide exchange interactions with mucin glycoproteins, thereby contributing to mucoadhesion. The chemical structure was confirmed by FTIR, <sup>1</sup>H NMR, and GPC analyses. Nanoparticles were prepared via nanoprecipitation and characterized by dynamic light scattering (DLS), exhibiting particle sizes between 95.63 ± 5.52 and 128.27 ± 5.22 nm, with PDI values ranging from 0.157 ± 0.03 to 0.389 ± 0.001. Mucoadhesion studies demonstrated that the presence of disulfide (S–S) linkages significantly improved mucin interaction, achieving a binding efficiency of 33 %. Redox-responsive behavior was confirmed through drug release experiments, where nanoparticles displayed accelerated release under reducing conditions (DTT, pH 5.0) compared to non-reducing environments. <em>In vitro</em> cytotoxicity assays revealed that blank nPA<sub>SS</sub> nanoparticles showed low toxicity toward healthy human fibroblast BJ cells as well as HT29 (colorectal adenocarcinoma) and A549 (lung carcinoma) cells. In contrast, curcumin-loaded nPA<sub>SS</sub> nanoparticles exhibited enhanced anticancer activity, with lower IC<sub>50</sub> values than free curcumin across all evaluated cell lines. Overall, these results indicate that nPA<sub>SS</sub> nanoparticles constitute a promising, safe, and effective dual-function mucoadhesive and redox-responsive drug delivery platform for therapeutic applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102414"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145928375","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: 2025-12-26DOI: 10.1016/j.jics.2025.102381
Somesh Patil, Prasad Sanap, Tejas Agrawal, Siddhi Shanbhag, Amit Pratap
This study investigated the synthesis and characterization of esters derived from Ricinoleic acid and its estolides with linear fatty alcohol (FA) and branched guerbet alcohols (GA). These bio-based esters were evaluated for their potential as lubricants by assessing key physicochemical properties such as kinematic viscosity (KV), viscosity index (VI), pour point (PP), and surface tension. Tribological performance in terms of wear and friction was evaluated using a multifunctional tribometer and a Fourball tester. Thermo-oxidative stability was determined through thermogravimetric analysis and RPVOT (Rotating Pressure Vessel Oxidation Test). The synthesized esters exhibited promising lubricating properties, demonstrating comparable performance to commercial lubricants in the ISO VG 32 and VG 100 grades. Notably, they displayed high viscosity indices (110–165), low pour points (−3 to −45 °C), and improved oxidation stability. Furthermore, the study explored the relationship between the molecular structure, specifically branching, and the observed physicochemical and tribological properties.
{"title":"Bio-lubricants based on guerbet alcohol and ricinoleic estolide: Effect of structure on physicochemical and tribological properties","authors":"Somesh Patil, Prasad Sanap, Tejas Agrawal, Siddhi Shanbhag, Amit Pratap","doi":"10.1016/j.jics.2025.102381","DOIUrl":"10.1016/j.jics.2025.102381","url":null,"abstract":"<div><div>This study investigated the synthesis and characterization of esters derived from Ricinoleic acid and its estolides with linear fatty alcohol (FA) and branched guerbet alcohols (GA). These bio-based esters were evaluated for their potential as lubricants by assessing key physicochemical properties such as kinematic viscosity (KV), viscosity index (VI), pour point (PP), and surface tension. Tribological performance in terms of wear and friction was evaluated using a multifunctional tribometer and a Fourball tester. Thermo-oxidative stability was determined through thermogravimetric analysis and RPVOT (Rotating Pressure Vessel Oxidation Test). The synthesized esters exhibited promising lubricating properties, demonstrating comparable performance to commercial lubricants in the ISO VG 32 and VG 100 grades. Notably, they displayed high viscosity indices (110–165), low pour points (−3 to −45 °C), and improved oxidation stability. Furthermore, the study explored the relationship between the molecular structure, specifically branching, and the observed physicochemical and tribological properties.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 2","pages":"Article 102381"},"PeriodicalIF":3.4,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145978935","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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