The role of hydroxyl channel in defining selected physicochemical peculiarities exhibited by hydroxyapatite

V Uskoković - RSC advances, 2015 - pubs.rsc.org
Mysteries surrounding the most important mineral for vertebrate biology, hydroxyapatite, are
many. Perhaps the Greek root of its name, απαταo, meaning 'to deceive'and given to its …

A mineralogical perspective on the apatite in bone

B Wopenka, JD Pasteris - Materials Science and Engineering: C, 2005 - Elsevier
A crystalline solid that is a special form of the mineral apatite dominates the composite
material bone. A mineral represents the intimate linkage of a three-dimensional atomic …

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 …

Lack of OH in nanocrystalline apatite as a function of degree of atomic order: implications for bone and biomaterials

JD Pasteris, B Wopenka, JJ Freeman, K Rogers… - Biomaterials, 2004 - Elsevier
Using laser Raman microprobe spectroscopy, we have characterized the degree of
hydroxylation and the state of atomic order of several natural and synthetic calcium …

Molecular dynamics simulation of hydroxyapatite–polyacrylic acid interfaces

R Bhowmik, KS Katti, D Katti - Polymer, 2007 - Elsevier
Polymer–hydroxyapatite (HAP) composites are widely studied as potential bone
replacement materials. The HAP–polymer interfacial molecular interactions have significant …

Structure and stability of hydroxyapatite: Density functional calculation and Rietveld analysis

D Haverty, SAM Tofail, KT Stanton… - Physical Review B …, 2005 - APS
A study on the structure and energetics of hydroxyapatite has been carried out using
generalized gradient approximation density functional theory. The previously proposed P 6 …

Computer simulation of stoichiometric hydroxyapatite: Structure and substitutions

NY Mostafa, PW Brown - Journal of Physics and Chemistry of Solids, 2007 - Elsevier
A force field for the modeling of hydroxyapatite; Ca10 (PO4) 6OH2 (HAP) is established
based upon transferable potentials. Ca–O, P–O and O–O potentials were transported from …

Nanoscale variation in surface charge of synthetic hydroxyapatite detected by chemically and spatially specific high-resolution force spectroscopy

J Vandiver, D Dean, N Patel, W Bonfield, C Ortiz - Biomaterials, 2005 - Elsevier
The normal intersurface forces between nanosized probe tips functionalized with COO−-and
NH3+-terminated alkanethiol self-assembling monolayers and dense polycrystalline phase …

Thermally activated avalanches: Jamming and the progression of needle domains

EKH Salje, X Ding, Z Zhao, T Lookman… - Physical Review B …, 2011 - APS
Large-scale computer simulations of a simple model with a square-lattice topology, a small
shear deformation (4° shear angle), and open (free) boundary conditions show that domain …

A computer modelling study of the effect of water on the surface structure and morphology of fluorapatite: introducing a Ca 10 (PO 4) 6 F 2 potential model

D Mkhonto, NH de Leeuw - Journal of Materials Chemistry, 2002 - pubs.rsc.org
We have derived a potential model for fluorapatite Ca10 (PO4) 6F2, fitted to structure, elastic
constants and vibrational frequencies of the phosphate groups, which is compatible with …