Surface Structure of Hydroxyapatite from Simulated Annealing Molecular Dynamics Simulations.

No abstract is available for this paper.

• Publication year

  2016

• Venue

  Langmuir

• Publication date

  2016-04-26

• Fields of study

  Medicine, Materials Science

• Identifiers
  DOI 10.1021/acs.langmuir.5b04667PMID 27096760
• External record

  Open on Semantic Scholar

• Source metadata

  Semantic Scholar, PubMed

• No claims are published for this paper.

• No concepts are published for this paper.

• Discrimination of Surface and Bulk Structure of Crystalline Hydroxyapatite Nanoparticles by NMR

  2015cited by this paper
• Computer simulation of biomolecule–biomaterial interactions at surfaces and interfaces

  2015cited by this paper
• DNA adsorbed on hydroxyapatite surfaces.

  2014cited by this paper
• Molecular dynamics simulations reveal a dielectric-responsive coronal structure in protein-polymer surfactant hybrid nanoconstructs.

  2014cited by this paper
• Nanoscale surface characterization of biphasic calcium phosphate, with comparisons to calcium hydroxyapatite and β-tricalcium phosphate bioceramics.

  2014cited by this paper
• Molecular dynamics simulations of gas selectivity in amorphous porous molecular solids.

  2013cited by this paper
• Comparative studies on ectopic bone formation in porous hydroxyapatite scaffolds with complementary pore structures.

  2013cited by this paper
• First principles study of hydroxyapatite surface.

  2013cited by this paper
• Sintering behavior of hydroxyapatite prepared from different routes

  2012cited by this paper
• Thickness of hydroxyapatite nanocrystal controls mechanical properties of the collagen-hydroxyapatite interface.

  2012cited by this paper
• Recent advances in bone tissue engineering scaffolds.

  2012cited by this paper
• First-principles study of the adsorption of lysine on hydroxyapatite (1 0 0) surface

  2012cited by this paper
• A review of protein adsorption on bioceramics

  2012cited by this paper
• Molecular Dynamics Simulation of the Early Stages of Nucleation of Hydroxyapatite at a Collagen Template

  2012cited by this paper
• SURFACE CHEMISTRY INFLUENCE IMPLANT BIOCOMPATIBILITY

  2011cited by this paper
• ISAACS – interactive structure analysis of amorphous and crystalline systems

  2010cited by this paper
• Computer simulations of structures and properties of the biomaterial hydroxyapatite

  2010cited by this paper
• Density functional theory study of the binding of glycine, proline, and hydroxyproline to the hydroxyapatite (0001) and (0110) surfaces.

  2009cited by this paper
• Water adsorption on the stoichiometric (001) and (010) surfaces of hydroxyapatite: a periodic B3LYP study.

  2009cited by this paper
• Atomic force microscopy reveals hydroxyapatite-citrate interfacial structure at the atomic level.

  2008cited by this paper
• Molecular simulation of protein adsorption and desorption on hydroxyapatite surfaces.

  2008cited by this paper
• Probing the surface structure of hydroxyapatite using NMR spectroscopy and first principles calculations.

  2008cited by this paper
• Aqueous microgels for the growth of hydroxyapatite nanocrystals.

  2008cited by this paper
• Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces.

  2008cited by this paper
• Structural characterization of sol–gel derived Sr-substituted calcium phosphates with anti-osteoporotic and anti-inflammatory properties

  2008cited by this paper
• Surface chemistry influences implant biocompatibility.

  2008cited by this paper
• Molecular dynamics simulation of hydroxyapatite : polyacrylic acid interfaces

  2007cited by this paper
• Adsorption processes of Gly and Glu amino acids on hydroxyapatite surfaces at the atomic level.

  2007cited by this paper
• Accepted Manuscript

  2007cited by this paper
• Understanding adsorption-desorption dynamics of BMP-2 on hydroxyapatite (001) surface.

  2007cited by this paper
• Adsorption mechanism of BMP-7 on hydroxyapatite (001) surfaces.

  2007cited by this paper
• Hydroxyapatite grown on a native extracellular matrix: initial interactions with human fibroblasts.

  2007cited by this paper
• Surface structure, hydration, and cationic sites of nanohydroxyapatite: UHR-TEM, IR, and microgravimetric studies

  2007cited by this paper
• Mineralization of hydroxyapatite in electrospun nanofibrous poly(L-lactic acid) scaffolds.

  2006cited by this paper
• A solid‐state NMR investigation of the structure of nanocrystalline hydroxyapatite

  2006cited by this paper
• Computer simulations of the adsorption of citric acid at hydroxyapatite surfaces

  2006cited by this paper
• Atomistic Simulation Study of the Order/Disorder (Monoclinic to Hexagonal) Phase Transition of Hydroxyapatite

  2005cited by this paper
• FTIR and XRD investigations on the thermal stability of hydroxyapatite during hot pressing and pressureless sintering processes

  2005cited by this paper
• Molecular dynamics study of the binary Cu_(46)Zr_(54) metallic glass motivated by experiments: Glass formation and atomic-level structure

  2005cited by this paper
• Plasma-sprayed hydroxyapatite+titania composite bond coat for hydroxyapatite coating on titanium substrate.

  2004cited by this paper
• Atomic-Scale {101¯0} Interfacial Structure in Hydroxyapatite Determined by High-Resolution Transmission Electron Microscopy

  2004cited by this paper
• Surface energetics of hydroxyapatite: a DFT study

  2004cited by this paper
• Potential energy function for apatites

  2003cited by this paper
• Growth of osteoblast-like cells on porous hydroxyapatite ceramics: an in vitro study.

