Measures of Bone Mineral Carbonate Content and Mineral Maturity/Crystallinity for FT-IR and Raman Spectroscopic Imaging Differentially Relate to Physical–Chemical Properties of Carbonate-Substituted Hydroxyapatite

Taylor, Erik A.; Mileti, Cassidy J; Ganesan, Sandhya; Kim, Joo Ho; Donnelly, Eve

doi:10.1007/s00223-021-00825-4

Cited by 34 publications

(40 citation statements)

References 62 publications

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“…These peaks have the lowest width in the spectrum of stoichiometric HAp (sample H S ). It is known [32,33,40,46,53,54] that the increased content of carbonate groups in the hydroxyapatite structure causes the broadening of all bands in its Raman spectrum, resulting in the appearance of a wide band at around 1070 cm −1 with poorly resolved shoulders. This phenomenon is represented in the spectra of the reference samples of nano-cHAp, natural tissues and biocomposites (Figure 4).…”

Section: Raman Spectroscopymentioning

confidence: 99%

“…The mode at 1018 cm −1 is also present in the spectrum of natural dentine and is typical for apatite containing divalent ions and vacancies instead of monovalent ions [39]. The broadening of the maximum at about 1070-1075 cm −1 in the spectrum of bioinspired materials is due to the overlap of two vibrational modes: the PO 4 υ 3 stretching mode and the υ 1 mode of the carbonate anion CO 3 2− included in the position of the PO 4 group (B-type substitution), which is typical for biogenic materials [32,33,40,46,53,54]. A low-intensity oscillation in the region of 1103.4 cm −1 is also found in the spectra of samples of natural enamel and dentine of humans.…”

Section: Raman Spectroscopymentioning

confidence: 99%

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Raman and XANES Spectroscopic Study of the Influence of Coordination Atomic and Molecular Environments in Biomimetic Composite Materials Integrated with Dental Tissue

et al. 2021

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In this work, for the first time, the influence of the coordination environment as well as Ca and P atomic states on biomimetic composites integrated with dental tissue was investigated. Bioinspired dental composites were synthesised based on nanocrystalline calcium carbonate-substituted hydroxyapatite Ca4ICa6IIPO46−xCO3x+yOH2−y (nano-cHAp) obtained from a biogenic source and a set of polar amino acids that modelled the organic matrix. Biomimetic composites, as well as natural dental tissue samples, were investigated using Raman spectromicroscopy and synchrotron X-ray absorption near edge structure (XANES) spectroscopy. Molecular structure and energy structure studies revealed several important features related to the different calcium atomic environments. It was shown that biomimetic composites created in order to reproduce the physicochemical properties of dental tissue provide good imitation of molecular and electron energetic properties, including the carbonate anion CO32− and the atomic Ca/P ratio in nanocrystals. The features of the molecular structure of biomimetic composites are inherited from the nano-cHAp (to a greater extent) and the amino acid cocktail used for their creation, and are caused by the ratio between the mineral and organic components, which is similar to the composition of natural enamel and dentine. In this case, violation of the nano-cHAp stoichiometry, which is the mineral basis of the natural and bioinspired composites, as well as the inclusion of different molecular groups in the nano-cHAp lattice, do not affect the coordination environment of phosphorus atoms. The differences observed in the molecular and electron energetic structures of the natural enamel and dentine and the imitation of their properties by biomimetic materials are caused by rearrangement in the local environment of the calcium atoms in the HAp crystal lattice. The surface of the nano-cHAp crystals in the natural enamel and dentine involved in the formation of bonds with the organic matrix is characterised by the coordination environment of the calcium atom, corresponding to its location in the CaI position—that is, bound through common oxygen atoms with PO4 tetrahedrons. At the same time, on the surface of nano-cHAp crystals in bioinspired dental materials, the calcium atom is characteristically located in the CaII position, bound to the hydroxyl OH group. The features detected in the atomic and molecular coordination environment in nano-cHAp play a fundamental role in recreating a biomimetic dental composite of the natural organomineral interaction in mineralised tissue and will help to find an optimal way to integrate the dental biocomposite with natural tissue.

