Journal of the Indian Chemical Society最新文献

{"title":"Enhanced photoelectrochemical properties of TiO2 nanorods decorated with Ag–Zn bimetallic nanoparticles","authors":"Oluwaseun Adedokun ,&nbsp;Abeeb O. Muraina ,&nbsp;Olayinka J. Oyewole ,&nbsp;Shweta Vyas ,&nbsp;Mohamed M. Ibrahim ,&nbsp;Gaber A.M. Mersal ,&nbsp;Gbemiga M. Lana ,&nbsp;Oluwatosin S. Obaseki ,&nbsp;Fong K. Yam","doi":"10.1016/j.jics.2025.101708","DOIUrl":"10.1016/j.jics.2025.101708","url":null,"abstract":"<div><div>TiO₂ nanorods, a promising photocatalyst, suffer from insufficient visible light absorption and rapid charge recombination. This study addresses these limitations by decorating TiO₂ nanorods with Ag–Zn bimetallic nanoparticles. Characterization techniques, including FE-SEM, AFM, XRD, EDX, and UV–vis spectroscopy, established the effective synthesis of the nanostructures and the incorporation of the bimetallic nanoparticles. The introduction of Ag–Zn nanoparticles significantly enhanced absorption of light in visible spectrum, leading to a lessened bandgap from 3.04 eV to 2.72 eV. Photoelectrochemical measurements demonstrated a substantial improvement in photocurrent density, reaching a maximum of 0.385 mA/cm² at 1.2 V vs Ag/AgCl for Zn@TiO₂, compared to 0.033 mA/cm² for undecorated TiO₂. These findings highlight how well the suggested strategy in improving the photoelectrochemical performance of TiO₂ nanorods, paving the way for advanced solar energy conversion applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 6","pages":"Article 101708"},"PeriodicalIF":3.2,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824106","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}

{"title":"On water: Catalyst-free ring-opening aminolysis of dihydrocoumarin for amide bond formation","authors":"Sudha Soliya,&nbsp;Piyushkumar Satani,&nbsp;Ketan Kuperkar,&nbsp;Togati Naveen,&nbsp;Sivaiah Areti","doi":"10.1016/j.jics.2025.101697","DOIUrl":"10.1016/j.jics.2025.101697","url":null,"abstract":"<div><div>An eco-friendly one-pot reaction strategy for synthesizing ring-opening aminolysis of dihydrocoumarin in high product yields in water at room temperature has been developed. This is a straightforward, 100 % atom-economic, ecologically benign, and long-lasting method for producing relevant N-aryl amide scaffolds is to use amines in catalyst-free ring-opening aminolysis of dihydrocoumarin. Here, we report the catalyst-free, mildly operating conditions, ubiquitous, and highly efficient synthesis of N-aryl amides from dihydro coumarin and poorly reactive amines using water. Various amine substrates with different functional groups and substituents have been examined under optimal conditions, employing dihydro coumarin as a reaction partner. This method has significant application potential, as evidenced by the formal synthesis of drug-relevant molecules.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101697"},"PeriodicalIF":3.2,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815809","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}

{"title":"A comprehensive investigation into the spectroscopic properties, solvent effects on electronic properties, structural characteristics, topological insights, reactive sites, and molecular docking of racecadotril: A potential antiviral and antiproliferative agent","authors":"R. Manjula ,&nbsp;C. Pavithra ,&nbsp;A. Ram Kumar ,&nbsp;K. Durgadevi ,&nbsp;Babu Balraj ,&nbsp;S. Selvaraj","doi":"10.1016/j.jics.2025.101702","DOIUrl":"10.1016/j.jics.2025.101702","url":null,"abstract":"<div><div>Racecadotril (RCL), a sulfur-containing compound, was analyzed through theoretical and experimental techniques to explore its structural, spectroscopic, electronic, and biological properties. C–H bonds primarily contribute to bond distances, while C–C–H angles are the most dominant among bond angles. The impact of solvent polarity on the Frontier Molecular Orbitals (FMO), electronic spectra, and Molecular Electrostatic Potential (MEP) mapping was examined, with a focus on polar solvents such as DMSO, ethanol, methanol, and water, as well as non-polar solvents like cyclohexane, toluene, and chloroform. Vibrational spectra exhibited characteristic bands associated with CH₃, CH₂, CH, NH, CC, CO, and CS stretching and deformation modes. Excitation wavelengths were identified in polar solvents at approximately 253 nm, 231 nm, and 229 nm, with corresponding wavenumbers ranging from 39496 cm⁻¹ to 43647 cm⁻¹. In contrast, non-polar solvents caused a slight red shift, with wavenumbers ranging from 39241 cm⁻¹ to 43605 cm⁻¹, indicating solvent-dependent electronic transitions. Lone pair interactions played a crucial role in molecular stabilization, with nitrogen-to-oxygen charge transfer contributing 49.21 kJ/mol, oxygen-to-oxygen at 48.04 kJ/mol, and carbon-carbon delocalization within a conjugated system at 21.45 kJ/mol. Mulliken charge analysis and MEP mapping further confirmed the presence of nucleophilic nitrogen and oxygen, electrophilic carbonyl carbons, and electron-withdrawing sulfur, with H33 exhibiting the highest electrophilicity due to nitrogen polarization. A topological study identified localized, delocalized, and weak interactions, shedding light on its electronic characteristics. Furthermore, molecular docking conducted against SARS-CoV-2 main proteases, spike glycoprotein, and oncoproteins from the SMAD family demonstrated the RCL's potential antiviral and antiproliferative activity.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101702"},"PeriodicalIF":3.2,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800010","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}

