The location of cationic substitutions in carbonated biomimetic apatites significantly affects crystal nanomechanics

Author:

Deymier Alix1,Wong Stephanie1,Eaton Abigail2,Krywka Christina3,Nair Arun4

Affiliation:

1. University of Connecticut Health Center

2. University of Arkansas

3. Helmholtz-Zentrum Hereon

4. Air Force Institute of Technology

Abstract

Abstract Bone and teeth are comprised of carbonate-substituted apatites with cationic substitutions, like sodium and potassium. Cations substitute for calcium in the apatite lattice but it is unclear whether they substitute for Ca(1) or Ca(2). Additionally, although we know that anionic substitutions affect the mineral mechanics, it is unclear how cationic substitutions affect mineral stiffness. Here, a combined experimental and theoretical approach using in situ fluid-mediated hydrostatic loading with synchrotron Wide Angle X-ray Scattering (WAXS) and Density Functional Theory (DFT) is used to elucidate the role of CO32− and Na+ or K+ co-substitutions on the atomic structure and mechanics of biomimetic apatites. Comparison of WAXS and DFT results showed that preferential substitutions at the Ca(1) and Ca(2) sites depended on cationic type and concentration, with a preference for Ca(1) at higher levels of co-substitution. Substitution levels and location of the cationic substitution both significantly affected the modulus of the minerals. This presents a new paradigm for the development of biomimetic apatites with multi-property tunability by considering composition and atomic organization.

Publisher

Research Square Platform LLC

Reference60 articles.

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