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Proton-ligand association constants of 1-benzoyl(1,2,4-triazol-3-yl)thiourea (BTTU) and its complex formation constants with some bivalent metal ions Ni(II), Co(II), Mn(II), Zn(II), and Cu(II), have been determined potentiometrically in 50% EtOH–H2O and 0.1 M NaNO3. The complexes formed in solution have a stoichiometry of 1:1 and 1:2 [M:L], where M represents the metal ion and L the BTTU ligand. The corresponding thermodynamic parameters are derived and discussed. The complexes are stabilized by enthalpy changes and the results suggest that complexation is an enthalpy-driven process. The effects of metal ion, ionic radius, electronegativity, and nature of ligand on the formation constants are discussed. The formation constants of the complexes with 3d transition metals follow the order Mn2+ < Co2+ < Ni2+ < Cu2+ > Zn2+. The metal complexes were synthesized and characterized by elemental analyses, conductance, IR,1H NMR, and magnetic measurements. The low magnetic moment of 0.11 BM for the Cu(II) complex is suggestive of dimerization through Cu–Cu interaction. The concentration distribution diagrams of the complexes were evaluated. The ligands and their metal complexes have been screenedin vitroagainst some bacteria and fungi. [ABSTRACT FROM AUTHOR]

[Pd(BHEP)Cl2] (BHEp = 1,4-bis(2-hydroxyethyl)piperazine) was synthesized and characterized. The palladium center has a typical square-planar geometry with a tetrahedral distortion. The alcohol groups of the ligand do not participate in binding to Pd(II). The DFT/B3LYP method was used for geometric optimization of the ligand and the complex using the Gaussian 09 program and compared with experimental results. The stoichiometry and stability constants of the complexes formed between [Pd(BHEP)(H2O)2]2+and some selected amino acids, peptides, and DNA constituents were investigated at 25 °C and 0.1 M ionic strength. The binuclear complex [(H2O)(BHEP)Pd(Bip)Pd(BHEP)(H2O)]4+was detected, where Bip = 4,4′-bipiperidine. Inosine, uracil, and thymine interact with the binuclear complex via substitution of both coordinated water molecules. The potentiometric results were complimented by spectroscopic measurements. The concentration distribution diagrams of the various species formed were evaluated. [ABSTRACT FROM AUTHOR]

Abstract: The synthesis and X-ray structural characterization of Pd(DMPA)Cl2 complex, where DMPA= N,N-dimethylaminopropylamine, is reported. The complex crystallizes in the space group P21/c, a =8.8923(4), b =10.9050(5), c =11.5006(7) Å, β =120.00(18)°, V =948.25(8) Å3, Z =4. The palladium centre has a typical square-planar geometry with a tetrahedral distortion. Stoichiometry and stability constants of the complexes formed between [Pd(DMPA)(H2O)2]2+ and some selected DNA constituents and cytsteine are investigated at 25°C and at constant 0.1M ionic strength. The concentration distribution diagrams of the various species formed are evaluated. The equilibrium constants for the displacement of coordinated ligands as inosine by cysteine are calculated. The results are expected to contribute to the chemistry of tumour therapy. [Copyright &y& Elsevier]

Abstract: Pd(dmen)Cl2 complex was synthesized and characterized, where dmen=N,N-dimethylethylenediamine. Stoichiometry and stability constants of the complexes formed between [Pd(dmen)(H2O)2]2+ and various biologically relevant ligands such as amino acids, peptides and dicarboxylic acids are investigated at 25°C and at constant 0.1M ionic strength. The concentration distribution diagrams of the various species formed are evaluated. The equilibrium constants for the displacement of coordinated ligands as inosine, glycine or methionine by cysteine are calculated. The results are expected to contribute to the chemistry of tumour therapy. [Copyright &y& Elsevier]

Abstract: Pd(DHP)Cl2 and Pd(DHP)(CBDCA) complexes (DHP=1,3-diamino-2-hydroxopropane and CBDCA=1,1-cyclobutanedicarboxylate), were synthesized and characterized by elemental analysis, IR and NMR spectral measurements. The coordination of [Pd(DHP)(H2O)2]2+ with some selected bio-relevant ligands, containing different functional groups was investigated. The ligands used are amino acids, peptides, DNA constituents and dicarboxylic acids. Stoichiometry and stability constants of the complexes formed are reported at 25°C and 0.1M ionic strength. The results show the formation of 1:1 complexes with amino acids and dicarboxylic acids. DNA constituents form 1:1 and 1:2 complexes. Peptides form both 1:1 complexes and the corresponding deprotonated amide species. The effect of chloride ion concentration and dioxane on the acid dissociation constants of 1,1-cyclobutane dicarboxylic acid (CBDCAH2) and the formation constant of its complex with Pd(DHP)2+ was reported. The equilibrium constants for the displacement of coordinated ligands as uracil, glycine or methionine by cysteine are calculated. The results are expected to contribute to the chemistry of antitumour agents. [Copyright &y& Elsevier]

Abstract: Pd(deen)Cl2 and Pd(deen)(CBDCA) complexes, where deen= N,N-diethylethylenediamine and CBDCA=1,1-cyclobutanedicarboxylate, were synthesized and characterized by elemental analysis and spectroscopic techniques. The stoichiometry and stability of the complexes formed between various biologically relevant ligands (amino acids, peptides, DNA constituents and dicarboxylic acids) and [Pd(deen)(H2O)2]2+ were investigated at 25°C and 0.1M ionic strength. The speciation diagrams of the complexes formed in solutions are evaluated. The mode of coordination of glycylglycine is investigated by spectrophotometric measurements. The equilibrium constants for the displacement of coordinated ligands as inosine, glycine or methionine by mercaptoethylamine are calculated. The results are expected to contribute to the chemistry of antitumour agents. [Copyright &y& Elsevier]

Pd(DME)Cl2 complex was synthesized and characterized, where DME is 2-{[2-(dimethylamino)ethyl]-methylamino}ethanol. Stoichiometry and stability constants of the complexes formed between various biologically relevant ligands (amino acids, peptides, DNA constituents, and dicarboxylic acids) and [Pd(DME)(H2O)2]2+ are investigated at 25°C and at constant 0.1 M ionic strength. The effect of dielectric constant of the medium on the stability constant of Pd(DME)-CBDCA complex, where CBDCA is cyclobutanedicarboxylate, is also reported. The concentration distribution diagrams of the various species formed are evaluated. The kinetics of base hydrolysis of amino acid esters coordinated to Pd(DME)2+ complex is investigated. The effect of the temperature on the kinetics of base hydrolysis of glycine methyl ester complex is studied. © 2010 Wiley Periodicals, Inc. Int J Chem Kinet 42: 608–618, 2010 [ABSTRACT FROM AUTHOR]

The interaction of dimethyltin(IV) dichloride (DMT) with 1,4-piperazine (PIP) was investigated. The complex formation equilibria of the complexes formed in solution were investigated. The stoichiometry and stability constants of the complexes formed in solution phase were determined at different temperatures and in solutions of dioxane–water mixtures of different dielectric constants. The equilibrium constant for the displacement of piperazine coordinated to dimethyltin(IV) by inosine as a representative of DNA was calculated. (DMT)(PIP)·3H2O was synthesized and characterized by elemental analysis, spectral, and thermal techniques. The antitumor activity of the complex was screened. [ABSTRACT FROM PUBLISHER]