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1.
Spectrochim Acta A Mol Biomol Spectrosc ; 135: 1019-31, 2015 Jan 25.
Article in English | MEDLINE | ID: mdl-25171052

ABSTRACT

The reaction of K2[PdCl4] and PdCl2 with 5-methyl-5-(4-pyridyl)-2,4-imidazolidenedione (L) proceeded with the formation of two different Pd complexes, PdL2Cl2 (1) and PdL2Cl4 (2c), corresponded to a substitution reaction and a substitution reaction along with unanticipated oxidation, respectively. The nature of the oxidizing agent is unknown. These compounds have been studied by elemental analysis, IR, (1)H and (13)CNMR, molar conductivity, and cyclic voltammetry. In addition, structural optimization by DFT calculations and simulation of NMR spectra have been performed and compared with the experimental data. NBO analysis, HOMO and LUMO, have been used to elucidate the information regarding charge transfer within the molecules. Theoretical studies confirmed that in 1 and 2c the trans structures are about 41 and 33 kJ mol(-1) more stable than cis ones. Antibacterial activity and in vitro cytotoxicity of these compounds, as respectively assessed in six bacterial strains and two human tumor cell lines, have been investigated. Results showed the title complexes have the capacity of inhibiting the metabolic growth of bacteria and tumor cells to different extents.


Subject(s)
Chemical Phenomena , Hydantoins/chemical synthesis , Hydantoins/pharmacology , Palladium/pharmacology , Anti-Infective Agents/chemical synthesis , Anti-Infective Agents/chemistry , Anti-Infective Agents/pharmacology , Bacteria/drug effects , Carbon-13 Magnetic Resonance Spectroscopy , Cell Death/drug effects , Cell Line, Tumor , Electric Conductivity , Electrochemical Techniques , Humans , Hydantoins/chemistry , Microbial Sensitivity Tests , Models, Molecular , Molecular Conformation , Molecular Weight , Proton Magnetic Resonance Spectroscopy , Spectrophotometry, Infrared , Thermodynamics
2.
Curr Top Med Chem ; 13(24): 3026-39, 2013.
Article in English | MEDLINE | ID: mdl-24200362

ABSTRACT

Several classes of antimicrobial compounds are presently available; microorganism's resistance to these drugs constantly emerges. In order to prevent this serious medical problem, the elaboration of new types of antibacterial agents or the expansion of bioactivity of the naturally known biosensitive compounds is a very interesting research problem. The synthesis and characterization of metal complexes with organic bioactive ligands is one of the promising fields for the search. The biological activities of the metal complexes differ from those of either the ligand or the metal ion. The results obtained thus far have led to the conclusion that structural factors, which govern antimicrobial activities, are strongly dependent on the central metal ion. A review of papers dealing with the Ag(I) and Hg(II) complexes of N donor ligands is presented. These metal complexes of N-chelating ligands have attracted considerable attention because of their interesting physicochemical properties and pronounced biological activities. This review will mainly focus on the preparation procedures and antibacterial properties of free organic ligands and the corresponding complexes. Finally, a research about antimicrobial properties of new Hg(II) complexes with 5-methyl-5-(4-pyridyl)-2,4-imidazolidenedione (L) and various halogen ions, HgL2X2 (X = Cl¯ (49), Br¯ (50), and I¯ (51)), is reported. Noteworthy antimicrobial activities, evaluated by minimum inhibitory concentration, for these complexes were observed.


Subject(s)
Anti-Bacterial Agents/chemistry , Anti-Bacterial Agents/pharmacology , Organometallic Compounds/chemistry , Organometallic Compounds/pharmacology , Anti-Bacterial Agents/chemical synthesis , Chelating Agents/chemical synthesis , Coordination Complexes , Ligands , Microbial Sensitivity Tests , Models, Molecular , Molecular Structure , Organomercury Compounds/chemical synthesis , Organomercury Compounds/chemistry , Organomercury Compounds/pharmacology , Organometallic Compounds/chemical synthesis , Silver/chemistry
3.
Acta Crystallogr Sect E Struct Rep Online ; 69(Pt 2): o183, 2013 Feb 01.
Article in English | MEDLINE | ID: mdl-23424468

ABSTRACT

In the title ylide, C(31)H(28)ClO(2)P [common name α-acetyl-α-p-chloro-benzoyl-methyl-enetri(p-tol-yl)phospho-rane], the dihedral angle between the 4-chloro-phenyl ring and that of the ylide moiety is 66.15 (10)°. The geometry around the P atom is slightly distorted tetra-hedral [angle range = 105.22 (8)-115.52 (9)°] and the carbonyl O atoms are syn-oriented with respect to the P atom. The ylide group is close to planar [maximum deviation from the least-squares plane = 0.006 (2) Å] and the P-C, C-C and C=O bond lengths are consistent with electron delocalization involving the O atoms.

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