Solid-State NMR Study of the Transformation of Octacalcium Phosphate to Hydroxyapatite: A Mechanistic Model for Central Dark Line Formation.

For many years, octacalcium phosphate (OCP) has been postulated as the precursor phase of biological apatite in bones and teeth. In this work, we study the molecular mechanism of OCP to hydroxyapatite (HAp) transformation in vitro by several physical techniques, with particular emphasis on solid-sta...

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Publicado en:Journal of the American Chemical Society Vol. 128; no. 21; pp. 6909 - 6919
Autores principales: Yao-Hung Tseng, Chung-Yuan Mou, Chan, Jerry C. C.
Formato: Artículo
Publicado: American Chemical Society 5/31/2006
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Acceso en línea:Ver este registro en EBSCOhost
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        atl: Solid-State NMR Study of the Transformation of Octacalcium Phosphate to Hydroxyapatite: A Mechanistic Model for Central Dark Line Formation.
      aug:
        au:
          Yao-Hung Tseng
          Chung-Yuan Mou
          Chan, Jerry C. C.
        affil:
          Department of Chemistry, National Taiwan University, No. 1, Section 4, Roosevelt Road, Taipei, Taiwan
          Center of Condensed Matter, National Taiwan University, No. 1, Section 4, Roosevelt Road, Taipei, Taiwan
      su:
        Hydroxyapatite
        Apatite
        Phosphates
        Nuclear magnetic resonance
        Solid state chemistry
        Physical & theoretical chemistry
      sug:
        subj:
          Hydroxyapatite
          Apatite
          Phosphates
          Nuclear magnetic resonance
          Solid state chemistry
          Physical & theoretical chemistry
      ab: For many years, octacalcium phosphate (OCP) has been postulated as the precursor phase of biological apatite in bones and teeth. In this work, we study the molecular mechanism of OCP to hydroxyapatite (HAp) transformation in vitro by several physical techniques, with particular emphasis on solid-state P homonuclear double-quantum (DQ) NMR spectroscopy. The in vitro system is prepared by mixing urea, sodium phosphate monobasic dehydrate, and calcium nitrate tetrahydrate at 100 °C. The images obtained by scanning electron microscopy and transmission electron microscopy show that the bladelike OCP crystals will transform into hexagonal rod-shaped HAp crystals as the pH of the reaction mixture increases slowly from 4.35 to 6.69 in 12 h. Powder X-ray diffraction patterns indicate that a trace amount of monetite was also precipitated when the pH was around 5. Together with computer-assisted lattice matching, our DQ NMR data reveal that OCP crystals transform to HAp topotaxially, where the [0001] and [2110] axes are along the same directions as the [001] and [010] axes, respectively. On the basis of our in vitro results, the formation of the central dark line commonly found in biological hard tissues could be explained by the inherent lattice mismatch between OCP and HAp. Furthermore, the data of the P{1H} cross-polarization NMR suggest that water molecules enter the hydration layers of OCP crystals via the hydrolysis reaction HPO + OH = PO + HO, which also accounts for the deprotonation of the HPO ions during the transformation.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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