AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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Autori: IZABELLA IRSAI, ADRIAN M.V. BRÂNZANIC, RADU SILAGHI-DUMITRESCU.
DOI: 10.24193/subbchem.2021.3.06
Published Online: 2021-09-30
Published Print: 2021-09-30
pp. 107-121
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Molecular dynamics simulations were employed in order to analyze the interfacial interaction of polylactic acids with zirconia and hydroxyapatite surfaces. The interactions of polymers on five crystallographic planes were simulated. Silane coupling agents can improve the interactions between the bioceramic surfaces and the polylactic acids. The effects of the coupling agents are more evident in the presence of hydroxyapatite surfaces. Weak interactions hold together the polylactic acids and bioceramic systems. These interactions are formed between the hydrogen atoms from methyl groups or from the main chains of the polylactic acids and the oxygens of the surfaces. Polylactic acids change their conformations after molecular dynamics simulations due to the interactions. The conformation changes are more obvious when silane coupling agents are added to the polylactic acids and bioceramic systems.
Keywords: polylactic acid, hydroxyapatite, zirconia, molecular dynamics, weak interactions
