Influence of Water on the Adsorption Sites of Cycline Antibiotics onto Hydroxyapatite Surfaces.

ABSTRACT: Hydroxyapatite (HA) functionalized nanoparticles are particularly important in bone and tooth regeneration. This study continues previous work aimed at understanding the interaction of cycline antibiotics with different HA surfaces, now incorporating the effect of hydration on adsorption energies as calculated using density functional theory. The strength of these interactions was analyzed through the quantum theory of atoms in molecules (QTAIM). The adsorption isotherm of nearly stoichiometric HA followed Langmuir-Freundlich kinetics. Minocycline exhibited higher adsorption energy than doxycycline and tetracycline. The nonhydrated adsorption behavior of minocycline is compared to earlier results for doxycycline and tetracycline, while this study also evaluates adsorption on hydrated HA su

SUBMITTER: Soria-Martinez R 

PROVIDER: S-EPMC12530039 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature