Pub Date : 2025-12-11DOI: 10.1016/j.jics.2025.102341
Sonima Mohan , Mini Vellakkat , Reka U
Polyaniline/silicon dioxide nanocomposites are synthesized via mechanochemical method. Crystallinity of polymer nanocomposite is increased as the silicon dioxide concentration increased from 20 % to 50 %. Elemental composition studies show that a decrease in carbon and silicon content as the silicon dioxide weight percentage increased from 20 to 40 % and a sharp increase is observed for 50 % filler added nanocomposite. Thermal analysis shows that 40 % of the polymer nanocomposite material exists even after heating up-to 700 °C. The UV absorption of polyaniline/silicon dioxide nanocomposites is decreased as the silicon dioxide content increased from 20 % to 40 % and an enhanced absorption is obtained for 50 % reinforced composite. The visible absorption is found to be improved with the silicon dioxide weight percentage. Bandgap of nanocomposites is reduced due to the generation of defects, which enhances the photoluminescence. A power conversion efficiency of 2.7 %, 3.84 %, 4.31 % and 4.82 % is obtained for polyaniline nanocomposites reinforced with silicon dioxide of 20, 30, 40 and 50 wt percentage respectively.
{"title":"Structural and optical property analysis of polyaniline/silicon dioxide nanocomposites and their solar cell application studies","authors":"Sonima Mohan , Mini Vellakkat , Reka U","doi":"10.1016/j.jics.2025.102341","DOIUrl":"10.1016/j.jics.2025.102341","url":null,"abstract":"<div><div>Polyaniline/silicon dioxide nanocomposites are synthesized via mechanochemical method. Crystallinity of polymer nanocomposite is increased as the silicon dioxide concentration increased from 20 % to 50 %. Elemental composition studies show that a decrease in carbon and silicon content as the silicon dioxide weight percentage increased from 20 to 40 % and a sharp increase is observed for 50 % filler added nanocomposite. Thermal analysis shows that 40 % of the polymer nanocomposite material exists even after heating up-to 700 °C. The UV absorption of polyaniline/silicon dioxide nanocomposites is decreased as the silicon dioxide content increased from 20 % to 40 % and an enhanced absorption is obtained for 50 % reinforced composite. The visible absorption is found to be improved with the silicon dioxide weight percentage. Bandgap of nanocomposites is reduced due to the generation of defects, which enhances the photoluminescence. A power conversion efficiency of 2.7 %, 3.84 %, 4.31 % and 4.82 % is obtained for polyaniline nanocomposites reinforced with silicon dioxide of 20, 30, 40 and 50 wt percentage respectively.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102341"},"PeriodicalIF":3.4,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798294","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-11DOI: 10.1016/j.jics.2025.102345
Hari Singh , Anurag Tewari
This study presents the synthesis of a novel type of porous Iron incorporating Gadolinium nanoparticles, as an MRI contrast agent via high-temperature colloidal synthesis. Various analytical techniques were employed to comprehensively characterize the nanoparticles, including X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Nanoparticles Tracking Analysis (NTA), Fourier-Transform Infrared Spectroscopy (FTIR), Thermogravimetric Analysis (TGA), X-ray Photoelectron Spectroscopy (XPS), as well as in vitro and in vivo studies. The synthesized Iron-Incorporated Gadolinium Nanoparticles (INP-Gd) exhibits noteworthy attributes, including a small particle size (40–100 nm) and a distinctive donut-shaped morphology. Their small size, superparamagnetic behavior, relaxivity, amorphous nature, and ethylene glycol coating ensure stability and safe circulation in the body, making them ideal for high-resolution, non-invasive imaging. Notably, it demonstrates solubility in Dimethyl Sulfoxide (DMSO) and displays less-toxic properties up to a concentration of 100 μg/mL over 72 h. Importantly, the synthesis of these nanoparticles addresses critical concerns related to toxicity and kidney clearance associated with conventional gadolinium-based contrast agents. Consequently, the results affirm the potential of these newly synthesized nanoparticles as a safe and effective alternative to traditional gadolinium-based MRI contrast agents.