{"title":"Neutron irradiation of Gd doped Mn ferrite by 241Am – 9Be source and study of their structural and electrical properties","authors":"Raveena Malviya ,&nbsp;Ram Kumar Meena ,&nbsp;Surendra Degra ,&nbsp;Nitin Kumar Bawalia ,&nbsp;Madhu Yadav ,&nbsp;Arvind Kumar ,&nbsp;Naresh Chejara ,&nbsp;Dalpat Meena ,&nbsp;Shailendra Kumar Gupta","doi":"10.1016/j.jics.2025.101704","DOIUrl":"10.1016/j.jics.2025.101704","url":null,"abstract":"<div><div>The study of neutron-induced damage is vital to understanding the safe operation of nuclear reactors and in space exploration. Positron Annihilation Spectroscopy (PAS) is a pivotal technique for defect analysis, where the Doppler broadening part is essential for assessing defects generated by neutrons within the energy range of up to 10 MeV. Gadolinium-doped manganese nanoferrite samples of varying concentrations were synthesized via the sol-gel method. These samples were subsequently irradiated using a 5 Ci, ²⁴¹Am-⁹Be source (emitting approximately 1.25 × 10⁷ neutrons per second) over one and two months. A 35 mCi, ²²Na positron source was used for PAS measurements. DB-PAS of the samples was carried out utilizing an HPGe detector.</div><div>Pristine and irradiated samples were characterized through XRD, XPS, I–V measurements, and PAS. The nanoferrite samples were confirmed, and variations in different parameters, including peak shifts and intensity variations, were observed via XRD. The average crystalline size varies within the range of 13–22 nm. XPS analysis of the samples was also performed, and variation in intensity was observed. The measurements of both S and W parameters correspond to the momentum distribution of valence and core electrons in pristine and irradiated samples for observing change after irradiation. The dielectric properties of the ferrites were confirmed using a Keithley instrument, and no change occurred after irradiation.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101704"},"PeriodicalIF":3.2,"publicationDate":"2025-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143815811","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}

{"title":"Synthesis of New Lanthanum-terephthalamide complexes, their characterization and antimicrobial properties","authors":"R.K. Soni ,&nbsp;Manisha Bhardwaj ,&nbsp;Priyanka Kakkar ,&nbsp;Vishu Sharma","doi":"10.1016/j.jics.2025.101701","DOIUrl":"10.1016/j.jics.2025.101701","url":null,"abstract":"<div><div>Polyethylene Terephthalate (PET) is a widely accepted and immensely popular packaging material, it is non-biodegradable and creates environmental hazards if disposed of in landfills. An attempt has been made to prepare aromatic amides like Terephthalamide, N,N, dimethylterephthalamide, N,N,dibutyl terephthalamide and Terephthalic dihydrazide by the reaction of Polyethylene terephthalate with different amines using ethylene diamine, methylamine, n- butylamine and hydrazine monohydrate respectively. In the present study lanthanum complex with these amides have been prepared and characterized. An analytical study for end products of aromatic amides and their complexes have been analyzed through various spectroscopic techniques such as NMR, FT-IR, UV etc. to confirm the coordination of lanthanum with amide through O and formation of complexes. The studies confirm successful synthesis of complexes which remain stable for longer time and at high temperature. An evaluation of antimicrobial activity of these amides and their complexes shows promising results.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 6","pages":"Article 101701"},"PeriodicalIF":3.2,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839379","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}

