Near-Infrared (NIR) Spectroscopy of Synthetic Hydroxyapatites and Human Dental Tissues

Kolmas, Joanna; Marek, D.; Kołodziejski, Wacław

doi:10.1366/14-07720

Cited by 28 publications

(75 citation statements)

References 65 publications

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“…Mid-infrared spectral absorbances from apatite and other calcium phosphates arise primarily from the phosphate component, and the contour and frequencies of the phosphate absorbances are spectral fingerprints for the type and amount of mineral present in tissue [34]. In contrast, there is no phosphate (PO 4 ) absorbance in the NIR spectral region[64]. However, there are small absorbances from P-OH moities of hydroxyapatite, and from water on the surface or bound to the mineral phase[64].…”

Section: 0 Discussionmentioning

confidence: 99%

“…In contrast, there is no phosphate (PO 4 ) absorbance in the NIR spectral region[64]. However, there are small absorbances from P-OH moities of hydroxyapatite, and from water on the surface or bound to the mineral phase[64]. Understanding these absorbances could indeed be helpful for investigation of bone quality, but the challenge of confirming these low-intensity absorbances in intact bone requires a separate thorough investigation.…”

Section: 0 Discussionmentioning

confidence: 99%

“…Possible environments for these water absorbances are pore water, loosely bound to mineral or collagen, structurally incorporated into mineral or collagen, or a combination of these. Further, there could also be contributions from non-water OH bonds, such as from P-OH on the surface or within the apatite crystals[64]. There are several water compartments in collagen, including surface, within the triple helical structure, or connecting helices that are within the same fibril [83].…”

Section: 0 Discussionmentioning

confidence: 99%

“…Therefore, they are widely used to monitor water, lipids, proteins and sugars, in spite of potentially much lower intensities. The absorbances from phosphate are very small in the NIR spectral region, and have not been widely used to monitor calcium phosphate compounds including bone apatite[64]. NIR spectral features are generally broad, with overlapping and low intensities, as they arise from combination and overtone absorbances of molecular vibrations[53].…”

Section: Introductionmentioning

confidence: 99%

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Non-destructive NIR spectral imaging assessment of bone water: Comparison to MRI measurements

Rajapakse

Padalkar

Yang

et al. 2017

Bone

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Bone fracture risk increases with age, disease states, and with use of certain therapeutics, such as acid-suppressive drugs, steroids and high-dose bisphosphonates. Historically, investigations into factors that underlie bone fracture risk have focused on evaluation of bone mineral density (BMD). However, numerous studies have pointed to factors other than BMD that contribute to fragility, including changes in bone collagen and water. The goal of this study is to investigate the feasibility of using near infrared spectral imaging (NIRSI) to determine the spatial distribution and relative amount of water and organic components in whole cross-sections of bone, and to compare those results to those obtained using magnetic resonance imaging (MRI) methods. Cadaver human whole-section tibiae samples harvested from 18 donors of ages 27–97 years underwent NIRSI and ultrashort echo time (UTE) MRI. As NIRSI data is comprised of broad absorbances, second derivative processing was evaluated as a means to narrow peaks and obtain compositional information. The (inverted) second derivative peak heights of the NIRSI absorbances correlated significantly with the mean peak integration of the water, collagen and fat NIR absorbances, respectively, indicating that either processing method could be used for compositional assessment. The 5797 cm−1 absorbance was validated as arising from the fat present in bone marrow, as it completely disappeared after ultrasonication. The MRI UTE-determined bound water content in tibial cortical bone samples ranged from 62 to 91%. The NIRSI water peaks at 5152 cm−1 and at 7008 cm−1 correlated significantly with the UTE data, with r = 0.735, p = 0.016, and r = 0.71, p =.0096, respectively. There was also a strong correlation between the intensity of the NIRSI water peak at 7008 cm−1 and the intensity of the collagen peak at 4608 cm−1 (r = 0.69, p = 0.004). Since NIRSI requires minimal to no sample preparation, this approach has great potential to become a gold standard modality for the investigation of changes in water content, distribution, and environment in pre-clinical studies of bone pathology and therapeutics.

