CMS College Kottayam

A distinct optical-electrochemical correlation is uncovered in acid-free synthesized polyaniline/zinc oxide (PANI/ZnO) nanocomposites, revealing how controlled ZnO incorporation governs charge-storage dynamics and interfacial behavior. The acid-free oxidative polymerization route enables sustainable, reproducible synthesis with uniform ZnO dispersion and robust PANI-ZnO coupling. Structural characterizations including XRD, FTIR, TEM, and XPS confirm the successful incorporation of ZnO within the PANI matrix and strong interfacial interaction. Systematic compositional tuning (2–10 wt

In this study, the structural, vibrational, electronic, and pharmaceutical properties of 4-methoxy-N-(piperidine-1carbonothioyl) benzamide (MPiCB) were thoroughly explored utilizing experimental and theoretical methods. DFT studies were performed using the B3LYP/6-311++ G (d, p) level of theory, and the results are in good accord with the experimental data. FT-IR, FT-Raman, and UV-vis spectroscopy revealed the characteristic vibrational and electronic transitions, indicating molecule integrity and the presence of strong intra- and intermolecular hydrogen bonds. NBO (natural bond orbital) analysis revealed significant intramolecular hyperconjugative interactions, which contribute to molecular stability, whereas Mulliken charge distribution highlighted reactive regions critical for bioactivity. The electron density-based local reactivity descriptor such as Fukui function analysis were carried out to understand the chemical selectivity or reactivity site. The HOMOLUMO energy gap exhibited considerable intramolecular charge transfer, which coincided with UV-vis absorption peaks. Hirshfeld surface analysis identified H & sdot;& sdot;& sdot;H contacts as the primary intermolecular interactions, stabilizing crystal packing. The drug-likeness evaluation indicated favourable pharmacokinetic characteristics. Topological studies like ELF and LOL analysis show the localized and delocalized electrons in the headline molecule. The structural significance of the molecule was clearly investigated utilizing NMR spectral analysis. Molecular docking experiments against the COX-2 protein revealed that MPiCB forms stable hydrogen bonds, indicating its potential as an anti-inflammatory drug.

This study draws on social presence theory, the extended technology acceptance model and the stimulus-organism-response model to examine the interplay among significant factors affecting the consumers' behavioural intentions to adopt artificial intelligence (AI)-assisted banking chatbots. Furthermore, it investigates the moderating role of fear of missing out between the dimensions of social presence theory and consumers' behavioural intention. A structured questionnaire was floated among the consumers of selected Indian banks using convenience-cum-referral sampling approach. The 365 valid responses were analysed using covariance-based structural equation modelling and artificial neural network analysis. The extended technology acceptance model components partially mediate the relationship between social presence theory variables and behavioural intentions. Among the three social presence theory dimensions, social presence of interaction exerts more impact on extended technology acceptance model components. The results of the artificial neural network reveal that perceived enjoyment is the most critical predictor of consumers' intention to adopt AI-assisted banking chatbots.

Light weight and flexible electronic components are extensively being designed and developed due to the miniaturization of electronic devices. Such materials with light weight and low density are highly preferred for EMI shielding applications also. Heavy materials which lack flexibility will not be chosen for practical EMI shielding applications due to their structural limitations, even though they possess exceptional shielding efficiency. Beyond these functional aspects, ensuring the sustainability and environmental compatibility of such material is essential for their broader technological adoption. Low density aerogels which show adequate shielding efficiency are emerging as promising materials for EMI shielding. In addition to low density and strong shielding ability, the sustainability and biodegradability of the material is also vital for assessing its applicability in sophisticated technological applications. Polyvinyl alcohol is a prime member among materials used to fabricate biodegradable materials since it can be availed for the easy fabrication of films, aerogels and hydrogels. Biodegradable lightweight aerogels were fabricated with polyvinyl alcohol/polypyrrole nanotube-GnP (PVA/PPy nT-GnP) composite. The sustainability of the composite arises from the biodegradable PVA matrix, the metal—free and environmentally benign conductive PPy nanotubes and the carbon-based recyclable GnP. All these together ensure the formation of green EMI shielding material without significantly compromising the environmental footprint of the composite. The fabricated aerogels possessed a maximum electrical conductivity of 0.721 S/cm and achieved an outstanding shielding efficiency of nearly 50 dB and specific shielding efficiency (SSE) of 499 dB cm g−1. More promisingly the fabricated sustainable aerogels exhibited more than 90

N-(3-methoxy-4-methylphenyl) benzenesulfonamide (MMBS) was investigated as a multi-targeted candidate for neurodegenerative disorders using density functional theory (DFT) in conjunction with spectroscopic and biological validation. Geometry optimization and vibrational analysis were carried out at the B3LYP/6-311++G (d, p) level, showing good agreement with FT-IR and FT-Raman spectra. Electronic absorption properties were explored using TD-DFT at the LC-wPBE/6-311++G (d,p) level and validated against UV-visible measurements. NBO analysis revealed the role of tc-*tc* interactions and hyperconjugation in stabilizing the molecular framework, while RDG/NCI analysis highlighted hydrogen bonding and noncovalent interactions. NMR calculations supported the structural assignments. Molecular docking with GSK -3(3 and TAAR1, along with ADME predictions, indicated favourable binding and pharmacokinetic properties. Furthermore, DPPH and MTT assays demonstrated antioxidant and cytotoxic activity. Overall, the results suggest that MMBS is a promising candidate for further investigation in neurodegenerative disorders.