{"title":"Synthesis and characterization of biocompatible iron incorporated gadolinium nanoparticles for MRI contrast agent","authors":"Hari Singh , Anurag Tewari","doi":"10.1016/j.jics.2025.102345","DOIUrl":"10.1016/j.jics.2025.102345","url":null,"abstract":"<div><div>This study presents the synthesis of a novel type of porous Iron incorporating Gadolinium nanoparticles, as an MRI contrast agent via high-temperature colloidal synthesis. Various analytical techniques were employed to comprehensively characterize the nanoparticles, including X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), Transmission Electron Microscopy (TEM), Nanoparticles Tracking Analysis (NTA), Fourier-Transform Infrared Spectroscopy (FTIR), Thermogravimetric Analysis (TGA), X-ray Photoelectron Spectroscopy (XPS), as well as in vitro and in vivo studies. The synthesized Iron-Incorporated Gadolinium Nanoparticles (INP-Gd) exhibits noteworthy attributes, including a small particle size (40–100 nm) and a distinctive donut-shaped morphology. Their small size, superparamagnetic behavior, relaxivity, amorphous nature, and ethylene glycol coating ensure stability and safe circulation in the body, making them ideal for high-resolution, non-invasive imaging. Notably, it demonstrates solubility in Dimethyl Sulfoxide (DMSO) and displays less-toxic properties up to a concentration of 100 μg/mL over 72 h. Importantly, the synthesis of these nanoparticles addresses critical concerns related to toxicity and kidney clearance associated with conventional gadolinium-based contrast agents. Consequently, the results affirm the potential of these newly synthesized nanoparticles as a safe and effective alternative to traditional gadolinium-based MRI contrast agents.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102345"},"PeriodicalIF":3.4,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798360","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-11DOI: 10.1016/j.jics.2025.102339
Omar Boualam , Mohammed Benjelloun , Youssef Miyah , Redouan El Khalfaouy , Abdellah Addaou , Ali Laajeb
Health and the environment are seriously threatened by phenol, a harmful and persistent industrial contaminant found in industrial waste. This research examines the effectiveness of a 5 %Fe@SCRT catalyst, developed by impregnating iron onto sedimentary clay rock treated (SCRT) from Aït Mhamed, Azilal, Morocco, in a phenol photo-Fenton degradation process under visible light. The use of XRD, FTIR, SEM-EDX, BET, and CEC confirms that the material undergoes structural and chemical transformation following acid treatment and iron doping. FTIR analysis highlights the creation of Si–O–Fe bonds (560 cm−1), while X-ray diffraction attests to the stability of illite and the emergence of new crystalline phases. According to SEM-EDX analysis, there is a purification of the matrix (a decrease in Ca from 24.63 % to 0.34 %) and an increase in Fe and Si. The material has a large specific surface area (35.38 m2/g) and a cation exchange capacity of 22.8 mg/g. The photo-Fenton process, refined by a Box-Behnken design ([phenol]: 200 mg/L, [H2O2]: 10 mM, and catalyst: 1 g/L), allows for 99 % phenol degradation. HPLC analysis determines intermediates, and the stability of the catalyst is confirmed after five cycles, with negligible Fe leaching. Phytotoxicity analysis reveals a significant decrease in toxicity. When applied to real olive mill wastewater (OMW), the process effectively reduces COD and polyphenols. This catalytic system, with an approximate cost of $0.05/L, represents an economical and sustainable option for treating contaminated water.
