Journal of the Indian Chemical Society最新文献

{"title":"Nano Fe2O3/Ag/CeO2 catalyzed solvent free synthesis of 1,8 – di oxo octa hydro xanthene derivatives as potential anti-cancer agents","authors":"Mohammad Kazem Mohammadi ,&nbsp;Nasim Kakesh","doi":"10.1016/j.jics.2025.101600","DOIUrl":"10.1016/j.jics.2025.101600","url":null,"abstract":"<div><div>Biologically active 1,8–dioxo-octa-hydro-xanthene derivatives were synthesized using Fe₂O₃/Ag/CeO₂ nanoparticles as a catalyst under solvent-free conditions. synthesized xanthene derivatives have Excellent yields of products and simple work-up are attractive features of this green protocol. The findings indicate that the catalyst can be used for a minimum of five cycles with only a slight decline in catalytic activity. Furthermore, the catalyst's reusability was also examined in the case of benzaldehyde at 90 °C under solvent-free conditions. Fe₂O₃/Ag/CeO₂ nanoparticles were thoroughly analyzed using XRD, FESEM, and UV techniques. Various substituted xanthenes were prepared and tested for activity against HeLa, SKOV-3, LS-180, MCF7, and Raji cell lines and cultures. The results of the cytotoxic study indicated that the compounds exhibited weak to moderate activity. The reactivity order of halogen substitution appeared to be F &gt; Cl &gt; Br. 3a and 3b exhibited moderate activity against cell lines. The exist of an electron-withdrawing group to the opposite aromatic ring of dihydroxyxanthene derivatives increased the anticancer activity, while the electron-donating group had the opposite effect.</div><div>Furthermore, compound 3f with fluorine substitution demonstrated higher activity, highlighting the significance of this site for the cytotoxic activity of these compounds.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101600"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140794","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":"Surface modified CaO nanoparticles with CMC/D-carvone for enhanced anticancer, antimicrobial and antioxidant activities","authors":"Mickymaray Suresh ,&nbsp;Abdulaziz S. Alothaim ,&nbsp;Faleh A. Alfaleh ,&nbsp;Noorah Alsowayeh ,&nbsp;Kaviya Suresh ,&nbsp;Indumathi Thangavelu ,&nbsp;Palanisamy Arulselvan","doi":"10.1016/j.jics.2025.101586","DOIUrl":"10.1016/j.jics.2025.101586","url":null,"abstract":"<div><div>The rising prevalence of antimicrobial resistance and the continued challenge to cancer therapy are in desperate need of developing innovative therapeutic strategies. In this regard, the present research work focuses on the development of CaO NPs and CaO-CMC-Dcar nanocomposites for enhanced antimicrobial and anti-cancer activities. CaO nanoparticles were synthesized by facile one pot chemical approach and eventually functionalized with CMC and D-carvone biomolecules. XRD analysis revealed that the crystallite size for CaO and CaO-CMC-Dcar nanoparticles was found to be 21.18 nm and 17.02 nm respectively. The band gap values obtained for CaO and CaO-CMC-Dcar nanoparticles were 4.44 eV, and 4.25 eV respectively. The CaO-CMC-Dcar nanoparticles show absorption maxima at 292 nm, slightly red-shifted from bare CaO nanoparticles. HRTEM and SEM analysis revealed that the prepared samples were roughly spherical and agglomerated in nature. Antimicrobial activity was evaluated against methicillin-resistant <em>Staphylococcus aureus</em> (MRSA) and <em>Candida albicans</em>. The zone of inhibition (ZOI) for CaO-CMC-Dcar nanoparticles against MRSA and <em>C. albicans</em> was 20.1 ± 0.3 mm and 21.1 ± 0.2 mm, respectively, significantly higher than that of pure CaO nanoparticles (14.1 ± 0.2 mm and 13.2 ± 0.1 mm) and comparable to standard anti-bacterial streptomycin and antifungal fluconazole discs. Anticancer activity was assessed via MTT assay against MOLT-4 blood cancer cells, where the IC₅₀ values for CaO and CaO-CMC-Dcar nanoparticles were 22.6 μg/mL and 21.54 μg/mL, respectively. Additionally, CaO-CMC-Dcar nanoparticles exhibited enhanced antioxidant activity (80 %) compared to CaO (70 %) at 20 μg/mL, with performance comparable to that of Vitamin C. Experimental results revealed that the CaO-CMC-Dcar nanoparticles exhibited superior biological activity compared to pure CaO nanoparticles.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101586"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140795","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 and characterization of oleyl-based green surfactants for enhanced pigment dispersion","authors":"Hansraj V. Patil ,&nbsp;Ravindra D. Kulkarni ,&nbsp;Mohammad Ahmad Wadaan ,&nbsp;Nilesh P. Badgujar ,&nbsp;Karuppiah Nagaraj ,&nbsp;K. Raja ,&nbsp;Gajanan S. Ghodake","doi":"10.1016/j.jics.2025.101583","DOIUrl":"10.1016/j.jics.2025.101583","url":null,"abstract":"<div><div>This study reports the synthesis and evaluation of disodium oleyl ethanolamide sulfosuccinate monoester (DSOESS) as a surfactant, emphasizing its physicochemical properties and efficacy in dispersing pigment particles in water-based color concentrates. DSOESS, a moderate anionic surfactant, demonstrates significant potential for enhancing dispersion due to its surface-active properties. The synthesis involved the reaction of oleic acid with monoethanolamine, followed by esterification with maleic anhydride and subsequent sulfonation with sodium bisulfite. Structural confirmation was achieved through FTIR and ¹H NMR spectroscopy, and physicochemical properties, including pH and amine value, were assessed. Dispersion performance was evaluated using high-speed and bead milling techniques, with bead milling yielding superior particle size reduction. Additionally, DSOESS exhibited excellent foaming ability, foam stability, and antimicrobial activity. These findings establish DSOESS as a promising dispersing agent for pigment concentrates with potential applications in industrial formulations.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101583"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140670","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":"Polyvinyl pyrrolidone oxime-TiO2-phenylalanine composite as a moderate corrosion resistant over low-carbon steel surface in marine environment: Computational, synthesis and electrochemical findings","authors":"Priti Pahuja ,&nbsp;Meena Yadav ,&nbsp;Rajat Arora ,&nbsp;Monika Dhanda ,&nbsp;Mantesh Kumari Yadav ,&nbsp;Gaurav Jhaa ,&nbsp;Ajay Satija ,&nbsp;Sumit Kumar ,&nbsp;Suman Lata","doi":"10.1016/j.jics.2025.101598","DOIUrl":"10.1016/j.jics.2025.101598","url":null,"abstract":"<div><div>Corrosion resisting aptitude of modified polymer polyvinyl pyrrolidone as its oxime or PVPO after compositing with titanium dioxide (TiO₂) and phenylalanine (Phe) over frequently used low alloy steel (mild steel) or low carbon steel (LCS) surface is studied in the presence of saline water. Sol-gel method is adopted to synthesize PVPO-TiO₂-Phe, as a safe and influential corrosion inhibitor for mild steel in aqueous 3.5 % NaCl medium. The inhibition efficiency of the composite was explored using weight loss, electrochemical polarization and impedance spectroscopic techniques. Morphology of LCS substrate was tested by AFM and SEM techniques in presence and absence of the modified composite. Results showed that the trio combination prepared through sol-gel process provided appreciable protection, i. e. 85 % against corrosion in marine environment. Molecular Dynamics as well as the Density Functional Theory related studies are applied to correlate with the experimental inferences and consequent upon, these are found in fit relationship with the empirical data. A brief overview for protection mechanism that may be offered by the composite over the metal surface against the aggressive chloride ions is also comprehended.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101598"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140684","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":"Antimicrobial evaluation of microwave-assisted synthesized chromone derivative schiff base with divalent metal complexes and experimental methodologies","authors":"Poonam Yadav,&nbsp;Suman Kumari,&nbsp;Shobhana Sharma,&nbsp;Seema,&nbsp;Mamta Ranka","doi":"10.1016/j.jics.2025.101585","DOIUrl":"10.1016/j.jics.2025.101585","url":null,"abstract":"<div><div>Green chemistry concepts are in line with microwave-assisted synthesis as it is thought to be environmentally beneficial. This type of energy has been used widely and effectively in the synthesis of metal complexes and in organic compounds. The recent coordination chemistry accentuates the study of Schiff bases metal complexes properties entering the microscale from the macro level, and similar to peering into the interior structure of compounds. Synthesis of divalent Cobalt, Nickel and Copper complexes with Schiff base (E)-6-methyl-3-(1-(2-phenylhydrazineylidene) ethyl)-4H-chromen-4-one [L₁] as primary ligand and 8-Hydroxyquinoline (L₂) is used as a secondary ligand. Schiff base (E)-6-methyl-3-(1-(2-phenylhydrazineylidene) ethyl)-4H-chromen-4-one [L₁] derived from phenyl hydrazine with 3-formyl-6-methylchromone. The structural investigation was carried out using FTIR, mass spectra, ¹H NMR, ¹³C NMR, and electronic spectra. The thermal behaviour of synthesized complexes was investigated through thermogravimetric analysis (TGA) and differential scanning calorimeter (DSC) techniques. The crystalline nature of complexes was investigated through the powder XRD technique. Analytic data, elemental analysis, and molar conductance characterised novel transition metal complexes with freshly synthesized ligand (L₁). The elemental analysis reveals the molar ratio of metal complexes as 1:1:1 (M:L₁:L₂) and synthesized metal complexes have octahedral geometry. Antimicrobial efficacy was examined using the agar well diffusion method at various concentrations. Given the biological activity, the effectiveness of antimicrobial properties is typically more potent concerning metal complexes than free Schiff base ligands according to biological data.