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Section: 0 Discussionmentioning

confidence: 99%

Section: 0 Discussionmentioning

confidence: 99%

Section: 0 Discussionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Non-destructive NIR spectral imaging assessment of bone water: Comparison to MRI measurements

Rajapakse

Padalkar

Yang

et al. 2017

Bone

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“…The presence of water, even after drying, can also be attributed to the high hydrophilicity of the calcium phosphate crystals formed on the surfaces of the nanocomposites. From the NIR spectra of synthetic apatites, Kolmas et al observed the behavior of the adsorbed water in calcium phosphate crystals and verified that it could be present in different ways: (1) as structural water contained in the internal volume of the crystalline lattice; (2) as water adsorbed by Ca + cations or by hydrogen bonds in the P‐OH groups present on the surfaces of the crystal, or (3) as free surface water.…”

Section: Resultsmentioning

confidence: 99%

Surface modification using the biomimetic method in alumina‐zirconia porous ceramics obtained by the replica method

et al. 2018

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The modification of biomaterials approved by the Food and Drug Administration could be an alternative to reduce the period of use in humans. Porous bioceramics are widely used as support structures for bone formation and repair. This composite has essential characteristics for an implant, including good mechanical properties, high chemical stability, biocompatibility and adequate aesthetic appearance. Here, three-dimensional porous scaffolds of Al O containing 5% by volume of ZrO were produced by the replica method. These scaffolds had their surfaces chemically treated with phosphoric acid and were coated with calcium phosphate using the biomimetic method simulated body fluid (SBF, 5×) for 14 days. The scaffolds, before and after biomimetic coating, were characterized mechanically, morphologically and structurally by axial compression tests, scanning electron microscopy, microtomography, apparent porosity, X-ray diffractometry, near-infrared spectroscopy, inductively coupled plasma optical emission spectroscopy, energy dispersive X-ray spectroscopy and reactivity. The in vitro cell viability and formation of mineralization nodules were used to identify the potential for bone regeneration. The produced scaffols after immersion in SBF were able to induce the nodules formation. These characteristics are advantaged by the formation of different phases of calcium phosphates on the material surface in a reduced incubation period. © 2018 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 106B: 2615-2624, 2018.

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A correlation between hydroxyl vibrations under compression and anharmonicity: glaucophane as a test case

Williams

2023

Phys Chem Minerals

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The infrared hydroxyl bands and first hydroxyl combination bands of glaucophane are characterized under pressure. In this weakly hydrogen-bonded mineral, the anharmonicity parameter, as determined from the difference between combinations and the fundamentals, is nearly constant with pressure to 15 GPa, indicating that the ambient pressure value of hydroxyl-bond anharmonicity closely reflects its value at high pressures. Given this near-constancy, the Grüneisen parameters of the hydroxyl stretching vibrations of a wide range of minerals, as derived from the pressure dependence of their O–H stretching frequencies, are correlated with the anharmonic parameter of each vibration, as determined from the ambient pressure offset of the summed frequencies of the fundamental n = 0 to 1 transitions and the frequency of the hydroxyl combination or overtone band corresponding to the n = 0 to 2 transition. This correlation is motivated by (1) the anharmonic origin of the Grüneisen parameter; and (2) the grossly similar form of the interatomic potential governing weak- and medium-strength hydrogen bonding in many minerals. This possible correlation provides a means through which the likely pressure-induced hydroxyl mode shifts of phases might be estimated from ambient pressure near-infrared measurements and emphasizes the importance of near-infrared combination/overtone band measurements. In this context, the combination/overtone bands of high-pressure hydrous phases are almost completely uncharacterized, and thus one probe of their anharmonicity has been neglected. Such information directly constrains the nature of hydrogen bonding in these phases, and hence provides possible insights into both their retention of hydrogen and its mobility. Deviations from the anharmonicity-Grüneisen parameter correlation, when observed (as may be the case in prehnite), could provide insights into anomalous effects on the hydroxyl potential well induced by bifurcated H-bonds, pressure-dependent Davydov splitting, or the influence of neighboring cations.

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Near-Infrared (NIR) Spectroscopy of Synthetic Hydroxyapatites and Human Dental Tissues

Cited by 28 publications

References 65 publications

Non-destructive NIR spectral imaging assessment of bone water: Comparison to MRI measurements

Non-destructive NIR spectral imaging assessment of bone water: Comparison to MRI measurements

Surface modification using the biomimetic method in alumina‐zirconia porous ceramics obtained by the replica method

A correlation between hydroxyl vibrations under compression and anharmonicity: glaucophane as a test case

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