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X-ray Diffraction(XRD)for Hydroxyapatite

A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Advanced Materials Characterization".

Deadline for manuscript submissions: closed (10 June 2023) | Viewed by 4041

Special Issue Editors


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Guest Editor
Laboratory of Synthesis and Physical and Chemical Analysis of Functional Materials, Institute of Solid State Chemistry and Mechanochemistry, Kutateladze str. 18, 630090 Novosibirsk, Russia
Interests: X-ray powder diffraction; crystal structure of minerals and inorganic solids; substitution; bioceramic; calcium phosphates; mechanochemistry; selective laser treatment
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Guest Editor
Laboratory of Composite Ceramic Materials, A. A. Baikov Institute of Metallurgy and Materials Science (IMET), Russian Academy of Sciences, 119334 Moscow, Russia
Interests: synthesis; nanoparticles; bioceramic; calcium phosphates; magnesium phosphates; additive manufacturing; zirconia; alumina
Special Issues, Collections and Topics in MDPI journals

Special Issue Information

Dear Colleagues,

Recent decades have seen significant progress in the science of biomaterials. Hydroxyapatite deserves special attention as it is an analogue of biogenic apatite, the main inorganic component of bone tissue. Synthetic hydroxyapatite is widely applied in medicine as a material for printing implants, a carrier for drug delivery and an anticancer/imaging agent, as a basis of cements or composites, and is used in the form of nanoparticles, powders, and ceramics.

In addition to being an indispensable material for medicine, hydroxyapatite has many other applications; it is a catalyst or catalyst support for various organic reactions and an effective sorbent for water, soil, and air purification. Hydroxyapatite is ready to form various kinds of substitutions, which makes it possible to obtain new properties, for example, antibacterial, antitumor, conductive, or magnetic properties. A wide range of useful properties of hydroxyapatite indicate the great potential of this material and stimulate further research activity.

The main method for monitoring the composition and structure of materials is X-ray diffraction. Using this method, it is possible to simultaneously control both the phase purity of the material and the structural changes; determine the degree of crystallinity, crystallite size, and lattice parameters; carry out the crystal structure refinement; investigate phase transitions under heating; analyze the thermal stability; and calculate the coefficient of thermal expansion of the material.

This Special Issue is dedicated to recent advances in the studies of hydroxyapatite by X-ray diffraction.

For this Special Issue, we invite authors to contribute research articles or reviews on the above-mentioned topics.

Dr. Natalia V. Bulina
Dr. Margarita A. Goldberg
Guest Editors

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Keywords

  • X-ray powder diffraction
  • synchrotron diffraction
  • in-situ high temperature diffraction
  • hydroxyapatite
  • substitution
  • dopping
  • phase transformation
  • thermal stability
  • crystal structure
  • strain
  • diffusion
  • thermal expansion

Published Papers (3 papers)