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101585"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140686","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":"The synthesis, sensor and biological properties of two novel rhodanine derivative molecules","authors":"Erbay Kalay ,&nbsp;Oguz Özbek ,&nbsp;Muhammed Elik ,&nbsp;Caglar Berkel ,&nbsp;Osman Nuri Aslan","doi":"10.1016/j.jics.2025.101591","DOIUrl":"10.1016/j.jics.2025.101591","url":null,"abstract":"<div><div>Herein, two different rhodanine derivative molecules (<em>E</em>)-2-(5-(4-(((2,5-dichlorophenyl)sulfonyl)oxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid <strong>(3)</strong> and (<em>E</em>)-2-(5-(4-(((4-bromophenyl)sulfonyl)oxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid <strong>(4)</strong> have been synthesized for the first time. The characterization of these molecules was carried out using various spectroscopic techniques such as ¹H–, ¹³C– NMR, FT–IR and Q–TOF. Sensor properties of the newly synthesized rhodanine derivative molecules were investigated in detail using potentiometric methods. For this purpose, different polymer membrane sensors in which these two molecules were used as ionophores in the design were prepared. Potentiometric performance properties were compared among these prepared sensors, using mixtures in which the most ideal potentiometric behavior of both molecules was observed. Among the two sensors, Sensor IX exhibited much higher selectivity against Cu²⁺ ions compared to Sensor II. The sensors had linear and Nernstian responses in the concentration range of 1.0 × 10⁻¹–1.0 × 10⁻⁵ mol L⁻¹. The detection limits of the sensors prepared with ionophore <strong>3</strong> and <strong>4</strong> were found to be 9.77 × 10⁻⁶ mol L⁻¹ and 9.36 × 10⁻⁶ mol L⁻¹, respectively, indicating that both sensors have comparable limit of detection values. While the sensor prepared with <strong>4</strong> had a very fast response time of 5 s, the sensor prepared with <strong>3</strong> exhibited a response time of approximately 10 s. The sensors prepared with both molecules worked in a wide pH range (4.0–10.0) without being affected by pH changes. Both sensors were subsequently applied to various real samples, and very high recoveries were obtained. Based on these data, it can be stated that the newly synthesized rhodanine derivatives can be used as ionophores. However, there are particular differences in terms of selectivity and other potentiometric performance criteria between the two synthesized molecules. Lastly, the anti-microbial effects of these new molecules on six different bacteria were studied, and it was determined that the synthesized molecules inhibit the growth of some bacterial species to a certain extent.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101591"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140687","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":"Kinetics & mechanism of oxidation of indigo carmine dye with potassium peroxydisulphate in micellar and sub –micellar medium","authors":"Kalyana Chakravarthy Mutnuru ,&nbsp;Ram Kumar Gummaluri ,&nbsp;Ramakrishna Karipeddi","doi":"10.1016/j.jics.2024.101554","DOIUrl":"10.1016/j.jics.2024.101554","url":null,"abstract":"<div><div>Oxidation of Indigo carmine with potassium peroxydisulphate is investigated in presence of micelles under pseudo first order conditions in acidic medium. The reactants form suspensions with CTAB micelles under the established experimental conditions. There is no appreciable change in the rate with varying [Triton-X-100]. The reaction has shown first order kinetics with varying [Indigo carmine], [S₂O₈²⁻] and is independent of varying [H⁺] in presence of anionic SDS and neutral Triton-X-100 micelles. The ionic strength is maintained using sodium perchlorate, and there is no ionic strength effect on the rate of the reaction.The rate of the reaction is accelerated with varying [SDS], reaching a maximum under a sub-micellar concentration of 7.0 × 10⁻⁴ moldm⁻³. At higher SDS concentrations, the reaction rate is inhibited. The rate [surfactant] profile is showing a maximum, so the reaction is a typical bimolecular catalyzed reaction. The binding constant is determined by applying Piszkiewicz and Berezin kinetic models.