A Total Survey Upon L-Histidine Complexes of Some Toxic Metal Ions(As(III), Cd(II), and Hg(I)) In DMSO-Water Mixtures

In This letter, A Particular study has been done upon some toxic metal ion complexes which is related to one of the HSE aspects. these kind of researches are helpful for understanding the role played by the active site cavities in biological molecules and the bonding behavior of protein residues with the metal ions. The species refined and their relative concentrations under the experimental conditions represent the possible forms of aminoacids inbiofluids. In this letter, An Equilibrium study upon the complex formation of L-histidine with As(III), Cd(II), and Hg(I) has been investigated pH metrically in DMSO-water mixtures (0–60% v/v) at 303 K and 0.16 mol L−1 ionic strength. The models containing different numbers of species were refined by using the computer program MINIQUAD75. The species distribution and the plausible equilibria for the formation of the species are also presented. The computer program SCPHD was used to calculate the correction factor. The following conclusionshave been drawn from the modeling studies of the LHistidine complexes of As(III), Cd(II) and Hg(I) in DMSOwater mixture:(1) L-Histidine forms both protonated and unprotonated complexes under pH range 2.0–9.0. The species detected for the toxic metals As(III) and Cd(II) are: ML2 H4 , ML2 H3 , ML2 H2 , ML2 H, and ML2 . ML2 H4 , ML2 H3 , ML2 , and ML species are detected the case of Hg(I). (2) The linear variation of stability constants as a function of 1/D of the medium indicates the dominance of electrostatic forces over nonelectrostatic forces. The linear increasing trend with DMSO content supports the dominance of the structure forming nature of DMSO over its complexing ability. (3) The order of ingredients in influencing the magnitudes of stability constants due to incorporation of errors in their concentrations is alkali > acid > metal> ligand > volume > log F. (4) Some species are stabilized due to electrostatic interactions and some are destabilized due to the decreased dielectric constant.

کلیدواژه ها:

L-Histidine Complexes ، Toxic Metal Ions ، stability constants ، computer program