Coordination chemistry of pyrazolone based Schiff bases relevant to uranyl sequestering agents: Synthesis, characterization and 3D molecular modeling of some octa-coordinate mono- and binuclear-dioxouranium(VI) complexes

Maurya, R. C.; Shukla, B.; Chourasia, J.; Roy, Souvik; Bohre, P.; Sahu, Satya Narayan; Martin, M.H.

doi:10.1016/j.arabjc.2011.01.035

Cited by 11 publications

(1 citation statement)

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“…[ 37 ] These results exhibited that the UO 2 moiety is virtually linear. [ 38 ] New band observed in the complex at 499 cm −1 which related to ν(U—N), while the band appeared at 454 cm −1 was corresponded to ν(U—S). [ 18,34 ] The spectrum also exhibited band at 1,385 cm −1 corresponded to an uncoordinated nitrate group.…”

Section: Resultsmentioning

confidence: 99%

Theoretical and experimental investigations of new bis (amino triazole) schiff base ligand: Preparation of its UO₂(II), Er (III), and La (III) complexes, studying of their antibacterial, anticancer, and molecular docking

Deghadi

Abbas

Mohamed

2021

Applied Organom Chemis

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UO 2 (II), Er (III), and La (III) complexes were prepared from new bis (amino triazole) Schiff base ligand. The ligand was synthesized by condensation of 1,3-bis(4-amino-5-phenyl-1,2,4-triazol-3-ylsulfanyl)propane with benzaldehyde. The structure of the prepared compounds was confirmed by some spectroscopic tools such as 1 H-NMR, UV-Vis, and IR, as well as molar conductance, mass spectrometry, elemental analysis, thermogravimetric analysis (TG), differential thermogravimetric (DTG), and differential thermal analysis (DTA) studies. The data revealed coordination of the complexes with tetradentate Schiff base. All complexes were octahedral. Computational studies for the prepared ligand by using DFT/B3LYP method were reported. The theoretical results described its bond lengths, angles, and dipole moment, and other parameters were calculated. The theoretical studies were supported the experimental data of the ligand and confirmed its successful preparation. Also, their antibacterial activities against four types of bacteria species (Pseudomonas aeruginosa, Escherichia coli, Bacillus subtilis, and Staphylococcus aureus) were investigated. The prepared complexes were biologically active compounds. The synthesized compounds were estimated for their anticancer activities against two cell lines (MCF-7 and HepG2). The lowest IC 50 values were 17.6 and 23 μM for uranyl complex against MCF-7 and ligand against HepG2 cell lines, respectively, which make them very important materials as anticancer drugs in the future researches. Finally, molecular docking studies were checked up for all prepared compounds with different protein receptors (3HB5 and 2GYT) to confirm their anticancer activities data.

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