{"title":"Efficient Visible-Light-Driven Photo-Fenton degradation of phenol using Fe2O3@illite catalyst: Process optimization, application to olive mill wastewater, and environmental assessment","authors":"Omar Boualam , Mohammed Benjelloun , Youssef Miyah , Redouan El Khalfaouy , Abdellah Addaou , Ali Laajeb","doi":"10.1016/j.jics.2025.102339","DOIUrl":"10.1016/j.jics.2025.102339","url":null,"abstract":"<div><div>Health and the environment are seriously threatened by phenol, a harmful and persistent industrial contaminant found in industrial waste. This research examines the effectiveness of a 5 %Fe@SCRT catalyst, developed by impregnating iron onto sedimentary clay rock treated (SCRT) from Aït Mhamed, Azilal, Morocco, in a phenol photo-Fenton degradation process under visible light. The use of XRD, FTIR, SEM-EDX, BET, and CEC confirms that the material undergoes structural and chemical transformation following acid treatment and iron doping. FTIR analysis highlights the creation of Si–O–Fe bonds (560 cm<sup>−1</sup>), while X-ray diffraction attests to the stability of illite and the emergence of new crystalline phases. According to SEM-EDX analysis, there is a purification of the matrix (a decrease in Ca from 24.63 % to 0.34 %) and an increase in Fe and Si. The material has a large specific surface area (35.38 m<sup>2</sup>/g) and a cation exchange capacity of 22.8 mg/g. The photo-Fenton process, refined by a Box-Behnken design ([phenol]: 200 mg/L, [H<sub>2</sub>O<sub>2</sub>]: 10 mM, and catalyst: 1 g/L), allows for 99 % phenol degradation. HPLC analysis determines intermediates, and the stability of the catalyst is confirmed after five cycles, with negligible Fe leaching. Phytotoxicity analysis reveals a significant decrease in toxicity. When applied to real olive mill wastewater (OMW), the process effectively reduces COD and polyphenols. This catalytic system, with an approximate cost of $0.05/L, represents an economical and sustainable option for treating contaminated water.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102339"},"PeriodicalIF":3.4,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-11DOI: 10.1016/j.jics.2025.102344
Walid Iken , Hayat EL Ouafy , Mohamed Reda Chriyaa , Soukaina Naciri , Mouna Aamor , Mouad Boutkbout Nait Moudou , Loubna Halil , Tarik EL Ouafy
This research investigates the adsorption of water molecules on gold and copper surfaces using density functional theory (DFT) with five exchange-correlation functionals. For the Au(111) substrate, the LDA functional gives the highest adsorption energy for water molecules (0.236 eV), whereas the PBE functional provides a lower value of 0.04 eV. On the Cu(111) surface, the adsorption energies are 0.27 eV and 0.03 eV for the LDA and PBE functionals, respectively. Two distinct orientations of water molecules were identified: those with hydrogen atoms pointing downward and those with hydrogen atoms pointing upward. The interpolation method transformed scattered data points into continuous functions, accurately representing adsorption phenomena difficult to measure continuously. We calculated key parameters of the water molecule, including the O–H bond length, HOH angle, dipole moment (μ), and partial charge per elementary charge of the hydrogen atom (qH/e). These variables were expressed as functions of the adsorption energy, and the resulting data points were fitted using polynomials of degrees 4, 3, 2, and 1. The dipole moment was further transformed into polynomials of degrees 12, 9, 6, and 3, respectively, due to its dependence on the product of dO–H, the HOH angle, and (qH/e). Convergence was achieved within defined intervals for the adsorption energy. Most of the obtained polynomial fittings exhibit R2 values greater than 0.8. The selection of energy ranges in which the n-order polynomials of the dipole moment obtained directly match the 3n-order polynomials obtained by performing the product. Through these ranges and knowing the energy value, various water-specific variables can be calculated.This has been verified based on some literature, as mentioned, and will be discussed in detail in the Results and Discussion section. This study highlights the innovative use of polynomial interpolation as a simple and efficient alternative to traditional DFT curve-fitting and machine-learning methods.
{"title":"Accurate representation of water dipole moments on Au(100) and Cu(100) surfaces using polynomial fitting","authors":"Walid Iken , Hayat EL Ouafy , Mohamed Reda Chriyaa , Soukaina Naciri , Mouna Aamor , Mouad Boutkbout Nait Moudou , Loubna Halil , Tarik EL Ouafy","doi":"10.1016/j.jics.2025.102344","DOIUrl":"10.1016/j.jics.2025.102344","url":null,"abstract":"<div><div>This research investigates the adsorption of water molecules on gold and copper surfaces using density functional theory (DFT) with five exchange-correlation functionals. For the Au(111) substrate, the LDA functional gives the highest adsorption energy for water molecules (0.236 eV), whereas the PBE functional provides a lower value of 0.04 eV. On the Cu(111) surface, the adsorption energies are 0.27 eV and 0.03 eV for the LDA and PBE functionals, respectively. Two distinct orientations of water molecules were identified: those with hydrogen atoms pointing downward and those with hydrogen atoms pointing upward. The interpolation method transformed scattered data