Structural and vibrational behaviour of fluorapatite with pressure. Part I: in situ single-crystal X-ray diffraction investigation

Comodi, Paola; Liu, Yu; Zanazzi, P. F.; Montagnoli, M.

doi:10.1007/s002690100154

Cited by 78 publications

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“…For example, the phosphate ¶v i / ¶P in fluorapatite exceeds the carbonate ¶v i / ¶P in carbonates [13][14][15]. Moreover, the values of ¶v i / ¶P in this study are similar to those in the respective minerals reported elsewhere [13][14][15], suggesting that the structural changes governing the changes in vibrational frequency with pressure are similar. The structural changes in fluorapatite and carbonate as a function of pressure are well known.…”

Section: Discussionsupporting

confidence: 78%

“…Nonetheless, movement of any hydroxide would influence the larger phosphate, some of which is adjacent to the column of remaining hydroxide, more than the smaller carbonate. Comodi et al [14,15] have correlated the results of high pressure X-ray diffraction and high pressure Raman spectroscopy. They find that compression is mostly a change of anion/cation spacing, but compression of the phosphate ion itself is about 1/3 as great as compression of the lattice.…”

Section: Discussionmentioning

confidence: 99%

“…The technique, however, is widely used to study minerals, ceramics and polymers under conditions, such as those prevailing on the ocean floor or in the interior of the earth, and is also a convenient method for applying superphysiological loads [7]. Butler and coworkers have conducted extensive IR and Raman studies on pressure-induced changes in phosphate minerals, including hydroxyapatite, monocalcium phosphate and dicalcium phosphate [8][9][10][11], and there have been high pressure studies of calcium fluorapatite [12] as well as of calcite, aragonite and related carbonate minerals [13][14][15]. In this study, our aim was to examine the response (i.e., rate of change of the vibrational frequency of mineral and matrix bands as a function of applied pressure) of cortical bone subjected to hydrostatic compression and to compare the responses to those of a reference synthetic carbonated apatite.…”

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confidence: 99%

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Bone Chemical Structure Response to Mechanical Stress Studied by High Pressure Raman Spectroscopy

et al. 2005

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Abstract. While the biomechanical properties of bone are reasonably well understood at many levels of structural hierarchy, surprisingly little is known about the response of bone to loading at the ultrastructural and crystal lattice levels. In this study, our aim was to examine the response (i.e., rate of change of the vibrational frequency of mineral and matrix bands as a function of applied pressure) of murine cortical bone subjected to hydrostatic compression. We determined the relative response during loading and unloading of mineral vs. matrix, and within the mineral, phosphate vs. carbonate, as well as proteinated vs. deproteinated bone. For all mineral species, shifts to higher wave numbers were observed as pressure increased. However, the change in vibrational frequency with pressure for the more rigid carbonate was less than for phosphate, and caused primarily by movement of ions within the unit cell. Deformation of phosphate on the other hand, results from both ionic movement as well as distortion. Changes in vibrational frequencies of organic species with pressure are greater than for mineral species, and are consistent with changes in protein secondary structures such as alterations in interfibril cross-links and helix pitch. Changes in vibrational frequency with pressure are similar between loading and unloading, implying reversibility, as a result of the inability to permanently move water out of the lattice. The use of high pressure Raman microspectroscopy enables a deeper understanding of the response of tissue to mechanical stress and demonstrates that individual mineral and matrix constituents respond differently to pressure.Key words: Raman spectroscopy -Bone -Biomechanics -Diamond anvil cell -High pressureThe chemical composition and crystal structure of bone play an essential role in its biological and structural functions [1,2]. Bone tissue can be described as a composite of an organic matrix reinforced with an inorganic mineral phase. The organic matrix is about 90% type I collagen fibrils locally oriented predominantly parallel to each other (in long bone) that provide a supporting matrix upon which the mineral crystals grow. The mineral fraction of bone is a highly impure carbonated apatite situated between collagen fibril cross-links and fibril ends. Both the organic and mineral components and the interactions between the two contribute to boneÕs mechanical properties, including strength, toughness and elasticity. It is not clear though how mineral crystallites deform in response to mechanical loading nor how the matrix deforms. This is particularly true at the atomic level. To better understand deformation it is useful to extract atomic-level compositional information about the changes in inorganic and organic phases that occur when bone undergoes mechanical loading.Raman spectroscopy is a powerful technique for relating bone mechanical properties with bone ultrastructural and crystal lattice changes [3]. Raman spectroscopy provides bone vibrational spectra and, like infrared spectros...

