Gujarat College

The present study reports the solvothermal synthesis of mixed-phase NiCoS2 (NCO) nanocomposite, exhibiting supercapattery-grade hybrid energy storage performance and pronounced dielectric polarization. PXRD and Rietveld-refinement was confirmed coexistence of multiphase architecture, namely cubic-Co3S4, hexagonal-CoS, cubic-Ni3S4, and hexagonal-NiS. HRTEM has revealed uniformly distributed spherical morphology, where average particle size and lattice-spacing was observed to be 17.63 nm and 0.33 nm respectively. Surface analysis revealed 42 m2/g surface area from BET analysis with pore volume and average pore diameter was exhibited to be 0.0631 cm3/g and 3.066 nm respectively from BJH model. XPS has confirmed the oxidation-rich nature, like Ni3+/Ni2+, Co3+/Co2+, and S2-, while EDX provided elemental composition and sulphur-deficient nature. quasi-rectangular shaped CV profiles showcased redox-rich nature along and specific capacitance estimated to be 4349-950 Fg-1 at scan rates of 20-140 mVs-1. Power-law and Dunn's model were conformed supercapattery-grade charge-storage mechanism dominated by diffusion-controlled Faradaic processes. Consistently, GCD measurements revealed a specific capacitance of 4295-995 Fg-1 at current densities of 2-10 Fg-1, with corresponding energy and power densities of 2.14-0.50 kWh/kg and 13.33-66.67 kW/kg, respectively. While cycling stability was measured nearly 100% by capacitance-retention and coulombic-efficiency over 3000 cycles. Temperature-dependent dielectric, conductivity, and complex impedance/modulus studies conducted over 20 Hz-2 MHz at 308-423 K. Complex Impedance was exhibited the grain and grains boundaries contribution, whereas dielectric analysis using the HN model indicated a more than 106 permittivity due to interfacial and space-charge polarization. Jonscher's power law was confirmed a CBH mechanism and complex modulus fitted with KWW model has confirmed non-Debye type relaxation. These results highlighted NCO as promising candidates for next-generation supercapattery applications.

This study presents detailed energy storage and biomedical application of hydrothermally synthesized MnSSe nanocomposites (NCs). Powder-XRD method was identified the coexistence of cubic MnS, MnSe2, and SeS phases with average crystallite size and dislocation density were estimated to be 16.72 nm and 1.11 & times; 10(16) m(-2) from Scherer formula and 15.78 and 0.16 & times; 10(16) from Williamson-Hall method, along with compressive microstrain of -1.1 & times; 10(-3) was observed. Furthermore, longitudinal optical phonon vibrations were analyzed by the Raman Spectroscopy. XPS and EDX analyses have been verified the materials purity as well as Mn2+, S2-, and Se2- oxidation states and near-stoichiometric composition. Additionally, FESEM and HRTEM micrographs were revealed prismatic and pyramidal morphologies, while SAED confirmed the polycrystallinity of MnSSe NCs. UV-Vis spectroscopy exhibited broad absorption, while direct bandgap was estimated to be 1.95 eV. Temperature dependent dielectric, conductivity, complex impedance/modulus analysis were investigated at temperature and frequency range of 148-423 K and 20 Hz - 1 MHz. The dielectric plots fitted with the Havriliak-Negami model exhibited a large dielectric strength (>10(3)), attributed to interfacial polarization arising from Mn-S/Se orbital hybridization. Coexistence of 3D Mott variable-range hopping and correlated barrier hopping mechanisms were confirmed from Jonscher's power-law followed conductivity. Moreover, complex impedance spectroscopy showed grain and grain-boundary contributions by modeling R-CPE equivalent circuits. Complex modulus spectroscopy was analyzed by R-Bergman and KWW model that confirmed thermally activated relaxation governed by localized charge motion and non-Debye type relaxation behavior. Antimicrobial analysis, including MIC measurements highlighted selective inhibition of Bacillus subtilis, attributed to gradual ion release and interfacial electron transfer disrupt bacterial metabolism.