points into continuous functions, accurately representing adsorption phenomena difficult to measure continuously. We calculated key parameters of the water molecule, including the O–H bond length, HOH angle, dipole moment (μ), and partial charge per elementary charge of the hydrogen atom (q<sub>H</sub>/e). These variables were expressed as functions of the adsorption energy, and the resulting data points were fitted using polynomials of degrees 4, 3, 2, and 1. The dipole moment was further transformed into polynomials of degrees 12, 9, 6, and 3, respectively, due to its dependence on the product of d<sub>O–H</sub>, the HOH angle, and (q<sub>H</sub>/e). Convergence was achieved within defined intervals for the adsorption energy. Most of the obtained polynomial fittings exhibit R<sup>2</sup> values greater than 0.8. The selection of energy ranges in which the n-order polynomials of the dipole moment obtained directly match the 3n-order polynomials obtained by performing the product. Through these ranges and knowing the energy value, various water-specific variables can be calculated.This has been verified based on some literature, as mentioned, and will be discussed in detail in the Results and Discussion section. This study highlights the innovative use of polynomial interpolation as a simple and efficient alternative to traditional DFT curve-fitting and machine-learning methods.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102344"},"PeriodicalIF":3.4,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837460","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}
The increasing demand for readily soluble and biocompatible pharmaceuticals has led to the development of active pharmaceutical ingredients that utilize cyclodextrins (CDs) in the form of inclusion complexes. These products enhance the solubility and bioavailability of drugs. In this study, we developed inclusion complexes (ICs) of the anti-inflammatory drug loxoprofen (LXP) using native β-cyclodextrin (BCD) and its methyl derivative (MCD). The formation of these complexes was confirmed through absorbance, fluorescence measurements, proton NMR, and ROESY analyses, indicating a 1:1 stoichiometric ratio between LXP and CDs. Proton NMR and cross-peaks of ROESY measurements revealed that LXP is partially encapsulated in both CDs. Computational data from DFT calculations further supported these findings, confirming the stability of the complexes. The inclusion of products significantly enhanced the solubility, bioavailability, and anti-inflammatory efficacy of LXP, suggesting improved therapeutic potential for inflammatory conditions. These results highlight the potential of CDs in strengthening the delivery and efficiency of LXP.
{"title":"A biocompatible anti-inflammatory material from loxoprofen with native and methyl-substituted β-cyclodextrin","authors":"Rajaram Rajamohan , Perumal Muthuraja , Sekar Ashokkumar , Mani Muralikrishnan , Kuppusamy Murugavel , Seho Sun","doi":"10.1016/j.jics.2025.102346","DOIUrl":"10.1016/j.jics.2025.102346","url":null,"abstract":"<div><div>The increasing demand for readily soluble and biocompatible pharmaceuticals has led to the development of active pharmaceutical ingredients that utilize cyclodextrins (CDs) in the form of inclusion complexes. These products enhance the solubility and bioavailability of drugs. In this study, we developed inclusion complexes (ICs) of the anti-inflammatory drug loxoprofen (LXP) using native β-cyclodextrin (BCD) and its methyl derivative (MCD). The formation of these complexes was confirmed through absorbance, fluorescence measurements, proton NMR, and ROESY analyses, indicating a 1:1 stoichiometric ratio between LXP and CDs. Proton NMR and cross-peaks of ROESY measurements revealed that LXP is partially encapsulated in both CDs. Computational data from DFT calculations further supported these findings, confirming the stability of the complexes. The inclusion of products significantly enhanced the solubility, bioavailability, and anti-inflammatory efficacy of LXP, suggesting improved therapeutic potential for inflammatory conditions. These results highlight the potential of CDs in strengthening the delivery and efficiency of LXP.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102346"},"PeriodicalIF":3.4,"publicationDate":"2025-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-10DOI: 10.1016/j.jics.2025.102338
Dheeraj P. Das , Hanna Ameena , Resmi M. Ramakrishnan , Poovathinthodiyil Raveendran
Supercritical CO2 is employed as a green and safe mixing medium for the preparation of a composite of salbutamol sulfate (SS), a commonly used drug for asthma and other pulmonary diseases, dispersed in poly (ethylene glycol) (PEG). PEG undergoes deliquescence in the gas phase CO2 at high pressures or supercritical conditions and becomes easily amenable to liquid phase mixing, enabling the facile mixing of the drug and the excipient, forming an amorphous drug-excipient composite. The SS-PEG composite (1:20, w/w) prepared was characterised by FE-SEM, XRD, and Raman imaging. Spontaneous drug release studies using UV–Vis spectroscopy demonstrate that most of the drug gets released in about 6–7 h, indicating that it can be used for sustained oral drug delivery. Drug release profiles of the composite prepared using supercritical CO2 are observed to be comparable to those prepared using acetone.
