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Nano‐sized β,β′‐dihydroxydithioether bivalent metal complexes of Cu (II) (C1), Co (II) (C2), and Zn (II) (C3) were produced and analyzed of the form [M(L)(H2O)n]·X(H2O) where M = Cu (II); n = 0; X = 0, M = Co (II); n = 2; X = 3, M = Zn (II); n = 2; X = 2, and H2L = [2,2′‐(ethane‐1,2‐diylbis (sulfanediyl))‐bis(1‐phenylethan‐1‐ol)]. Several characteristic methodologies were employed to evaluate our monometallic complexes. Quantum chemical computations were made using DFT (density functional theory), B3LYP functional and 6‐31++G(d,p)/SDD basis set in order to determine optimized structure parameters and frontier molecular orbital parameters. Based on DFT and experimental evidence, the complexes ensured that the square planar geometry has been proposed for complex C1, octahedral for complexes C2 and C3. The SEM, XRD, EDX, and AFM investigations of the bivalent metal complexes revealed that the presence of distinct and prominent diffraction peaks signify their crystalline indicates with nanoscale particle dimensions. The absorption measurements reveal the interaction of the nano‐sized complexes with CT‐DNA via intercalation, exhibiting an intrinsic binding constant (Kb) of 4.69 × 106–6.03 × 106 M−1. Nano‐sized metal (II) complexes show a higher viscous nature than H2SOSO. The antiproliferative activity of the ligand (H2SOSO) and complexes (C1 to C3) were evaluated in vitro against human liver cells (HepG2) and normal skin fibroblast cells (FG0). Our flow cytometry data indicate significant levels of apoptosis and cell cycle arresting in liver cancer cell lines. [ABSTRACT FROM AUTHOR]

Nano‐sized bivalent metal complexes, specifically [M(L)2] with L = 2‐((E)‐((4,5‐dimethyl‐2‐(((E)‐4‐methylbenzylidene)amino)phenyl)‐imino)methyl)benzenethiol] (C23H22N2S) and M = Cu (II) (C1), Co (II) (C2), Ni (II) (C3), and Zn (II) (C4), underwent synthesis and subsequent characterization. Elemental analyses, infrared, NMR, mass, electronic, magnetic susceptibility, conductivity assessments, and X‐ray diffraction studies were used to assess our bivalent metal complexes. DFT studies were used to study the tautomeric equilibrium of the tridentate thio‐Schiff base ligand (HL), via the DFT\B3LYP method in connection with a 6–311G* correlation consistent basis set. Two tautomers, which are thione and thiol forms, were studied to estimate the predominant one. The metal formed four coordinated with the tridentate N2S donor thio‐Schiff base to form octahedral geometry complexes. The SEM, TEM, XRD, AFM, and EDX of the studied complexes unveiled distinct and strong diffraction peaks, signifying their crystalline nature and providing evidence of their particle sizes being within the nano‐size. The crystal sizes calculated for all complexes were determined to be ranging from 27.73 to 76.39 nm. The interactions between metal complexes and calf thymus DNA, and their potential for mimicking insulin activity, were investigated in a controlled lab setting by measuring their ability to inhibit alpha‐amylase. The antimicrobial potential of thio‐Schiff base ligand (HL) plus complexes (C1–C4) were tested. The viscosity and UV–Vis absorption determinations were utilized to assess the calf thymus DNA (CT‐DNA) interaction with the nano‐sized metal (II) chelates. Our flow cytometry data indicate significant levels of apoptosis and cell cycle arresting in both liver and breast cancer cell lines. [ABSTRACT FROM AUTHOR]

A tridentate pyrazolone‐furan Schiff's base ligand, [(E)‐4‐(((5‐[2‐fluorophenyl]furan‐2‐yl)methylene)amino)‐1,5‐dimethyl‐2‐phenyl‐1,2‐dihydro‐3H‐pyrazol‐3‐one] (PFSB), was produced by condensation between compounds 5‐(2‐fluorophenyl)furan‐2‐carbaldehyde and 4‐amino‐1,5‐dimethyl‐2‐phenyl‐1,2‐dihydro‐3H‐pyrazol‐3‐one. Spectroscopic characterization evidence suggested the tridentate nature (ONO) of pyrazolone‐furan Schiff's base ligand (PFSB) and coordinated to the metal (II/III) moieties through nitrogen and oxygen donor sites giving tetra‐ and/or hexa‐coordinated geometry to complexes. The complexes have been supported by elemental analyses, molar conductance, magnetic moments, spectral analyses, EPR, ligand field parameters, XRD, and thermogravimetric measurements. Theoretical optimization employing the density functional theory (DFT) was accomplished on the molecular structures of the compounds in question, and subsequently, the quantum chemical descriptors were computed. Cr(III), Co(II), Ni(II), and Zn(II) complexes were allocated octahedral coordination, while the Cu(II) complex was allocated square‐planar coordination. The SEM, TEM, XRD, AFM, and EDX of the studied complexes unveiled distinct and strong diffraction peaks, signifying their crystalline nature, and providing evidence of their particle sizes being within the nano‐size. The crystal sizes calculated for all complexes were determined to be ranging from 27.73 to 76.39 nm. However, the Cr(III) complex exhibited a particle size exceeding 100 nm. The interactions between metal complexes and calf thymus DNA, and their potential for mimicking insulin activity, were investigated in a controlled lab setting by measuring their ability to inhibit alpha‐amylase. The anti‐microbial potential of the ligand (PFSB) and complexes (C1‐C5) were tested. The viscosity and UV–Vis absorption determinations were utilized to assess the calf thymus DNA (CT‐DNA) interaction with the nano‐sized metal (II/III) chelates. Our flow cytometry data indicate significant levels of apoptosis and cell cycle arresting in both liver and breast cancer cell lines. [ABSTRACT FROM AUTHOR]