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• Cu(II) and Fe(II) complexes of isatin hydrazone derivative are synthesized and characterized. • Cu-catalyst exhibits little more catalytic potential over that of Fe-catalyst in benzyl alcohol oxidation. • The antimicrobial and anticancer potential of both complexes are examined against some bacterial, fungal and human cancer cells. • Their binding ability to ctDNA is examined via UV–Visible spectroscopy and hydrodynamic measurements. Divalent para-magnetic copper(II) and iron(II) chelates of Schiff base isatin hydrazone derivative are synthesized and characterized, as CuLONOCl and Fe(LONO) 2 , respectively. With different stoichiometric ratios (molar ratios) of 1: 1 and 1: 2 of Cu2+ or Fe2+ ion to the ligand (HLONO), both chelates are prepared with distorted square planar and octahedral structures, respectively. The catalytic action of both CuLONOCl and Fe(LONO) 2 is examined in the homogeneous oxidation benzyl alcohol using H 2 O 2 to benzaldehyde (the selective product). All studied compounds involved in the antimicrobial and anticancer studies and also against the ct DNA. Catalytically, their optimization is progressed within the influence of temperature, time and solvent. CuLONOCl manifests an optimized catalytic atmosphere for the yield percentage of benzaldehyde (92%) at 70°C after 4 h, whereas, Fe(LONO) 2 displays less catalytic action with less yield (88%) after 3 h at 90°C. The variation in their structure and central metal ion assign to understand the difference in their catalytic potentials. The proposed mechanism for the oxygenation process based on electron-oxygen transfer steps. In the biological studies, CuLONOCl displays more action against some common microbes (bacteria and fungi) and cancers growth compared to that of Fe(LONO) 2. The role of M2+ ion in its complex and its geometries illustrate their utility in such biological studies within Tweedy's chelation theory. Their interaction with ct DNA (calf thymus DNA) is aimed to represent the impact of Cu2+ and Fe2+ ions in the complexing agents with the influence of their structures through the changes and shifts of spectroscopic the viscosity investigations. Their interaction with ct DNA is illustrated spectroscopically according to the derived values of the binding constants, K b , and the negative Gibbs' free energy, Δ G b ≠. [Display omitted] [ABSTRACT FROM AUTHOR]

• VO2+, ZrO2+ and Zn2+-complexes were synthesized from the asymmetrical tetradentate imine ligand. • The catalytic differentiation between VO2+-complex and the new ZrO2+- and Zn2+-complexes was studied in the 1,2-cyclohexene (ep)oxidation. • Various parameters were investigated (temperature, time, solvent, oxidant type and catalyst amount), with theoretical evaluation of the mechanism. • Some cyclic and acyclic alkenes were studied in (ep)oxidation reactions. • The catalytic reactivity VO-, ZrO- and Zn-complexes was tested in the 2-aminothiophene oxidation by H 2 O 2 with detection of the most chemoselectives. Three mononuclear di-valent VO2+, ZrO2+ and Zn2+-complexes (VOL, ZrOL and ZnL, respectively) were prepared from asymmetrical di-basic tetradentate di-imine ligand (6,6′-((1 E ,1′ E)-((4-chloro-1,2-phenylene)bis(azaneylylidene))bis(methaneylylidene))bis(2-ethoxy phenol, H 2 L). To confirm the M-complexes compositions, various spectral tools (FT-IR, EI/M and UV-Vis. spectra), molar conductance, thermal, elemental analysis and pXRD analyses were accomplished. Distorted octahedral geometry was confirmed for ZnL and square pyramidal geometry was elucidated for VOL and ZrOL. Their catalytic efficiency was investigated in the epoxidation of 1,2-cyclohexene by H 2 O 2. They exhibited moderate to excellent catalytic control. The effect of temperature, time, solvent, type of oxidant and amount of catalysts were studied in order to determine the optimal catalytic atmosphere. The catalysts screening for epoxidation of alternative cyclic and acyclic olefins at optimization was reported. The variation of central metal ions from high to low valents (Zr4+, V4+and Zn2+ ions) and their capability for oxidation control their catalytic potential are the most effective aspects in the epoxidation reaction. The catalytic oxidation of 2-aminothiophene within VOL, ZrOL and ZnL, as a first trial, by H 2 O 2 was examined. Also, QSAR parameters and DFT studies were performed to predict the catalytic properties of VOL, ZrOL and ZnL, to assert on chosen application. Effective surface properties of VO(II) complex were promoted for progressing its catalytic activity, which already happened. The catalytic mechanism was supported by the sequenced stability difference between proposed intermediates based on the difference in their recorded formation energy from the DFT study. [Display omitted] [ABSTRACT FROM AUTHOR]

• Isolation and characterization of eight bioactive compounds from brown alga sargassum platycarpum for the first time. • Evaluation of the in vitro anticancer activity against HepG-2 cell line. • Computations of MEP, EHOMO, ELUMO and global properties by DFT methods. • Molecular docking study. • Bioactivity Score, drug-likeness and ADMET studies. Image, graphical abstract Recently, macroalgae or seaweeds serve as a treasure of potential drugs for cancer therapy. The present study investigated the cytotoxic activity of eight compounds isolated from the brown alga Sargassum platycarpum for the first time. These isolates were identified as hexadecanoic acid (1), oleic acid (2), saringosterol (3 and 4 , 1:1 mixture of C-24epimers), β -sitosterol (5), glycoglycerolipid (6), loliolide (7) and Kjellmanianone (8) by spectroscopic techniques. Two epimers of saringosterol, (24- R)-saringosterol (3) and (24- S)-saringosterol (4), were subsequently separated by HPLC. (24- S)-saringosterol (4) and (24- R)-saringosterol (3) exhibited potent cytotoxicity against HepG-2 cells with IC 50 of 0.10±0.00 and 0.11±0.00 µM, respectively with compared to standard 5-Fluorouracil (IC 50 of 0.63±0.28 µM) and other isolates. MEP, E HOMO , E LUMO and global properties of all isolated compounds are computed by DFT methods. Molecular docking study showed that most of the isolated compounds especially compounds 3 and 4 interact strongly with 4PYP with the highest binding energies maintained that the high cytotoxic activity of these compounds against HepG-2 cells in the experimental part. Bioactivity Score, Drug-Likeness and ADMET studies supported the potential biological activities of most isolated compounds especially compounds 3 and 4 and also created attention for developing them to act as good candidates. [ABSTRACT FROM AUTHOR]