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Section: Raman Spectroscopymentioning

confidence: 99%

Section: Raman Spectroscopymentioning

confidence: 99%

Raman and XANES Spectroscopic Study of the Influence of Coordination Atomic and Molecular Environments in Biomimetic Composite Materials Integrated with Dental Tissue

et al. 2021

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“…While it would be useful to compare the results of these measurements with other standard techniques, it appears that there are essentially no other acceptable methods to determine the mineral content of a sample of bone. Infra-red analysis (FTIR) of the ratio of PO 4 to amide [2,3] must make assumptions about the composition of the mineral phase. Likewise, the use of back-scattered electron intensity to measure the Ca fraction in a polished section of bone can determine local point-to-point variations in the apparent mineral content but cannot be converted to total mineral content since the composition of the mineral phase is not determined [2,4].…”

Section: Other Methods Of Determinationmentioning

confidence: 99%

Ashing of Bone: Errors Due to Loss of CO2 and Its Correction

Thotakura

Quenneville

Schwarcz

2021

Preprint

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Background: Ashing is widely used to determine weight fraction of water-free bone that is mineral, but no standard procedure exists and the range of techniques used spans a range of temperatures and times over which the amount of weight loss is variable. We show that variability is largely due to progressive loss of CO2 from CO3 2- ions in the apatite crystal lattice, beginning at 600⁰C, typically used for ashing. We test the effect of varying temperature, time and weight of sample and develop a reliable method, using small samples.Methods: Replicate samples of bovine cortical bone were tested at 500⁰, 600⁰ and 700⁰C for times ranging up to 24h. We also tested samples of multiple humans at what we concluded to be the optimal conditionsResults: Varying conditions of ashing resulted in variations in apparent ash weight % by up to 7%. Samples between 5 and 20 mg heated to 600⁰C for 1 h gave results agreeing with generally accepted values, but with much smaller variability. Ash wt% values for multiple human bone samples differed by up to 4.8% but replicate data for individuals agree to ± 1 wt%. Conclusions: A satisfactory method is given for ash weight determination using small samples, and yielding highly reproducible data. If accepted widely, ash weight values between laboratories could be used to study variations due to diet, age, drug treatment and disease.

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“…A região espectral entre 1000 e 1650 cm -1 foi utilizada para investigar os grupos funcionais dos fosfatos de cálcio formados sobre a superfície dos corpos de prova. A escolha dessa região foi realizada com base em estudos anteriores que indicam maior incidência de formação de bandas atribuídas aos fosfatos de cálcio (TAYLOR et al, 2021;SANTOS et al, 2018;REY et al, 2014;KOUTSOPOULOS et al, 2002). Os espectros de FTIR tiveram suas linhas de base corrigidas -com filtro Savitzky-Golay -e depois foram normalizadas e deconvoluídas, utilizando função Gaussiana (R 2 > 0,99), utilizando o software Origin 9.0.0 da OriginLab (ORIGINLAB, NORTHAMPTON, MA).…”

Section: Tratamento Superficial Dos Corpos De Prova Deunclassified

“…As bandas de absorção atribuídas à fase HAp não estequiométrica ou Sr-HAp novamente foram observadas em vibrações do tipo ν3 PO4 3entre ~1157 e 1178 cm -1 (TAYLOR et al, 2021). Bandas entre ~ 1180 e 1210 cm -1 foram observadas e atribuídas às vibrações de estiramento do grupo funcional hidrogenofosfato (ν3 HPO4 2-) (GENG et al, 2016;HORVÁTHOVÁ et al, 2008;KOUTSOPOULOS et al, 2002).…”

Section: β-Tcpunclassified

Influência do estrôncio na formação de fosfatos de cálcio sobre a superfície do nanocompósito de Al>sub<2>/sub<O>sub<3>/sub</ZrO>sub<2>/sub<

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AGRADECIMENTOSA Deus, A minha orientadora, Profa Dra. Eliria M. J. A. Pallone, minha maior incentivadora, referência no meio acadêmico, amiga, e por sempre me indicar os caminhos que devo seguir.A minha coorientadora, Profa Dra. Julieta A. Ferreira, pela parceria, torcida, amizade e pelos puxões de orelha. Sempre me incentivando e me orientando.Aos funcionários do ZEB e da secretaria do Programa de Pós Graduação da FZEA, por toda prestatividade e gentileza.

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Measures of Bone Mineral Carbonate Content and Mineral Maturity/Crystallinity for FT-IR and Raman Spectroscopic Imaging Differentially Relate to Physical–Chemical Properties of Carbonate-Substituted Hydroxyapatite

Cited by 34 publications

References 62 publications

Raman and XANES Spectroscopic Study of the Influence of Coordination Atomic and Molecular Environments in Biomimetic Composite Materials Integrated with Dental Tissue

Raman and XANES Spectroscopic Study of the Influence of Coordination Atomic and Molecular Environments in Biomimetic Composite Materials Integrated with Dental Tissue

Ashing of Bone: Errors Due to Loss of CO2 and Its Correction

Influência do estrôncio na formação de fosfatos de cálcio sobre a superfície do nanocompósito de Al>sub<2>/sub<O>sub<3>/sub</ZrO>sub<2>/sub<

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