Abstract
We elucidated a number of facets regarding arginine–glycine–aspartate (RGD)–bismuth ferrite (BFO)-(111) membrane interactions and reactivity that have previously remained unexplored on a molecular level. Results demonstrate the intra-molecular interaction facilitates a “horseshoe” structure of RGD adsorbed onto the BFO-(111) membrane, through the electrostatic (Asp-cation-Fe) and water-bridge (OH2O and H2ONH2) interactions. The effect of structural and electron-transfer interactions is attributed to the cation-valences, indicating that the divalent cations are electron-acceptors and the monovalent cations as electron-donors. Notably, the strongly bound Ca2+ ion exerts a “gluing” effect on the Asp-side-chain, indicating a tightly packed RGD–BFO configuration. Thus, modulating the biological response of BFO-(111) membrane will allow us to design more appropriate interfaces for implantable diagnostic and therapeutic perovskite-type micro-devices.
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