{"title":"Sustained release composites of salbutamol sulfate embedded in polyethylene glycol prepared using supercritical CO2 as a green mixing medium","authors":"Dheeraj P. Das , Hanna Ameena , Resmi M. Ramakrishnan , Poovathinthodiyil Raveendran","doi":"10.1016/j.jics.2025.102338","DOIUrl":"10.1016/j.jics.2025.102338","url":null,"abstract":"<div><div>Supercritical CO<sub>2</sub> is employed as a green and safe mixing medium for the preparation of a composite of salbutamol sulfate (SS), a commonly used drug for asthma and other pulmonary diseases, dispersed in poly (ethylene glycol) (PEG). PEG undergoes deliquescence in the gas phase CO<sub>2</sub> at high pressures or supercritical conditions and becomes easily amenable to liquid phase mixing, enabling the facile mixing of the drug and the excipient, forming an amorphous drug-excipient composite. The SS-PEG composite (1:20, w/w) prepared was characterised by FE-SEM, XRD, and Raman imaging. Spontaneous drug release studies using UV–Vis spectroscopy demonstrate that most of the drug gets released in about 6–7 h, indicating that it can be used for sustained oral drug delivery. Drug release profiles of the composite prepared using supercritical CO<sub>2</sub> are observed to be comparable to those prepared using acetone.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102338"},"PeriodicalIF":3.4,"publicationDate":"2025-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145837451","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 recent years, there has been a growing interest in the synthesis of novel compounds with medicinal potential, particularly those exhibiting antioxidant properties, due to their ability to delay, prevent, or eliminate oxidative damage in target cells. In this study, synthesis and comprehensive characterization of three novel copper(II) complexes, [Cu(L1)(phen)] (1), [Cu(L1)(py-phen)] (2) and [Cu(L2)(py-phen)] (3),—featuring Schiff base ligands derived from 5-chlorosalicylaldehyde and valine (L1)/glycine (L2), phen: 1,10-phenanthroline, py-phen: pyrazino[2,3-f][1,10]phenanthroline—were carried out using electronic absorption spectroscopy, CHN analysis, FTIR, ESI-MS, and X-ray diffraction. Electronic absorption and fluorescence spectroscopy were employed to investigate the interactions between the complexes 1–3 and CT-DNA, trypsin, and urease. The complexes 1–3 were found to bind CT-DNA through minor groove interaction, while their fluorescence quenching with trypsin and urease proceeded via a static mechanism. To better understand the molecular basis of these biological effects, molecular docking simulations were employed to evaluate the binding affinities and interaction profiles of the complexes 1–3 against three biologically relevant macromolecular targets: B-DNA, trypsin, and urease. The docking results revealed high binding affinities, particularly toward DNA, and moderate interactions with trypsin and urease. These findings highlight the role of non-classical interactions such as π–anion, π–sulphur, π–π stacking, and carbon–hydrogen bonds in stabilizing the complexes 1–3 within biologically relevant binding sites. Importantly, the complexes 1–3 preferentially engaged in minor groove binding to DNA and occupied catalytic clefts in the enzymes without directly interfering with key active residues. The docking results provide a molecular basis for the observed or anticipated biological activities and support the potential of the complexes 1–3 as candidates for further pharmacological evaluation. In vitro assessment of the complexes' antioxidant activity revealed a moderate scavenging efficiency. The findings of this study deepen the understanding of the complexes 1–3's interactions with enzymes and emphasize their value in biomedical and pharmaceutical research.