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101554"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140663","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":"Design and optimization of Ag decorated MgO nanosphere catalyst for efficient removal of textile industry pollutants and their biological applications","authors":"A Haseena Begum ,&nbsp;S. Savitha ,&nbsp;T.M Naren Vidaarth ,&nbsp;K.S.G. Jagan ,&nbsp;S. Surendhiran ,&nbsp;A. Karthik ,&nbsp;B. Kalpana","doi":"10.1016/j.jics.2025.101573","DOIUrl":"10.1016/j.jics.2025.101573","url":null,"abstract":"<div><div>This study presents the biogenic synthesis of phytochemical-enriched magnesium oxide nanoparticles (MgO NPs) using <em>Eucalyptus globulus</em> leaf extract and silver-doped nanocomposites (MgO–Ag NCs) at varying silver concentrations (0.1, 0.3, and 0.5 mM). Comprehensive physicochemical analyses were conducted to evaluate the influence of silver incorporation on the properties of MgO NPs. The doping of Ag in MgO increased crystalline size from 38 nm to 44 nm without introducing an Ag-specific structural phase, suggesting the successful incorporation of Ag into the MgO lattice. Optical studies revealed a notable reduction in the bandgap, decreasing from 4.7 eV for pure MgO to 3.61 eV at higher Ag concentrations suitable for photocatalytic activity. The photocatalytic analysis demonstrated exceptional dye degradation efficiencies, with MgO–Ag NCs achieving 100 % Malachite Green (MG) and 97.9 % degradation of Congo Red (CR) degradation. Scavenging activity analyses provided insights into the degradation pathways facilitated by the nanocomposites. Additionally, the antibacterial efficacy of MgO–Ag NCs showed significant improvement, with zones of inhibition increasing from 13 mm for pure MgO to 21 mm for Ag-doped MgO against <em>Staphylococcus aureus</em> and from 9 mm to 18 mm against <em>Escherichia coli.</em> These findings highlight that Ag doping profoundly enhances the physicochemical properties, photocatalytic performance, and antibacterial activity of MgO NPs, underscoring their potential for applications in environmental remediation and biomedical fields.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101573"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140666","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":"Microwave-assisted synthesis of primary aryl/heteroarylamines via one-pot reductive amination: A convenient and efficient synthetic route","authors":"Hasan Saral ,&nbsp;Özgür Özdamar ,&nbsp;Yunus Bekdemir","doi":"10.1016/j.jics.2024.101539","DOIUrl":"10.1016/j.jics.2024.101539","url":null,"abstract":"<div><div>Microwave-assisted copper-catalyzed amination process can be established for the conversion of aryl/heteroaryl bromides. The key features of this study include diverse aryl/heteroarylamine synthesis, the catalyst amount, shorter reaction time, high yields, a one-pot procedure, simple and commercially available starting materials, and moderate to good reaction yields. We have shown that using Cu(OAc)₂ as a catalyst combined with ethylenediamine as an additive in the ethanol as solvent, greatly improved the reaction time and yield of this system compared to the previously reported conditions. The current catalytic system contributes a valuable route for preparing aminoquinoline and aminoisoquinoline as key precursors to obtain fine chemicals.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101539"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140729","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":"Exploring non-covalent interactions in oxazolidine derivatives: Synthesis, X-ray diffraction, and quantum chemical studies","authors":"Youness El Bakri ,&nbsp;Kandasamy Saravanan ,&nbsp;Shaaban K. Mohamed ,&nbsp;Amr H. Moustafa ,&nbsp;Hatem A. Abuelizz ,&nbsp;Rashad Al-Salahi ,&nbsp;Eman A. Ahmed","doi":"10.1016/j.jics.2025.101596","DOIUrl":"10.1016/j.jics.2025.101596","url":null,"abstract":"<div><div>In this work, two oxazolidine derivatives <strong>4</strong> and <strong>5</strong> were conveniently prepared in high yields via the reaction of pseudoephedrine <strong>1</strong> with the corresponding bis(methythio)yledinenitriles <strong>2</strong> and/or <strong>3</strong>, respectively using both ultrasonic and microwave irradiation techniques. The yields of oxazolidines <strong>4</strong> and <strong>5</strong> were summarized and compared with their preparation by traditional methods. X-ray diffraction analysis uncovers that a multitude of non-covalent interactions collaborate to establish the arrangement of crystals and the behavior of supramolecular assemblies in the solid state. The quantification of all intermolecular interactions is achieved through Hirshfeld surface analysis and fingerprint plots, while energy frameworks are constructed to examine the predominant energy interactions that contribute to the strength of molecular packing. In the experimental investigation, we conducted a thorough theoretical analysis employing quantum chemical techniques to ascertain the characteristics of the derivatives. The comparison of geometrical parameters revealed a strong agreement with the experimental findings. QTAIM has been used to analyze and characterize both covalent and non-covalent bonds. The closed-shell interactions at the bond critical point confirm the presence of non-covalent interactions.</div></div>","PeriodicalId":17276,"journal":{"name":"Journal of the Indian Chemical Society","volume":"102 2","pages":"Article 101596"},"PeriodicalIF":3.2,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143140791","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}