Computed Distribution of Quaternary Complexes of Cu(II), Zn(II) Co(II) and Ni(II) with Citrulline and Tryphtophan as Primary Ligand and Thymine as Secondary Ligand

摘要

Investigation in solution exhibits the interest of chemist in thermodynamic aspects, which include knowledge of the stability constant of complexes with ligands of biochemical interest. It has been relevant for the experimental modeling of both reactions of metal ions with biomolecules and non-covalent interactions occurring in biological system. Stability constant data have been utilized to compute the equilibrium constant of ternary and quaternary complexes of citrulline/tryptophan and thymine with Cu(II), Zn(II) Co(II) and Ni(II) using SCOGS computer program at 37 +/- 1 degrees C and in ionic strengthI = 0.1 M NaNO3. The metal-ligand formation constant of MA, MB, MAB and M(1)M(2)AB type of complexes follows Irving William order. The distribution curves of various complex species occurring at the different physiological pH have been discussed, and solution structures with an explanation of plausible equilibria have been proposed.