{"title":"Powder mixed electric discharge machining of hastelloy under distinct electric medium utilizing various electrode materials","authors":"R. Vijaya Kumar ,&nbsp;R. Sudhakaran","doi":"10.1016/j.jics.2025.101692","DOIUrl":"10.1016/j.jics.2025.101692","url":null,"abstract":"<div><div>This study investigated the effects of process parameters on Material Removal Rate (MRR), Tool Wear Rate (TWR), and surface roughness (Ra) in die-sinking Electrical Discharge Machining (EDM) of Hastelloy whereas Copper (Cu), Copper–Tungsten (CuW), and Graphite (Gr) were utilized as tool electrodes. A modified Powder Mixed EDM (PMEDM) setup was employed with dielectric fluids containing Carbon Nanotubes (CNT), Copper (Cu), and Aluminum Oxide (Al₂O₃), using both hydrocarbon oil and palm oil. Results indicated that hydrocarbon oil generally achieved higher MRR due to its superior dielectric strength and thermal conductivity compared to palm oil. The incorporation of Al₂O₃ particles resulted in the highest MRR, while CNTs led to the lowest MRR due to poor suspension and excessive conductivity. Tool wear was observed to be higher with hydrocarbon oil due to its lower flash point, whereas palm oil demonstrated lower tool wear due to its higher flash point and viscosity. Positive polarity consistently yielded lower TWR compared to negative polarity. The results revealed that the higher currents and longer pulse durations increasing tool wear. Surface roughness was found to be lower with hydrocarbon oil and improved with Cu–W electrodes due to their high melting points and thermal conductivity. The mathematical models for MRR and Ra under both optimal and non-optimal powder concentrations were developed. Sensitivity analysis identified pulse duration as having the highest impact on MRR, while Ra model indicated that tool material had the highest sensitivity, followed by the dielectric fluid's properties, which affected surface quality. The analysis of surface topography revealed features such as globules, cracks, and redeposited layers, which were indicative of localized melting and re-solidification during the EDM process. The optimal parameter was identified using the VIKOR optimization technique.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101692"},"PeriodicalIF":3.2,"publicationDate":"2025-04-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143808242","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}

{"title":"Investigation of carbon dioxide absorption with glycerol and glycerol + sodium hydroxide hybrid solutions using stirred cell reactor","authors":"İrem Koçyiğit Çapoğlu,&nbsp;Hazal Öztan,&nbsp;Duygu Uysal,&nbsp;Özkan M. Doğan","doi":"10.1016/j.jics.2025.101685","DOIUrl":"10.1016/j.jics.2025.101685","url":null,"abstract":"<div><div>The major effect of global warming is accepted as excessive carbon dioxide (CO₂) emission. The absorption process is widely used to reduce CO₂ emission and capture it at the source. This study investigated glycerol, a biodiesel waste by-product, for CO₂ absorption. Glycerol has a high boiling point and is very soluble in water. It is a suitable solvent for CO₂ absorption due to its low vapor pressure, low volatility, ease of access, and low solvent loss. The studies were performed using a stirred cell reactor and experiments were carried out at ambient temperature (20^oC) and atmospheric pressure (91 kPa). In experiments, the total CO₂ absorption capacities and dissolution rates were investigated using 5–40 wt% aqueous glycerol solutions and also using hybrid solvents by the equi-volume mixing of them to 0.5 M aqueous solution of sodium hydroxide (NaOH). As a result, 5, 10, and 15 wt% glycerol and 0.5 M NaOH hybrid solutions had an increasing trend on CO₂ absorption capacity and rate of absorption, in which the best results gave at 15 wt% glycerol+0.5 M NaOH between hybrid solutions. In addition, using glycerol for CO₂ capture processes has great potential in terms of waste management of biodiesel process. Density and viscosity of all solutions were determined by experimentally. Functional groups were also determined by FTIR analysis of pure and CO₂-loaded glycerol and glycerol + NaOH hybrid solutions.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101685"},"PeriodicalIF":3.2,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800268","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}