{"title":"Biomedical potential of novel copper(II) complexes: From synthesis and characterization to biointeraction profiles and molecular docking approaches","authors":"Duygu İnci Özbağcı , Sevinç İlkar Erdağı , Rahmiye Aydın , Yunus Zorlu","doi":"10.1016/j.jics.2025.102336","DOIUrl":"10.1016/j.jics.2025.102336","url":null,"abstract":"<div><div>In recent years, there has been a growing interest in the synthesis of novel compounds with medicinal potential, particularly those exhibiting antioxidant properties, due to their ability to delay, prevent, or eliminate oxidative damage in target cells. In this study, synthesis and comprehensive characterization of three novel copper(II) complexes, [Cu(L1)(phen)] (<strong>1</strong>), [Cu(L1)(py-phen)] (<strong>2</strong>) and [Cu(L2)(py-phen)] (<strong>3</strong>),—featuring Schiff base ligands derived from 5-chlorosalicylaldehyde and valine (L1)/glycine (L2), phen: 1,10-phenanthroline, py-phen: pyrazino[2,3-f][1,10]phenanthroline—were carried out using electronic absorption spectroscopy, CHN analysis, FTIR, ESI-MS, and X-ray diffraction. Electronic absorption and fluorescence spectroscopy were employed to investigate the interactions between the complexes <strong>1</strong>–<strong>3</strong> and CT-DNA, trypsin, and urease. The complexes <strong>1</strong>–<strong>3</strong> were found to bind CT-DNA through minor groove interaction, while their fluorescence quenching with trypsin and urease proceeded via a static mechanism. To better understand the molecular basis of these biological effects, molecular docking simulations were employed to evaluate the binding affinities and interaction profiles of the complexes <strong>1</strong>–<strong>3</strong> against three biologically relevant macromolecular targets: B-DNA, trypsin, and urease. The docking results revealed high binding affinities, particularly toward DNA, and moderate interactions with trypsin and urease. These findings highlight the role of non-classical interactions such as π–anion, π–sulphur, π–π stacking, and carbon–hydrogen bonds in stabilizing the complexes <strong>1</strong>–<strong>3</strong> within biologically relevant binding sites. Importantly, the complexes <strong>1</strong>–<strong>3</strong> preferentially engaged in minor groove binding to DNA and occupied catalytic clefts in the enzymes without directly interfering with key active residues. The docking results provide a molecular basis for the observed or anticipated biological activities and support the potential of the complexes <strong>1</strong>–<strong>3</strong> as candidates for further pharmacological evaluation. In vitro assessment of the complexes' antioxidant activity revealed a moderate scavenging efficiency. The findings of this study deepen the understanding of the complexes <strong>1</strong>–<strong>3</strong>'s interactions with enzymes and emphasize their value in biomedical and pharmaceutical research.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102336"},"PeriodicalIF":3.4,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749451","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-09DOI: 10.1016/j.jics.2025.102337
Arfiana , Asep Handaya Saputra , Muhammad Dikdik Gumelar
The growing demand for environmentally friendly, safer materials has intensified the search for halogen-free flame retardants in polymer composites. Polyester resin, while versatile and cost-effective, is highly flammable, limiting its broader application. Conventional halogenated flame retardants are effective but release toxic and corrosive byproducts, raising environmental and health concerns. This study presents an eco-friendly flame-retardant approach by combining non-halogenated metal hydroxides, aluminum trihydroxide (ATH) and magnesium hydroxide (MH), with carbon black (CB) in polyester resin composites. The synergistic use of ATH and MH with 2.5–5 % carbon black markedly enhanced flame retardancy, allowing the composites to consistently reach the highest UL-94 V-0 rating. The combined effect of these three additives also produced superior thermal stability, indicated by the highest onset temperature for 50 % weight loss at 426.30 °C, the lowest mass loss rate (MLR) of 4.2 %/min, and the highest residual char residue of 34.1 %. Morphological and elemental mapping analyses indicate the formation of a protective barrier layer generated from the decomposition products of ATH and MH, further reinforced by carbon black. This synergistic halogen-free system offers an eco-conscious and efficient solution for improving the flame retardancy of polyester composites, aligning with green material development and regulatory trends.
{"title":"Eco-friendly flame retardant approach: synergistic role of non-halogenated hydroxides and carbon additives in polyester composites","authors":"Arfiana , Asep Handaya Saputra , Muhammad Dikdik Gumelar","doi":"10.1016/j.jics.2025.102337","DOIUrl":"10.1016/j.jics.2025.102337","url":null,"abstract":"<div><div>The growing demand for environmentally friendly, safer materials has intensified the search for halogen-free flame retardants in polymer composites. Polyester resin, while versatile and cost-effective, is highly flammable, limiting its broader application. Conventional halogenated flame retardants are effective but release toxic and corrosive byproducts, raising environmental and health concerns. This study presents an eco-friendly flame-retardant approach by combining non-halogenated metal hydroxides, aluminum trihydroxide (ATH) and magnesium hydroxide (MH), with carbon black (CB) in polyester resin composites. The synergistic use of ATH and MH with 2.5–5 % carbon black markedly enhanced flame retardancy, allowing the composites to consistently reach the highest UL-94 V-0 rating. The combined effect of these three additives also produced superior thermal stability, indicated by the highest onset temperature for 50 % weight loss at 426.30 °C, the lowest mass loss rate (MLR) of 4.2 %/min, and the highest residual char residue of 34.1 %. Morphological and elemental mapping analyses indicate the formation of a protective barrier layer generated from the decomposition products of ATH and MH, further reinforced by carbon black. This synergistic halogen-free system offers an eco-conscious and efficient solution for improving the flame retardancy of polyester composites, aligning with green material development and regulatory trends.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102337"},"PeriodicalIF":3.4,"publicationDate":"2025-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749457","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}
