Bioresorbable carbonated hydroxyapatite Ca10−xNax(PO4)6−x(CO3)x(OH)2 powders for bioactive materials preparation

Kovaleva, E. S.; Shabanov, M. P.; Putlyaev, V. I.; Tretyakov, Yury D.; Ivanov, V. K.; Silkin, Nikolay I.

doi:10.2478/s11532-009-0018-y

Cited by 25 publications

(21 citation statements)

References 10 publications

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“…Then, the precipitates were filtered, thoroughly washed with 1 l of distilled water and allowed to dry at room temperature (RT) overnight. Other details of the synthesis and post-synthesis treatments are given in [17,18]. 55…”

Section: Synthesis Of Hap Powdersmentioning

confidence: 99%

Nitrogen-containing species in the structure of the synthesized nano-hydroxyapatite

et al. 2014

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Synthesized by the wet chemical precipitation technique hydroxyapatite powders (HAp) with the sizes of the crystallites of (20-10 50) nm and 1 m were analyzed by multi-frequency (9 and 95 GHz) electron paramagnetic resonance (EPR) methods. It is shown that during the synthesis process nitrate anions from the reagents (by-products) could incorporate into the HAp structure. The relaxation times and EPR parameters of the axially symmetric NO 3 2paramagnetic centers detected after X-ray irradiation of the product at room temperature are measured with high accuracy. Assignments of the observed EPR spectra as compared with that given in literature are discussed. Analyses of electron-nuclear double resonance (ENDOR) data from 1 H and 31 P nuclei and ab-15 initio density functional theory (DFT) calculations allow suggesting that the paramagnetic centers and nitrate anions as the precursors of NO 3 2radicals preferably occupy PO 4 3site in the HAp structure. 65 110 Troullier-Martins pseudopotentials [27] with the plane-wave cutoff energy of 70 Ry.

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Section: Synthesis Of Hap Powdersmentioning

confidence: 99%

Nitrogen-containing species in the structure of the synthesized nano-hydroxyapatite

et al. 2014

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“…In particular, it presents an average content of about 6% in weight of carbonate ions, which may substitute both hydroxyl groups in the c ‐axis channel of apatite (“type A” substitution) and/or phosphate groups (“type B” substitution) . The two substitutions usually coexist in a solid solution (giving rise to mixed type A‐B substitutions) in carbonated hydroxylapatite (COHAp), and the order of occurrence of type A and type B substitutions were extensively studied . The effects of type A, type B, and type A‐B substitutions on the unit cell variations and on the spatial orientation of the carbonate ion within the OHAp lattice were extensively studied at both the experimental and theoretical levels, aiming at a better comprehension of the mineralization, demineralization, and remineralization properties of carbonated hydroxylapatite.…”

Section: Introductionmentioning

confidence: 99%

First principle investigation of the thermomechanical properties of type A carbonated apatite

Ulian

Valdrè

2019

Int J of Quantum Chemistry

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Calcium apatites with the general chemical formula (Ca, X) 10 (PO 4 , Y) 6 Z 2 represent a mineral family of utmost importance in several fields, for example, bone biology, biomaterials, and mineralogy. However, few works have focused on the mechanical properties of these phases, and in particular, no data are available on the thermomechanical and thermodynamic properties of carbonate-bearing (hydroxyl)apatites. In the present work, the equation of state of type A carbonated apatite (CAp, Ca 10 (PO 4 ) 6 CO 3 , space group P1) was calculated by ab initio quantum mechanical methods within the density functional theory (DFT) framework. Starting from athermal results (at 0 K), the combined effect of temperature and pressure was investigated through the quasiharmonic approximation (QHA). In athermal conditions, the equation of state of the CAp unit cell volume can be described by a third-order Birch-Murnaghan formulation, with parameters V 0 = 538.14(5) Å 3 , K 0 = 106.2(7) GPa, and K 0 = 4.6(4). The QHA well described the temperature and pressure dependence of the thermodynamics and mechanical properties of the mineral. For instance, the bulk modulus at 0 GPa and ambient temperature (300 K) is K T0 = 102.95 GPa, which is lower than that of stoichiometric apatite by about 6%. The unit cell thermal expansion coefficient between 0 and 600 K was also calculated and reported. The results are in line with the few available experimental data reported in literature on type AB carbonated hydroxylapatite. The reported findings further extend the knowledge of the mechanical and thermal behaviors of this important mineral found in biological environments, results that are useful for biotechnological and other applications of the (C)OHAp phases. K E Y W O R D S bone mineralogy, carbonated apatite, DFT, Gaussian-type orbitals, quasiharmonic approximation

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“…5 Studies have also showed that the dissolution rates of synthetic cHAP powders were higher in comparison to pure HAP and the bioactivity of samples increased with increasing carbonate content. 4 The higher osteoconductive properties and earlier bioresorption of the cHAP implants, as compared to HAP samples, were also reported. 6 Conventionally, synthetic apatites are produced by a wet synthesis approach when precipitates of calcium phosphates in the amorphous or crystalline phase are directly formed under mixing calcium and phosphate ions.…”

Section: Introductionmentioning

confidence: 84%

Fabrication of a composite of nanocrystalline carbonated hydroxyapatite (cHAP) with polylactic acid (PLA) and its surface topographical structuring with direct laser writing (DLW)

et al. 2016

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The fabrication of polylactic acid (PLA)-carbonated hydroxyapatite (cHAP) composite material from synthesised phase pure nano-cHAP and melted PLA by mechanical mixing at 220-235 °C has been developed in this study. Topographical structuring of PLA-cHAP composite surfaces was performed by direct laser writing (DLW). Microstructured surfaces and the apatite distribution within the composite and formed grooves were evaluated by optical and scanning electron microscopies. The influence of the dopant concentration as well as the laser power and translation velocity on the composite surface morphology is discussed. The synthesis of carbonated hydroxyapatite (cHAP) nanocrystalline powders via wet chemistry approach from calcium acetate and diammonium hydrogen phosphate precursors together with crosslinking and complexing agents of polyethylene glycol, poly(vinyl alcohol) and triethanolamine is also reported.Thermal decomposition of the gels and formation of nanocrystalline cHAP were evaluated by thermal analysis, mass spectrometry and dilatometry measurements. The effect of organic additives on the formation and morphological features of cHAP was investigated. The phase purity and crystallinity of the carbonated apatite powders were evaluated by X-ray diffraction analysis and FT-IR spectroscopy.2

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Bioresorbable carbonated hydroxyapatite Ca10−xNax(PO4)6−x(CO3)x(OH)2 powders for bioactive materials preparation

Cited by 25 publications

References 10 publications

Nitrogen-containing species in the structure of the synthesized nano-hydroxyapatite

Nitrogen-containing species in the structure of the synthesized nano-hydroxyapatite

First principle investigation of the thermomechanical properties of type A carbonated apatite

Fabrication of a composite of nanocrystalline carbonated hydroxyapatite (cHAP) with polylactic acid (PLA) and its surface topographical structuring with direct laser writing (DLW)

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