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Novel divalent chelates of Co (II), Cu (II), Zn (II) and Ni (II) were prepared and described of the form [M (NTM)(CH3COO)2] where NTM = [1‐(4‐nitrophenyl)‐1H‐1,2,3‐triazol‐4‐yl)methanol ligand. Elemental analyses, infrared red, 1H and 13CNMR, electronic, magnetic susceptibility, conductivity measurements and X‐ray diffraction studies were used to assess our divalent metal complexes. Moreover, the stability and stoichiometry of the novel metal chelates were examined through the job's method in solutions. Correlation of all spectroscopic techniques states that NTM acts as a bi‐dentate NO ligand to afford octahedral complex geometry for all the investigated metal chelates. Thermodynamic and kinetics factors for various thermal degradation phases were calculated. Moreover, B3LYP/LANL2DZ/6‐311 g(d,p) theoretical study has been applied for estimating the MEP and quantum chemical reactivity descriptors of studied molecules. Moreover, the UV–Vis absorption spectra for the investigated molecules are predicted via the time‐dependent DFT (TD‐DFT) calculations. In addition, MOE‐ docking was tested on two different proteins, the receptor of (3HB5) breast cancer mutant oxidoreductase as well as the receptor of Glucosamine‐6‐phosphate synthase in complex with glucosamine‐6‐ phosphate of (2VF5) E.coli and COVID‐19 protease. The results recommended that the (NTMCo), (NTMNi), (NTMCu) and (NTMZn) complexes showed the highest inhibitory activity compared to the other NTM ligands as antimicrobial and breast cancer candidates. Furthermore, in‐vitro anti‐bacterial, anti‐fungal, cytotoxic and anti‐oxidant performances for the selected ligand as well as its chelates were studied. All metal chelates presented superiority, proceeding free organic ligand ineffective management, definitely NTMCu complex. [ABSTRACT FROM AUTHOR]

The composite of ceria has been widely studied as an electrode material for supercapacitors applications due to its high energy density. Herein, we synthesize CeO2/NiO nanocomposite via a hydrothermal route and explore its different aspects using various characterization techniques. The crystal structure is investigated using X-ray diffraction, Fourier transform infrared, and Raman spectroscopy. The formation of nanoflakes which combine to form flower-like morphology is observed from scanning electron microscope images. Selected area scans confirm the presence of all elements in accordance with their stoichiometric amount and thus authenticate the elemental purity. Polycrystalline nature with crystallite size 8–10 nm having truncated octahedron shape is confirmed from tunneling electron microscope images. Using X-ray photoelectron spectroscopy the different oxidation states of Ce and Ni are observed which play the role of active sites in the electrochemical performance of this nanocomposite material. Cyclic Voltammetry(CV) measurements at different scan rates and Galvanic Charge Discharge (GCD) measurements at different current densities are performed to probe the electrochemical response which revealed the potential of CeO2/NiO nanocomposite as an electrode material for energy storage devices. [ABSTRACT FROM AUTHOR]

Variable-temperature X-ray structural study of the complex [(Ph3P)2N]2[Pt2Ag4Cl2(C2Ph)8] prepared by the reaction of cis-[PtCl2(AsPh3)2] and [(Ph3P)2N][Ag(C2Ph)2] in 1:2M ratio, revealed isolated (non-polymerised) [Pt2Ag4Cl2(C≡CPh)8]2− anions with a pseudo-octahedral arrangement of metal atoms. The Pt atoms (in mutually trans vertices) are each σ-bonded to four alkynyl ligands in a square planar arrangement; these moieties are bridged by four Ag atoms; each silver atom being η2-bonded to two alkynyl groups. Chloride ligands are asymmetrically bridging two opposite Ag–Ag edges. Silver atoms show strong and unusual temperature-dependent disorder. [ABSTRACT FROM AUTHOR]