Biohydrogels have gained attention as effective materials for adsorbing metal ions, owing to their remarkable swelling behaviour, large surface area, and the availability of functional groups that can intermingle with metal ions. The existence of heavy metal ions (HMIs) like Co(II) and Cu(II) in water sources presents serious environmental and health concerns. This study explores the use of a biohydrogel(cellulose xanthate-based) termed CLEAN hydrogel, for Co(II) and Cu(II) ions adsorption from aqueous media. Four variants of the CLEAN hydrogel were synthesized via free radical polymerization with two monomers-Ethyl acrylate (EA) and acrylic acid (AA) as monomers. Such compositions were optimized considering swelling behaviour, and the point of zero charge (pHpzc). Results revealed that CLEAN-3 exhibited a negative surface charge across a wide pH range, enhancing both swelling and metal ion adsorption. The CLEAN-3 adsorbent showed the highest swelling capacity of 246.81 gg/g in distilled water. Under optimal conditions, CLEAN-3 hydrogel attained removal efficacies of 96.98 % for Co(II) and 98.73 % for Cu(II) ions. According to Langmuir isotherm model, its extreme adsorption capacities were 772.67 mg/g for Co(II) and 830.06 mg/g for Cu(II) ions. Furthermore, CLEAN-3 demonstrated a desorption efficiency of 88.62 % for Cu(II) and 86.342 % for Co(II) ions after five adsorption–desorption cycles, confirming its excellent reusability and cost-effectiveness. These findings conclude that CLEAN hydrogel is an economical, efficient, and eco-friendly adsorbent for remediating heavy metal pollution in aquatic environments.
{"title":"Fabrication of CLEAN-bio hydrogels: Highly efficient adsorbent materials for heavy metal remediation","authors":"Kopal Kashaudhan , Poorn Prakash Pande , Jyoti Sharma , Aradhana Chaudhary","doi":"10.1016/j.jics.2025.102335","DOIUrl":"10.1016/j.jics.2025.102335","url":null,"abstract":"<div><div>Biohydrogels have gained attention as effective materials for adsorbing metal ions, owing to their remarkable swelling behaviour, large surface area, and the availability of functional groups that can intermingle with metal ions. The existence of heavy metal ions (HMIs) like Co(II) and Cu(II) in water sources presents serious environmental and health concerns. This study explores the use of a biohydrogel(cellulose xanthate-based) termed CLEAN hydrogel, for Co(II) and Cu(II) ions adsorption from aqueous media. Four variants of the CLEAN hydrogel were synthesized via free radical polymerization with two monomers-Ethyl acrylate (EA) and acrylic acid (AA) as monomers. Such compositions were optimized considering swelling behaviour, and the point of zero charge (pHpzc). Results revealed that CLEAN-3 exhibited a negative surface charge across a wide pH range, enhancing both swelling and metal ion adsorption. The CLEAN-3 adsorbent showed the highest swelling capacity of 246.81 gg/g in distilled water. Under optimal conditions, CLEAN-3 hydrogel attained removal efficacies of 96.98 % for Co(II) and 98.73 % for Cu(II) ions. According to Langmuir isotherm model, its extreme adsorption capacities were 772.67 mg/g for Co(II) and 830.06 mg/g for Cu(II) ions. Furthermore, CLEAN-3 demonstrated a desorption efficiency of 88.62 % for Cu(II) and 86.342 % for Co(II) ions after five adsorption–desorption cycles, confirming its excellent reusability and cost-effectiveness. These findings conclude that CLEAN hydrogel is an economical, efficient, and eco-friendly adsorbent for remediating heavy metal pollution in aquatic environments.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102335"},"PeriodicalIF":3.4,"publicationDate":"2025-12-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145798290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-06DOI: 10.1016/j.jics.2025.102331
Meshal Fatima , Nawal K. Almaymoni , Hussain Sawwan , Hala M. Abo-Dief , Ahmed Hussain Jawhari , Rizwan Ul Hassan , Abhinav Kumar
This study effectively reported a SrCuO2/reduced graphene oxide (rGO) through a straightforward hydrothermal process and comprehensively assessed its efficacy as an electrocatalyst for HER in alkaline media. Physical, morphological, and surface investigations validated the identical distribution of SrCuO2 nanoparticles on rGO sheets, where the conductive graphene framework inhibited agglomeration and enhanced electron mobility. This implemented structure significantly enhanced the specific surface area (SSA), produced numerous electrochemically active sites, and enabled fast charge transfer during HER process. Electrochemical assessments demonstrated that the SrCuO2/rGO nanocomposite displayed enhanced HER activity relative to pure SrCuO2, attaining a reduced η (184 mV) (−10 mA cm−2) and Tafel slope (57 mV dec−1), signifying accelerated reaction kinetics dictated by the Volmer-Heyrovsky mechanism. Moreover, SrCuO2/rGO exhibited remarkable stability, sustaining consistent performance for over 60 h during chronoamperometric testing and displaying minimal reduction after 3000 LSV cycles. The findings validate that the SrCuO2/rGO nanocomposite serves as a low-cost, durable, and remarkably effective electroactive catalyst, demonstrating significant potential for feasible and sustainable H2 creation in alkaline water-splitting systems.
