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Hashemi, M.S.,
Yousefi, A.,
Sabounchei, S.J.,
Sedghi, A.,
Moazzami, S.H.,
Gable, R.W. Publication Date: 2024
Monatshefte fur Chemie (00269247)155(10)pp. 967-976
The reaction between symmetric ylides RC6H4C(O)CH = PPh2(CH2)2PPh2 = CHC(O)C6H4R (Y) (R = OMe, F) and [PdCl2(COD)] (COD = 1,5-cyclooctadiene) led to the formation of palladacycle complexes, whose structures were investigated using CHN, NMR, and IR identification methods. Additionally, the precise structure of Y was confirmed through X-ray diffraction analysis. The structures of these complexes were also examined theoretically using Density Functional Theory at the BP86/def2-SVP level. The nature of the bond between the Y and PdCl2 moieties in the synthesized complexes was studied using Energy Decomposition Analysis, Natural Bond Orbital analysis, and their associated natural orbitals for chemical reactivity. The results obtained suggest the formation of palladacycles through the coordination of the ylide to the metal, mediated by ylidic carbon. Finally, the anticancer activity of these complexes as antiproliferative agents against breast carcinoma (MCF-7), Human cervix (HeLa), gastric carcinoma (AGS), and non-small lung carcinoma (A549) cell lines was investigated using the micro-culture (MTT) assay. Graphical abstract: (Figure presented.) © Springer-Verlag GmbH Austria, part of Springer Nature 2024.
Tafazzoli, A.,
Keypour, H.,
Moazzami, S.H.,
Ahmadvand, Z.,
Gable, R.W. Publication Date: 2023
Journal of Molecular Structure (00222860)1276
A new symmetrical macroacyclic Schiff base ligand (H2L) was prepared by the condensation reaction of 2-(4-(2-aminophenyl)piperazin-1-yl)benzeneamine and 2-hydroxy-5-nitro-benzaldehyde which was then used to synthesize the Co(II), Ni(II) and Cu(II) complexes. The new compounds were characterized by Mass spectrometry, IR, 1H NMR and 13C NMR spectroscopy and elemental analyses. The single crystal X-ray structural analysis of [CoL] showed that the Cobalt atom was in a slightly distorted trigonal prismatic environment coordinated by the four amine nitrogen atoms and two phenol oxygen atoms of the ligand; the nitro groups are not coordinating to the metal atom. The in vitro antioxidant attributes of the synthesized compounds were evaluated, using DPPH free radical scavenging with the lowest IC50 reported for [CuL]. The cytotoxicity of the compounds was also evaluated against A-549 lung adenocarcinoma cells, which showed the H2L and [CuL] were more effective than the other two compounds. NBO, EDA, and EDA-NOCV studies were used to look at the type of metal–ligand interactions in these complexes. © 2022
Publication Date: 2022
Journal of Molecular Structure (00222860)1251
Herein, we aim at preparing 15-membered-ring symmetrical pentaaza macrocyclic Schiff base complexes using a template approach, based on the condensation reaction of an amine containing piperazine moiety, 2,2-(piperazine1,4-diyl)dianiline, and 2,6-diacetylpyridine in 1:1 mol ratio while Cd(II), Mn(II) and Zn(II) metal ions are present. Moreover, FT-IR, mass spectrometry, magnetic susceptibility measurements, UV–Vis and, 1H and 13C NMR spectroscopy were used to characterize these Schiff base complexes. Besides, the structure of [C25H25N5CdBr][ClO4] was determined using a single crystal X-ray structural analysis. Being in a pentagonal planar coordination environment, the Cd atom is surrounded by a Br atom in the apical position and 5 nitrogen atoms in the pentagonal plane. We also aimed at screening the synthesized complexes to investigate their antioxidant activities applying the 1,1-diphenyl-2-picryl-hydrazyl (DPPH) free radical scavenging assay. also, their bactericidal activity was evaluated using a paper disk diffusion method against both Gram-negative and Gram-positive bacteria, revealing a strong antioxidant activity and moderate effectiveness against all the tested bacteria. Finally, it is worth mentioning that the complex cytotoxicity was evaluated against MCF-7 (breast) and A549 (lung) adenocarcinoma cells. Generally, as compared to [ZnLBr]ClO4 possessed a greater cytotoxic effect against the tested cells. © 2021 Elsevier B.V.
