Journal Article

PUBDB-2025-00193

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png The location of cationic substitutions in carbonated biomimetic apatites significantly affects crystal nanomechanics

Wong, S.Extern* ; Eaton, A. ; Krywka, C.Extern*HZG*Hereon* ; Deymier, A. (Corresponding author)Extern*

2024
Springer Nature [London]

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Please use a persistent id in citations: doi:10.1038/s41598-024-66783-7  doi:10.3204/PUBDB-2025-00193

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.

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Contributing Institute(s):

1. DOOR-User (DOOR ; HAS-User)
2. Helmholtz-Zentrum Hereon (Hereon)

Research Program(s):

1. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
2. FS-Proposal: I-20220348 (I-20220348) (I-20220348)

Experiment(s):

1. PETRA Beamline P07 (PETRA III)

Appears in the scientific report 2024

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