Polymer nanocomposites films, based on sodium alginate (NaAlg) and polyvinyl alcohol (PVA) complexed with zinc oxide nanoparticles (ZnO NPs) and iron oxide nanorods (Fe 3 O 4 NRs) as nanofiller, were prepared by solution casting technique. Different techniques were used to describe the prepared films.XRD and FTIR were used to pinpoint the complexation of the nanofiller with the polymer mixture. The XRD investigation verified the existence of the crystalline peaks of ZnO/Fe 3 O 4 NPs in the polymeric matrices. The average particle size of nanocomposite was 23 nm. TEM image of the ZnO nanopowder confirming the spherical form of nanoparticles with average size 30 nm. The

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Four new complexes (Ni2+, Cu2+, Ag+, and Hg2+) were prepared from the ligand N-(4-chlorophenyl)-2-(phenylglycyl)hydrazine-1-carbothioamide (H2L). Analytical and spectroscopic techniques were used to clarify the structural composition of the new chelates. In addition, all chelates were tested against bacterial strains and the HepG2 cell line to determine their antiseptic and carcinogenic properties. The Ni(II) complex was preferable to the other chelates. Molecular optimization revealed that H2L had the highest reactivity, followed by Hg-chelate, Ag-chelate, Ni-chelate, and Cu-chelate. Moreover, molecular docking was investigated against two different proteins: the ribosyltransferase enzyme (code: 3GEY) and the EGFR tyrosine kinase receptor (code: 1m17).

The novel diazenyl pyridinone heterocyclic ligands and their Cu(II) complexes have been prepared and characterized utilizing miscellaneous analytical tools, thermogravimetric analysis (TGA), and nuclear magnetic resonance (NMR), Fourier transform infrared (FTIR), electron paramagnetic resonance (EPR), and ultraviolet-visible spectroscopies. The investigated ligands are coordinated in a bidentate fashion through the azo nitrogen atom and the hydroxyl oxygen atom to the Cu(II) center. The EPR spectra indicated that the obtained complexes were monomeric, and density functional theory (DFT) calculations confirmed that the Cu(II) atom adopted a six-coordinated octahedral geometry.The ligands and their complexes were investigated for their in vitro antimicrobial activity against some types of bacteria and fungi. The antioxidant and anticancer activities of the complexes were also assessed. The results show that these complexes exhibit higher antitumor efficiency and selectivity index against the models of human breast adenocarcinoma cells MCF-7 and human primary hepatocytes THLE-2 than the reference standard material doxorubicin. The results were supported by DFT calculations, molecular docking, and Hirshfeld surface analysis.