本研究通过简单的水热工艺有效地报道了SrCuO2/还原氧化石墨烯（rGO），并全面评估了其在碱性介质中作为HER电催化剂的效果。物理、形态和表面研究证实了SrCuO2纳米颗粒在氧化石墨烯薄片上的相同分布，其中导电石墨烯框架抑制团聚并增强电子迁移率。这种结构显著提高了比表面积（SSA），产生了大量的电化学活性位点，并在HER过程中实现了快速电荷转移。电化学评价表明，相对于纯SrCuO2， SrCuO2/rGO纳米复合材料表现出增强的HER活性，η降低（184 mV）（−10 mA cm−2），Tafel斜率降低（57 mV dec−1），表明Volmer-Heyrovsky机制加速了反应动力学。此外，SrCuO2/rGO表现出显著的稳定性，在时间电流测试中保持60小时以上的稳定性能，并且在3000 LSV循环后表现出最小的降低。研究结果表明，SrCuO2/rGO纳米复合材料是一种低成本、耐用且非常有效的电活性催化剂，在碱性水分解系统中具有可行性和可持续性的氢气生成潜力。
{"title":"SrCuO2 Anchored on reduced graphene oxide: A robust and cost-effective electroactive catalyst for alkaline hydrogen evolution reaction (HER)","authors":"Meshal Fatima , Nawal K. Almaymoni , Hussain Sawwan , Hala M. Abo-Dief , Ahmed Hussain Jawhari , Rizwan Ul Hassan , Abhinav Kumar","doi":"10.1016/j.jics.2025.102331","DOIUrl":"10.1016/j.jics.2025.102331","url":null,"abstract":"<div><div>This study effectively reported a SrCuO<sub>2</sub>/reduced graphene oxide (rGO) through a straightforward hydrothermal process and comprehensively assessed its efficacy as an electrocatalyst for HER in alkaline media. Physical, morphological, and surface investigations validated the identical distribution of SrCuO<sub>2</sub> nanoparticles on rGO sheets, where the conductive graphene framework inhibited agglomeration and enhanced electron mobility. This implemented structure significantly enhanced the specific surface area (SSA), produced numerous electrochemically active sites, and enabled fast charge transfer during HER process. Electrochemical assessments demonstrated that the SrCuO<sub>2</sub>/rGO nanocomposite displayed enhanced HER activity relative to pure SrCuO<sub>2</sub>, attaining a reduced η (184 mV) (−10 mA cm<sup>−2</sup>) and Tafel slope (57 mV dec<sup>−1</sup>), signifying accelerated reaction kinetics dictated by the Volmer-Heyrovsky mechanism. Moreover, SrCuO<sub>2</sub>/rGO exhibited remarkable stability, sustaining consistent performance for over 60 h during chronoamperometric testing and displaying minimal reduction after 3000 LSV cycles. The findings validate that the SrCuO<sub>2</sub>/rGO nanocomposite serves as a low-cost, durable, and remarkably effective electroactive catalyst, demonstrating significant potential for feasible and sustainable H<sub>2</sub> creation in alkaline water-splitting systems.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"103 1","pages":"Article 102331"},"PeriodicalIF":3.4,"publicationDate":"2025-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145749561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
扫码关注我们
求助内容：
应助结果提醒方式：
京公网安备 11010802042870号