Structural analysis of a series of strontium-substituted apatites

O’Donnell, Matthew; Fredholm, Yann C.; Rouffignac, A. de; Hill, Rosalind

doi:10.1016/j.actbio.2008.04.018

Cited by 217 publications

(167 citation statements)

References 16 publications

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“…9,11,13 Our results confirm that the unit cell of hydroxyapatite expands linearly with strontium doping in the range of 0-100 at.%. This relationship can be described with the following equations of linear fit: a = 0.0033x + 9.4232; R 2 = 0.994, and c = 0.004x + 6.8829; R 2 = 0.997.…”

Section: Experimental Unit Cell Of Sr-doped Hasupporting

confidence: 76%

“…6,7 In parallel, a considerable amount of work has been devoted to understand the mechanism of ionic preference and associated changes of the atomic arrangement in crystal lattice with substitution of strontium. [8][9][10][11][12][13][14] In the unit cell of HA crystal there are ten sites occupied by calcium ionsfour of them, denoted Ca-I, form channels parallel to the c-axis (Site I), and the remaining six, named Ca-II (Site II), are located around hydroxyl channels and form calcium triangles.…”

Section: Introductionmentioning

confidence: 99%

“…. In fact, structural characterizations of Sr-doped HA performed with X-ray diffraction data and Rietveld refinement have shown a linear expansion of the unit cell of HA and no miscibility limit has been observed for the range of substitutions from 0 to 100% of Sr. 8,9,11 Structural refinement of Sr-HA by Rietveld method has recently been published. Bigi et al have…”

Section: Introductionmentioning

confidence: 99%

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Unravelling the specific site preference in doping of calcium hydroxyapatite with strontium from ab initio investigations and Rietveld analyses

Żegliński

Nolan

Bredol

et al. 2012

Phys. Chem. Chem. Phys.

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Original citationZeglinski, J., Nolan, M., Bredol, M., Schatte, A. and Tofail, S. A. M. AbstractStrontium can be substituted into calcium sublattice of hydroxyapatite without a solubility limit.However, recent ab initio simulations carried out at 0K report endothermic nature of this process. There is also striking discrepancy between experimentally observed preference of Sr doping at Ca-II site and the first principles calculations, which indicate that Ca-I site is preferred energetically for the Sr substitution. In this paper we combine insights from Density Functional Theory simulations and regular configurational entropy calculations to determine the site preference of Sr doping in the range of 0-100at.% at finite temperatures. In addition, samples of Sr-HA are synthesized and refinement of the relevant structural information provides benchmark information on the experimental unit cell parameters of Sr-HA. We find that the contribution of the entropy of mixing can efficiently overcome the endothermic Excess Energy at a temperature typical of the calcining step in the synthesis route of hydroxyapatite (700-950°C). We observe that the most preferential substitution pattern is mixed substitution of Sr regardless of the concentration. For a wet chemical method, carried out at a moderate temperature (90°C), the mixed doping is still slightly favourable at higher Sr-concentrations, except the range at 20Sr%, where Site II substitution is not restricted energetically and equally possible as the mixed doping.We observe a close correspondence between our theoretical results and available experimental data.Hence it should be possible to apply this theory to other divalent dopants in HA, such as Zn

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Section: Experimental Unit Cell Of Sr-doped Hasupporting

confidence: 76%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Unravelling the specific site preference in doping of calcium hydroxyapatite with strontium from ab initio investigations and Rietveld analyses

Żegliński

Nolan

Bredol

et al. 2012

Phys. Chem. Chem. Phys.

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“…On the basis of this knowledge regarding the function of Sr on bone repair, the preparation of Sr-HA has been studied extensively [8] [13] [14] [15] [16]. In these studies, it has been found that Sr can be substituted into Ca 10−x Sr x (PO 4 ) 6 (OH) 2 by up to x = 10 [8] [13] [14] [15], and that the a-and c-axis lengths increase linearly with x [8] [13]. Progress in the preparation of bulk Sr-HA, however, has not been sufficient to successfully apply these materials into medical and dental devices.…”

Section: Introductionmentioning

confidence: 99%

Systematic Relationship between Sr Content and the Lattice Constants in Sr Substituted Hydroxyapatite Thin Films

Nishikawa¹,

Saito²,

Miyake³

et al. 2017

JCPT

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To increase the biocompatibility of hydroxyapatite (HA), Ca 10 (PO 4 ) 6 (OH) 2 , the Sr substitution of Ca into the HA structure was effected to yield Ca 10−x Sr x (PO 4 ) 6 (OH) 2 (Sr-HA). For medical and dental applications, it is important that Sr-HA is prepared as a thin film so that the Sr fully substitutes the Ca sites in the HA structure and does not form segregated impurities consisting of Sr compounds. If the segregated Sr forms different amounts of different impurities, the dissolution of the Sr into the living body will not be reproducible across different samples. To confirm the Sr substitution into the Ca site in the HA structure, the systematic variation in the lattice constants of the Sr-HA with Sr content was evaluated as the first step. The a-and c-axis lengths were found to exhibit a linear relationship with the Sr content for six samples with different Sr contents, indicating that the prepared Sr-HA thin films likely possessed partial Sr substitution into the Ca sites of the HA structure. This result is an important first step in the accurate evaluation of the biological effects of Sr-HA thin films.

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“…Furthermore, the maximal amount of trace elements that can be contained in synthetic apatite lattices varies according to the radius and valence state of ions. Strontium substitution towards calcium can happen in a range varying from 0 to 100 at% in apatite [53], but this value is limited to about 15 at% for zinc [54].…”

Section: Trace Elements and Bone Mineralmentioning

confidence: 99%

Improving the bone forming ability of synthetic bone substitutes using trace element additions

Luo¹

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Structural analysis of a series of strontium-substituted apatites

Cited by 217 publications

References 16 publications

Unravelling the specific site preference in doping of calcium hydroxyapatite with strontium from ab initio investigations and Rietveld analyses

Unravelling the specific site preference in doping of calcium hydroxyapatite with strontium from ab initio investigations and Rietveld analyses

Systematic Relationship between Sr Content and the Lattice Constants in Sr Substituted Hydroxyapatite Thin Films

Improving the bone forming ability of synthetic bone substitutes using trace element additions

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