Hydroxylapatite and related minerals in bone and dental tissues: structural, spectroscopic and mechanical properties from a computational perspective

G Ulian, D Moro, G Valdrè - Biomolecules, 2021 - mdpi.com
Hard tissues (eg, bone, enamel, dentin) in vertebrates perform various and different
functions, from sustaining the body to haematopoiesis. Such complex and hierarchal tissue …

[PDF][PDF] The carbonate ion in hydroxyapatite: recent X-ray and infrared results

ME Fleet - Front Biosci (Elite Ed), 2013 - article.imrpress.com
[Frontiers in Bioscience, Elite, 5, 643-652, January 1, 2013] 643 The carbonate ion in
hydroxyapatite: Recent X-ray and infrared Page 1 [Frontiers in Bioscience, Elite, 5, 643-652 …

Carbonate substitution significantly affects the structure and mechanics of carbonated apatites

B Wingender, M Azuma, C Krywka, P Zaslansky… - Acta biomaterialia, 2021 - Elsevier
Bone mineral comprises nanoparticles of carbonate-substituted bioapatite similar to
hydroxylapatite. Yet mechanical values of macroscopic-sized geological hydroxylapatite are …

Infrared spectra of carbonate apatites: Evidence for a connection between bone mineral and body fluids

ME Fleet - American Mineralogist, 2017 - degruyter.com
The complex asymmetric stretch (ν 3) region infrared (IR) spectrum of synthetic sodium-and
carbonate-bearing hydroxylapatites (CHAP) has been interpreted using overlapped …

X-ray diffraction and in situ pressurization of dentine apatite reveals nanocrystal modulus stiffening upon carbonate removal

JB Forien, J Uzuhashi, T Ohkubo, K Hono, L Luo… - Acta Biomaterialia, 2021 - Elsevier
Bone-like materials comprise carbonated-hydroxyapatite nanocrystals (c-Ap) embedding a
fibrillar collagen matrix. The mineral particles stiffen the nanocomposite by tight attachment …

Thermodynamic, elastic, and vibrational (IR/Raman) behavior of mixed type-AB carbonated hydroxylapatite by density functional theory

G Ulian, D Moro, G Valdrè - American Mineralogist, 2021 - degruyter.com
The present investigation reports the equation of state, thermodynamic, and thermoelastic
properties of type AB carbonated apatite [CAp-AB, Ca10 (CO3) B (PO4) 5 (CO3) A, space …

Some thermodynamic properties of larnite (β-Ca2SiO4) constrained by high T/P experiment and/or theoretical simulation

Z Xiong, X Liu, SR Shieh, S Wang, L Chang, J Tang… - 2016 - degruyter.com
Abstract Pure larnite (β-Ca2SiO4; Lrn) was synthesized at 6 GPa and 1473 K for 6 h by
using a cubic press, its thermal expansivity was investigated up to 923 K by using an X-ray …

First principle investigation of the thermomechanical properties of type A carbonated apatite

G Ulian, G Valdrè - International Journal of Quantum Chemistry, 2020 - Wiley Online Library
Calcium apatites with the general chemical formula (Ca, X) 10 (PO4, Y) 6Z2 represent a
mineral family of utmost importance in several fields, for example, bone biology …

Compressibility of carbonophosphate bradleyite Na3Mg(CO3)(PO4) by X-ray diffraction and Raman spectroscopy

J Gao, W Huang, X Wu, D Fan, Z Wu, D Xia… - Physics and Chemistry of …, 2015 - Springer
Abstract Bradleyite Na 3 Mg (CO 3)(PO 4) is one typical carbonophosphate, representing
dual properties of both carbonates and phosphates. Compressibility of bradleyite has been …

Barometric constraints based on apatite inclusions in garnet

KT Ashley, DW Barkoff, M Steele-MacInnis - American Mineralogist, 2017 - degruyter.com
Compiled volumetric data for fluor-, chlor-, and hydroxyl-apatite has been fitted to a pressure-
volume-temperature (PVT) equation of state for volume calculation at elevated P and T. The …