Chemical modeling studies of bioactive ternary material species

• Main Authors: Veeraswami, B., Nageswara Rao, G.
• Format: Conference Proceeding
• Language: English
• Subjects: 1, 2-propanediol; Bioactive material; Finest ternary species; Statistical specifications
• ISSN: 2214-7853; 2214-7853
• DOI: 10.1016/j.matpr.2020.08.416

•The predictive active forms of proline are LH2+, LH, L− and for valine XH2+, XH, X- at physiological pH range.•The best suitable and more abundant ternary species for Mn(II) ion are MLX, MLXH+ and MLXH2+2 with L and X ligands in PG-water mixtures at the restricted pH range.•Ternary species have greater stability comparatively binary species supported by calculated log X and Δ log K results.•The order these factors affect on stability constant is [OH−] > [H+] > [M] > [X] > [L] > log F. The trace amount of manganese biomaterial in body cause many physiological and chemical changes are responsible for regeneration and osteochondral tissues. This study concerns the chemical speciation of the combined ligand hydrophobic amino acids (L-proline and L-valine) coordinated with metal ion (M: Mn2+) at a distinct ratio of the 1, 2-propanediol (PG) and aqua composites (0.0 ∼ 60.0% v/v) at the temperature 303.0 K. At various strengths of M, L and X and the titrimetric trials had been carried out in alkaline madia. The finest ternary species MLX, MLXH+, MLXH22+ for Mn2+ were predicted on exhaustive modeling studies with MINIQUAD75 followed by further correlation with the similar findings from distribution diagrams. Moreover, the dielectric constant of solvent (1/D) and the strength of various influential parameters had shown to affect significantly the ternary stability constant.