{"title":"A renewable strategy for producing levulinic acid from wheat straw as sustainable lignocellulosic biomass","authors":"Ketaki S. Nalawade,&nbsp;Parag R. Gogate","doi":"10.1016/j.jics.2025.101703","DOIUrl":"10.1016/j.jics.2025.101703","url":null,"abstract":"<div><div>Levulinic acid (LA) is one of the top 12 value-added versatile chemicals and basically used to synthesize diverse range of products such as chemicals, fuels, and polymers. Developing sustainable routes for the production of levulinic acid using lignocellulosic biomass is an important research area. The current study demonstrates the direct usage of monosaccharides that are obtained following ultrasound assisted alkali pretreatment of wheat straw for the synthesis of levulinic acid also elucidating the effect of various operating factors of the hydrothermal conversion process on LA yield. The range of operating parameters investigated in the study include time (0–120min), temperature (140–180 °C), solid loading (4–10 %), agitation speed (200–450 RPM), acid concentration (3–8 %), and type of acids (HCl, H₃PO₄, H₂SO₄). The optimal parameters established in the study included temperature of 170 °C, 5 % sugar loading, and 4 % H₂SO₄ concentration that resulted in the highest levulinic acid yield (63.5 %) during 120 min, with nearly complete sugar conversion. The current study clearly revealed the sustainable conversion of wheat straw into levulinic acid with a demonstration of the best operating conditions during the hydrothermal conversion process for maximum LA formation.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101703"},"PeriodicalIF":3.2,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143800267","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}

{"title":"NHC-based Pd–PEPPSI complexes: Synthesis, characterization, DFT studies and catalytic activity in Suzuki–Miyaura cross coupling","authors":"Öznur Doğan Ulu ,&nbsp;Sümeyya Serin ,&nbsp;İsmail Özdemir","doi":"10.1016/j.jics.2025.101689","DOIUrl":"10.1016/j.jics.2025.101689","url":null,"abstract":"<div><div>Three new Pd-PEPPSI complexes (<strong>2a-c</strong>) with the general formula [PdBr₂(NHC)(Py)] were prepared via unsymmetrical benzimidazolium salts containing a 1-3-dioxane group on one of the nitrogen atoms and cyanopropyl, cyclobutyl or 2-methylbenzyl on the other side. All the compounds were isolated in excellent yields (68–85 %) and fully characterized using ¹H and ¹³C NMR, FT-IR, and elemental analysis. Additionally, the DFT (Density functional Theory) calculations carried out on complexes <strong>2a–c</strong> offers valuable insights on topics like physicochemical characteristics and reactivity tendencies, as well as further validations to the experimentally obtained data of examined Pd complexes. With regard to structural parameters, experimental and computational findings were revealed to be in alignment. A comparative analysis was conducted of the electronic properties, possible donor-acceptor interactions, and electrostatic surface properties of <strong>2a-c</strong>. A close examination of the computational findings reveals that cyanopropyl substitution leads to a relative increase in structural stability. Also, Pd-PEPPSI-type complexes with NHC ligands were applied as catalyst precursors in Suzuki cross-coupling reactions forming a wide range of biaryls with high yields. Therefore, the catalytic activities of the synthesized complexes in the Suzuki reaction were tested. The reactions were carried out at very low catalyst loading (0.25 mol%) in the presence of air using a green water-based solvent (<em>i-</em>PrOH:H₂O/1:3). The results demonstrated that the catalysts exhibited high activity in this reaction.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 5","pages":"Article 101689"},"PeriodicalIF":3.2,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143783045","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}

{"title":"Facile preparation and green synthesis of Ni/BiVO4 sensor for room temperature NH3 sensing","authors":"Humaira Seema ,&nbsp;Sidra Zaman ,&nbsp;Muhammad Zahid ,&nbsp;Zaiba Zafar ,&nbsp;Takashiro Akitsu","doi":"10.1016/j.jics.2025.101700","DOIUrl":"10.1016/j.jics.2025.101700","url":null,"abstract":"<div><div>Ammonia (NH₃), a toxic gas, requires highly sensitive detection even at low concentrations. In this study, nickel oxide nanoparticles (NiO NPs) were synthesized via a green chemistry approach using Tagetes patula leaf extract, with an optimal precursor-to-extract ratio of 1:4 determined by UV-Vis spectroscopy. Sunlight was identified as the most effective synthesis condition. Bismuth vanadate (BiVO₄) NPs were prepared via a solvothermal method, while the BiVO₄–NiO nanocomposite was fabricated using a hydrothermal approach. The materials were thoroughly characterized using energy-dispersive X-ray spectroscopy (EDX), UV-Vis spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, scanning electron microscopy (SEM), and X-ray diffraction (XRD). The NiO–BiVO₄-based gas sensor exhibited superior sensitivity toward NH₃ compared to acetone and ethanol, with an exceptional response of 97% at 136 ppm. The sensor demonstrated rapid response and recovery times (20 s and 80 s, respectively), a low detection limit of 8 ppm, and outstanding repeatability, long-term stability, and selectivity. These results highlight the potential of the BiVO₄–NiO nanocomposite for advanced gas-sensing applications.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 6","pages":"Article 101700"},"PeriodicalIF":3.2,"publicationDate":"2025-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143839380","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}