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Research

20 pages, 5389 KiB  
Article
Electrochemical and Structural Characterization of Lanthanum-Doped Hydroxyapatite: A Promising Material for Sensing Applications
by Rocco Cancelliere, Giuseppina Rea, Laura Micheli, Pietro Mantegazza, Elvira Maria Bauer, Asmaa El Khouri, Emanuela Tempesta, Angela Altomare, Davide Capelli and Francesco Capitelli
Materials 2023, 16(13), 4522; https://doi.org/10.3390/ma16134522 - 22 Jun 2023
Cited by 2 | Viewed by 1108
Abstract
In the quest to find powerful modifiers of screen-printed electrodes for sensing applications, a set of rare earth-doped Ca10−xREx(PO4)6(OH)2 (RE = La, Nd, Sm, Eu, Dy, and Tm and x = 0.01, 0.02, 0.10, [...] Read more.
In the quest to find powerful modifiers of screen-printed electrodes for sensing applications, a set of rare earth-doped Ca10−xREx(PO4)6(OH)2 (RE = La, Nd, Sm, Eu, Dy, and Tm and x = 0.01, 0.02, 0.10, and 0.20) hydroxyapatite (HAp) samples were subjected to an in-depth electrochemical characterization using electrochemical impedance spectroscopy and cyclic and square wave voltammetry. Among all of these, the inorganic phosphates doped with lanthanum proved to be the most reliable, revealing robust analytical performances in terms of sensitivity, repeatability, reproducibility, and reusability, hence paving the way for their exploitation in sensing applications. Structural data on La-doped HAp samples were also provided by using different techniques, including optical microscopy, X-ray diffraction, Rietveld refinement from X-ray data, Fourier transform infrared, and Raman vibrational spectroscopies, to complement the electrochemical characterization. Full article
(This article belongs to the Special Issue X-ray Diffraction(XRD)for Hydroxyapatite)
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12 pages, 3996 KiB  
Article
The Mutual Incorporation of Mg2+ and CO32− into Hydroxyapatite: A DFT Study
by Olga N. Makshakova, Marat R. Gafurov and Margarita A. Goldberg
Materials 2022, 15(24), 9046; https://doi.org/10.3390/ma15249046 - 17 Dec 2022
Cited by 9 | Viewed by 1773
Abstract
Hydroxyapatite (HA) with a stoichiometry composition of Ca10(PO4)6(OH)2 is widely applied for various biomedical issues, first of all for bone defect substitution, as a catalyst, and as an adsorbent for soil and water purification. The incorporation [...] Read more.
Hydroxyapatite (HA) with a stoichiometry composition of Ca10(PO4)6(OH)2 is widely applied for various biomedical issues, first of all for bone defect substitution, as a catalyst, and as an adsorbent for soil and water purification. The incorporation of foreign ions changes the acid–base relation, microstructure, porosity, and other properties of the HA materials. Here, we report the results of calculations of the density functional theory and analyze the possibility of two foreign ions, CO32− and Mg2+, to be co-localized in the HA structure. The Na+ was taken into account for charge balance preservation. The analysis revealed the favorable incorporation of CO32− and Mg2+ as a complex when they interact with each other. The energy gain over the sole ion incorporation was pronounced when CO32− occupied the A position and Mg2+ was in the Ca(2) position and amounted to -0.31 eV. In the most energy-favorable complex, the distance between Mg2+ and the O atom of carbonate ion decreased compared to Mg…O distances to the surrounding phosphate or hydroxide ions, and amounted to 1.98 Å. The theoretical calculations agree well with the experimental data reported earlier. Understating the structure–properties relationship in HA materials varying in terms of composition, stoichiometry, and morphology paves the way to rational designs of efficient bio-based catalytic systems. Full article
(This article belongs to the Special Issue X-ray Diffraction(XRD)for Hydroxyapatite)
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15 pages, 4159 KiB  
Article
Diffusion of Copper Ions in the Lattice of Substituted Hydroxyapatite during Heat Treatment
by Natalia V. Bulina, Natalya V. Eremina, Olga B. Vinokurova, Arcady V. Ishchenko and Marina V. Chaikina
Materials 2022, 15(16), 5759; https://doi.org/10.3390/ma15165759 - 20 Aug 2022
Cited by 8 | Viewed by 1371
Abstract
The doping of hydroxyapatite with various substituent ions can give this material new and useful properties. Nonetheless, local distortions of structure after doping can change the properties of the material. In this work, the thermal stability of copper-substituted hydroxyapatite synthesized by the mechanochemical [...] Read more.
The doping of hydroxyapatite with various substituent ions can give this material new and useful properties. Nonetheless, local distortions of structure after doping can change the properties of the material. In this work, the thermal stability of copper-substituted hydroxyapatite synthesized by the mechanochemical method was investigated. In situ diffraction analyses showed that copper ion diffusion during the heating of Cu-substituted hydroxyapatite promotes phase transformations in the substituted hydroxyapatite. The behavior of copper ions was studied in samples with ratios (Ca + Cu)/P = 1.75 and 1.67. It was found that in both cases, single-phase Cu-substituted hydroxyapatite with the general formula Ca10−xCux(PO4)6−y(CO3)y(OH)2−yOy is formed by the mechanochemical synthesis. When heated at approximately 600–700 °C, the lattice loses copper cations, but at higher temperatures, CuO diffusion into the hydroxyl channel takes place. Cuprate-substituted hydroxyapatite with the general formula Ca10(PO4)6(OH)2−2x(CuO2)x forms in this context. At 1200 °C, the sample is single-phase at (Ca + Cu)/P = 1.75. Nonetheless, slow cooling of the material leads to the emergence of a CuO phase, as in the case of (Ca + Cu)/P = 1.67, where the material contains not only CuO but also Cu-substituted tricalcium phosphate. In the manufacture of ceramic products from Cu-substituted hydroxyapatite, these structural transformations must be taken into account, as they alter not only thermal but also biological properties of such materials. Full article
(This article belongs to the Special Issue X-ray Diffraction(XRD)for Hydroxyapatite)
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