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Section: Discussionsupporting

confidence: 78%

Section: Discussionmentioning

confidence: 99%

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confidence: 99%

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Bone Chemical Structure Response to Mechanical Stress Studied by High Pressure Raman Spectroscopy

et al. 2005

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“…Both unit-cell parameters and volume decrease systematically with increasing pressure up to 7.12 GPa; a larger compression along a compared to the one along c, as previously observed in synthetic fluorapatite by Comodi et al (2001), was observed. The BM3 EoS fitted to the volume-pressure data gave the isothermal bulk modulus K = 91.5(3.8) GPa, and the error became smaller with K′ fixed at 4 (BM2) ( Table 1).…”

Section: Introductionsupporting

confidence: 63%

“…With regard to the elastic behavior of apatites, several compression experiments are done (Brunet et al 1999;Comodi et al 2001;Matsukage et al 2004;Schouwink et al 2010;Liu et al 2011) in Table 1 to investigate the compressibility of synthetic and natural apatite. Literature results are listed in Table 1 to compare the bulk modulus and the volume variations between the previous studies for apatite species and our results for carbonate-bearing fluorapatite (CFAP).…”

Section: Introductionmentioning

confidence: 99%

The effect of type-B carbonate content on the elasticity of fluorapatite

Cámara¹,

Curetti²,

Benna³

et al. 2018

Phys Chem Minerals

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The mechanical behavior of carbonate-bearing fluorapatite (CFAP) (with up to 5.5 wt% CO ) was investigated at high pressure up to 7 GPa. (Framont region, France). Preliminary characterization at ambient conditions was done by single-crystal X-ray diffraction study. The structure refinements, in space group P6 /m, confirm a type-B substitution of the phosphate (PO ) group by the carbonate ion (CO ) . The site occupancies for the C atom are 0.04 for FOW and 0.11 for FRA CFAP, in quite good agreement with the 1.6 and 5.5 wt% CO amount obtained by analytical methods. Single-crystal high-pressure XRD study on the two type-B CFAP samples was performed. The FOW and FRA crystals were mounted concurrently in a ETH-type DAC and cell parameters were determined at 26 different pressures up to 6.86 GPa at room T. The variation with pressure of the unit-cell parameters and volume shows no discontinuity that could be related to any possible phase transition in the P range investigated. The linear compressibility coefficients are β = 3.63 × 10 GPa and β = 2.47 × 10 GPa for FOW, and β = 3.67 × 10 GPa and β = 2.65 × 10 GPa for FRA, giving an axial anisotropy of β :β = 1.47:1 and 1.38:1, respectively. The P-V data were fitted by a second-order Birch-Murnaghan EoS and the resulting BM2-EoS coefficients are V = 519.81(7) Å , K = 92.1(3) GPa for FOW, and V = 518.95(9) Å , K = 89.1(4) GPa for FRA CFAP. The results obtained indicate that a 5.5 wt% CO content (type-B) reduces the isothermal bulk modulus by about 9%.

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High‐pressure Raman spectra of tuite, γ‐Ca₃(PO₄)₂

Zhai

Ito

2009

J Raman Spectroscopy

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The Raman spectra of a synthetic tuite, γ -Ca 3 (PO 4 ) 2 , have been measured up to 23.6 GPa using a diamond-anvil cell at room temperature. The data were collected during compression and decompression. No pressure-induced phase transformation was observed in this pressure range. The behaviors of the phosphate modes and the external modes under high pressures were analyzed. The Raman wavenumbers of all modes increased linearly and continuously with pressure. The pressure coefficients of the phosphate modes range from 0.0034 to 0.0049 GPa −1 for ν 3 , 0.0044 GPa −1 for ν 1 , from 0.0020 to 0.0033 GPa −1 for ν 4 , and 0.0037 GPa −1 for ν 2 , whereas the pressure coefficients of the external modes range from 0.0120 to 0.0138 GPa −1 . The corresponding Grüneisen parameters are 0.341-0.491, 0.441, 0.200-0.331 and 0.371 for the phosphate modes ν 3 , ν 1 , ν 4 and ν 2 , respectively, and from 1.20 to 1.38 for the external modes.

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Structural and vibrational behaviour of fluorapatite with pressure. Part I: in situ single-crystal X-ray diffraction investigation

Cited by 78 publications

References 0 publications

Bone Chemical Structure Response to Mechanical Stress Studied by High Pressure Raman Spectroscopy

Bone Chemical Structure Response to Mechanical Stress Studied by High Pressure Raman Spectroscopy

The effect of type-B carbonate content on the elasticity of fluorapatite

High‐pressure Raman spectra of tuite, γ‐Ca₃(PO₄)₂

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Structural and vibrational behaviour of fluorapatite with pressure. Part I: in situ single-crystal X-ray diffraction investigation

Cited by 78 publications

References 0 publications

Bone Chemical Structure Response to Mechanical Stress Studied by High Pressure Raman Spectroscopy

Bone Chemical Structure Response to Mechanical Stress Studied by High Pressure Raman Spectroscopy

The effect of type-B carbonate content on the elasticity of fluorapatite

High‐pressure Raman spectra of tuite, γ‐Ca3(PO4)2

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High‐pressure Raman spectra of tuite, γ‐Ca₃(PO₄)₂