Inhibition of hydroxyapatite formation in the presence of titanocene-amino acid complexes: an experimental and computational study.

Organometallic compounds have been used in various fields of chemistry, medicine and materials science. Central metal, stereochemical configuration and functional groups of the substitutes give to the organometallic compounds very special and selective properties. These properties have been used successfully in selective-antitumor-targeting, as well as anti-arthritic drugs. In the present investigation we study the influence of two organometallic compounds on the inhibition of crystallization of hydroxyapatite. These compounds are complexes of Ti(IV) with the general formula [Cp2Ti(aa)2](2+)2Cl(-), where Cp = η (5)-C5H5 cyclopentadienyl and aa the amino acid glycine or alanine. The experiments were conducted according to the constant composition technique in supersaturated solutions containing calcium and phosphate ions. The kinetic results indicate a surface diffusion controlled mechanism of the hydroxyapatite (HAP) crystals. The experiments prove that the presence of [Cp2Ti(Ala)2](2+)2Cl(-) and [Cp2Ti(Gly)2](2+)2Cl(-) complexes affects drastically the profile formation rate of the HAP crystals under biological conditions. The complex with the amino acid alanine provides a stronger inhibition of the formation rate comparing to the complex with glycine. The experimental observations are supported by computer calculations.