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Protein-free formation of bone-like apatite: New insights into the key role of carbonation

Deymier, Alix C. and Nair, Arun K. and Depalle, Baptiste and Qin, Zhao and Arcot, Kashyap and Drouet, Christophe and Yoder, Claude H. and Buehler, Markus J. and Thomopoulos, Stavros and Genin, Guy M. and Pasteris, Jill D. Protein-free formation of bone-like apatite: New insights into the key role of carbonation. (2017) Biomaterials, 127. 75-88. ISSN 0142-9612

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Official URL: https://doi.org/10.1016/j.biomaterials.2017.02.029


The nanometer-sized plate-like morphology of bone mineral is necessary for proper bone mechanics and physiology. However, mechanisms regulating the morphology of these mineral nanocrystals remain unclear. The dominant hypothesis attributes the size and shape regulation to organic-mineral interactions. Here, we present data supporting the hypothesis that physicochemical effects of carbonate integration within the apatite lattice control the morphology, size, and mechanics of bioapatite mineral crystals. Carbonated apatites synthesized in the absence of organic molecules presented plate-like morphologies and nanoscale crystallite dimensions. Experimentally-determined crystallite size, lattice spacing, solubility and atomic order were modified by carbonate concentration. Molecular dynamics (MD) simulations and density functional theory (DFT) calculations predicted changes in surface energy and elastic moduli with carbonate concentration. Combining these results with a scaling law predicted the experimentally observed scaling of size and energetics with carbonate concentration. The experiments and models describe a clear mechanism by which crystal dimensions are controlled by carbonate substitution. Furthermore, the results demonstrate that carbonate substitution is sufficient to drive the formation of bone-like crystallites. This new understanding points to pathways for biomimetic synthesis of novel, nanostructured biomaterials.

Item Type:Article
HAL Id:hal-02390572
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Other partners > Columbia University (USA)
Other partners > Franklin and Marshall College (USA)
Université de Toulouse > Institut National Polytechnique de Toulouse - Toulouse INP (FRANCE)
Other partners > Massachusetts Institute of Technology - MIT (USA)
Other partners > University of Arkansas (USA)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UT3 (FRANCE)
Other partners > Washington University in St. Louis (USA)
Other partners > Imperial College London (UNITED KINGDOM)
Other partners > Lancaster University (UNITED KINGDOM)
Laboratory name:
Deposited On:03 Dec 2019 09:45

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