Nanotechnology has recently appeared as an important study subject in modern material sciences. Greener synthesis of nanoparticles has gained the attention of many scientists because of its integral characteristics such as effectiveness, eco‐friendly, and low cost. In the present study by following the green synthesis approach, zinc oxide nanoparticles (ZnO NPs) were formed for the very first time by using Senecio chrysanthemoides leaf extract as a reducing agent. The UV‐Vis spectrophotometer was used to study the synthesized ZnO NPs, and the specific peak was found to be at 349 nm. The characteristic Fourier transform infrared (FTIR) peak was found to be at 449 cm^-1 which displays the peak of ZnO molecules. The surface morphology of the ZnO NPs was determined via scanning electron microscopy (SEM). The energy‐dispersive X‐ray spectroscopy (EDX) study showed that the synthesized ZnO NPs are present at the weight percentage of 66.38%. The X‐ray diffraction (XRD) spectrum confirmed the hexagonal phase wurtzite structure, with the average particle size of 31 nm, and demonstrated the crystalline structure of ZnO NPs. Additionally, to all these experiments, we compared the anti‐inflammatory properties of biogenic ZnO NPs to a standard drug. Biosynthesized ZnO NPs have revealed an effective anti‐inflammatory activity at a higher concentration (100 mL^-1) and showed 73% inhibition in comparison with diclofenac sodium drug. Zinc oxide was shown to be compatible with diclofenac sodium, according to the results. The ZnO NPs produced using the greener synthesis process have the potential to be used in a broad range of fields and also used as a good anti‐inflammatory agent.

Coded within Wien2K, we carry out DFT-based calculations for investigations of the structural, elastic, optoelectronic, and thermoelectric properties of BaXF₃ (X = Co, Ir) fluoro-perovskites. The Birch-Murnaghan fit to the energy-vs-volume data and formation energy shows that these fluoro-perovskites are structurally stable. The phonon calculation confirms the thermodynamic stability, while the relation between elastic constants such as C ₁₁ - C ₁₂ > 0, C ₁₁ > 0, C ₁₁ + 2C ₁₂ > 0, and B > 0 validates the mechanical stability of the compounds. BaIrF₃ exhibits a strong ability to endure compressive and shear stresses. BaCoF₃ shows a weaker capacity of withstanding changes in volume, attributed to a lower bulk modulus. Demonstrating a higher G-modulus of rigidity than the BaIrF₃, BaCoF₃ demonstrates stronger resistance to change the shape and both compounds are found to be anisotropic and brittle. The determined band structure profiles reveal that both BaCoF₃ and BaIrF₃ demonstrate a metallic nature. In addition, the metallic nature of BaCoF₃ and BaIrF₃ is reinforced by the density-of-states (DOS) study, where Co and F atoms contribute significantly to the total DOS in the valence band in the case of BaCoF₃, while that of BaIrF₃ is predominated by the Ba and F atoms. The computed values of ε₁(0) for BaCoF₃ and BaIrF₃ are approximately 30 and 19, respectively, which are in line with Penn's model. The researched materials are confirmed to be strong contenders for optoelectronics by the lack of absorption in the visible range. For their potential use in thermoelectric device applications, thermoelectric parameters such as temperature-dependent Seebeck coefficient, specific heat capacity, thermal conductivity, power factor, and figure of merit are also investigated, which show that these materials are thermally stable and promising for applications in thermoelectric devices.

Novel thiophene-derived Schiff base ligand DE, where DE is (E)-N1,N1-diethyl-N2-(thiophen-2-ylmethylene)­ethane-1,2-diamine, and the corresponding M­(II) complexes, [M­(DE)­X2] (M = Cu or Zn, X = Cl; M = Cd, X = Br), were prepared and structurally characterized. X-ray diffraction studies revealed that the geometry around the center of the M­(II) complexes, [Zn­(DE)­Cl2] and [Cd­(DE)­Br2], could be best described as a distorted tetrahedral. In vitro antimicrobial screening of DE and its corresponding M­(II) complexes, [M­(DE)­X2], was performed. The complexes were more potent and showed higher activities against Escherichia coli, Staphylococcus aureus, and Pseudomonas aeruginosa, fungi Candida albicans, and protozoa Leishmania major compared to the ligand. Among the studied complexes, [Cd­(DE)­Br2] exhibited the most promising antimicrobial activity against all the tested microbes compared to its analogs. These results were further supported by molecular docking studies. We believe that these complexes may significantly contribute to the efficient designing of metal-derived agents to treat microbial infections.