Nine novel ditriazole-based derivatives (4a-i) were synthesized via copper-catalyzed azide-alkyne cycloaddition (CuAAC) under optimized conditions in 68-92 % yields and fully characterized by FT-IR, 1H NMR, 13C NMR, and ESI-MS. Biological evaluation against four bacterial (Escherichia coli, P. aeruginosa, S. aureus, S. pyogenes) and three fungal strains (C. albicans, A. niger, A. clavatus) alongside DPPH antioxidant assay identified 4e as the most potent antimicrobial agent (MIC = 50 & micro;g/mL) and 4g as the superior antioxidant (IC50 = 41.32 +/- 0.8 & micro;g/mL), surpassing ascorbic acid. Molecular docking against three targets (4IQK, 7P2M, 5TZ1) revealed 4g as the strongest binder to 4IQK (-10.7 kcal/mol) and 5TZ1 (-11.81 kcal/mol), while 4e dominated at the bacterial target 7P2M (-6.94 kcal/mol), each outperforming its respective standard. Comparative DFT analysis (B3LYP/ 6-31G(d,p)) demonstrated distinct electronic profiles for both leads, corroborated by MEP analysis, rationalizing their divergent biological selectivities. In silico ADMET predictions confirmed favorable drug-likeness across the series. These findings establish ditriazole scaffolds as promising multifunctional agents against antimicrobial resistance and oxidative stress.

The rising incidence of multidrug-resistant (MDR) bacteria demands the creation of innovative antimicrobial agents characterized by enhanced stability and efficacy. In this study, a series of peptide-heterocycle conjugates was systematically designed and synthesized using solid-phase peptide synthesis (SPPS), featuring octapeptide-triazole conjugates modified with a triazole-based moiety. Non-proteinogenic amino acids, specifically 2-aminoisobutyric acid (Aib) and 2-naphthylalanine (2-Nal), were used to add structural diversity. SPPS is a relatively easy way to synthesize these compounds, which ensures accuracy in the sequence. The synthesized peptides were subjected to an antimicrobial activity assessment following a molecular docking study. In comparison to the standard drug, compound 7e exhibited promising antibacterial activity against E. coli, with the MIC value of 12 μg/mL, whereas compound 7a showed enhanced activity against P. aeruginosa with the MIC value of 12 μg/mL. Compound 7a exhibited better to moderate antifungal activity against C. albicans, with the MIC values of 25 μg/mL.

In this work, cobalt divanadate nanoparticles (Co2V2O7 NPs) were produced via a green method using Spinacia oleracea root extract. The crystallinity and phase formation of the NPs were affirmed by XRD, which showed a monoclinic phase, and the mean particle diameter was calculated to be 24.02 nm. Using a UV spectrometer, the optical properties of the produced NPs were analyzed, and the Tauc plot indicates a band gap of 1.9 eV. The photodecomposition of fast orange (FO) dye under UV light was successfully achieved using plant-mediated Co2V2O7 NPs, which achieved an impressive 90.5% photodegradation in 120 min. Cyclic voltammetry (CV) analysis using a carbon paste electrode was used to detect lithium in 0.1 N HCl. Co2V2O7 NPs are an excellent sensing electrode material for lithium due to their electrochemical performance. CV and Galvanostatic chargedischarge (GCD) techniques have also been used to demonstrate the energy storage potential of Co2V2O7 NPs. The specific capacitance was 562 F/g at the most efficient current density of 1 A/g, exceeding many previously reported green-synthesized cobalt vanadates (typically 148-426 F g- 1), with remarkable long-term cyclic stability and about 91.5% Coulombic performance after 2000 GCD cycles. These encouraging results demonstrate the intriguing capacity of multifunctional applications of Co2V2O7 NPs across various fields. Compared with previously reported green-synthesized cobalt vanadate nanomaterials, the present material delivers superior or comparable electrochemical and photocatalytic performance while employing a simple, sustainable, and environmentally benign synthesis strategy. To the best of our knowledge, this is the first report on the green synthesis of Co2V2O7 nanoparticles using Spinacia oleracea root extract and their simultaneous application in photocatalysis, lithium sensing, and supercapacitor energy storage, highlighting their multifunctional potential for environmental and energy-related applications.