  2002cited by this paper
• Physico-chemical properties of crystal surfaces in matrix–mineral interactions during mammalian biomineralisation

  2002cited by this paper
• Enhanced osteobonding by negative surface charges of electrically polarized hydroxyapatite.

  2001cited by this paper
• Surface characterization of hydroxyapatite and related calcium phosphates by XPS and TOF-SIMS.

  2000cited by this paper
• Surface relaxations in hydroxyapatite

  2000cited by this paper
• Surface characterization of biocompatible hydroxyapatite coatings

  2000cited by this paper
• Bioactive ceramics: the effect of surface reactivity on bone formation and bone cell function.

  1999cited by this paper
• Structure and electronic properties of amorphous indium phosphide from first principles

  1998cited by this paper
• Cooling-rate effects in amorphous silica: A computer-simulation study.

  1996cited by this paper
• Fast parallel algorithms for short-range molecular dynamics

  1993cited by this paper
• Acidic phosphoproteins from bone matrix: A structural rationalization of their role in biomineralization

  1992cited by this paper
• Interaction potential for SiO2: A molecular-dynamics study of structural correlations.

  1990cited by this paper
• A unified formulation of the constant temperature molecular dynamics methods

  1984cited by this paper
• Optimization by Simulated Annealing

  1983cited by this paper
• Interionic forces and ionic polarization in alkaline earth halide crystals

  1974cited by this paper
• Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

  1967cited by this paper
• Ionic sizes and born repulsive parameters in the NaCl-type alkali halides—I: The Huggins-Mayer and Pauling forms

  1964cited by this paper
• Crystal Structure of Hydroxyapatite

  1964cited by this paper
• Ionic sizes and born repulsive parameters in the NaCl-type alkali halides—II: The generalized Huggins-Mayer form☆

  1964cited by this paper

• Multiscale Effect of Carboxyl Modification on the Mechanical Properties of Palm Oil-Based Elastomers Studied by Molecular Dynamics Simulation.

  2025cites this paper
• Complexation and Thermal Stabilization of Protein–Polyelectrolyte Systems via Experiments and Molecular Simulations: The Poly(acrylic acid)/Lysozyme Case

  2025cites this paper
• Innovative strategy of turning waste into treasure: high-efficiency adsorption of heavy metals pollutants by modified amorphous calcium phosphate prepared with phosphogypsum waste

  2024cites this paper
• Molecular dynamics exploration of ion association mechanism of apatite controlled by a nanogrooved hydroxyapatite surface

  2023cites this paper
• Investigating the Hydroxyl Reorientation in Hydroxyapatite Using Machine Learning Potentials

  2023cites this paper
• Separation of Propylene/Propane Using IL/Silver ion Facilitated Transport: Insights from Computational Molecular Approach

  2022cites this paper
• Molecular Dynamics Simulation of Biomimetic Biphasic Calcium Phosphate Nanoparticles.

  2022cites this paper
• Impact of physicochemical changes in milk ultrafiltration permeate concentrated by reverse osmosis on calcium phosphate precipitation

  2022cites this paper
• Design Strategies for Hydroxyapatite‐Based Materials to Enhance Their Catalytic Performance and Applicability

  2022cites this paper
• Metaheuristic algorithms for PID controller parameters tuning: review, approaches and open problems

  2022cites this paper
• Surface chemistry of hydroxyapatite for sustainable n-butanol production from bio-ethanol

  2021cites this paper
• Molecular Dynamics Exploration of the Growth Mechanism of Hydroxyapatite Nanoparticles Regulated by Glutamic Acid.

  2021cites this paper
• A Comparative Study on Factors Governing Binding Mechanisms in Polylactic Acid-Hydroxyapatite and Polyethylene-Hydroxyapatite Systems via Molecular Dynamics Simulations.

  2020cites this paper
• Ab initio calculations and a scratch test study of RF-magnetron sputter deposited hydroxyapatite and silicon-containing hydroxyapatite coatings

  2020cites this paper
• Molecular Dynamics Characterization of Sr-Doped Biomimetic Hydroxyapatite Nanoparticles

  2020cites this paper
• Probing the surface activity of hydroxyapatite nanoparticles through their interaction with water molecules

  2020cites this paper
• Molecular dynamics exploration of the amorphous surface structures and properties of the biomimetic β-tricalcium phosphate

  2019cites this paper
• Strengthening Adhesion of the Hydroxyapatite and Titanium Interface by Substituting Silver and Zinc: A First Principles Investigation

  2018cites this paper
• A comparative study of the dissolubility of pure and silicon substituted hydroxyapatite from density functional theory calculations

  2018cites this paper
• First-principles study on the hydroxyl migration from inner to surface in hydroxyapatite

  2018cites this paper
• Nanotechnologies in preventive and regenerative medicine: Quo Vadis, Domine?

  2018cites this paper
• One-step formation of a double Pickering emulsion via modulation of the oil phase composition.

  2018cites this paper
• Properties and Reactivity toward Water of A Type Carbonated Apatite and Hydroxyapatite Surfaces

  2018cites this paper
• Investigation of novel hydroxyapatite-doped CaO material for calcination-carbonation thermochemical energy storage

  2018cites this paper
• Molecular Modelling of Peptide-Based Materials for Biomedical Applications.

  2017cites this paper
• Adaptive simulated annealing particle swarm optimization for catalyst protected region parameter identification

  2017cites this paper
• Density Functional Theory Study of Interface Interactions in Hydroxyapatite/Rutile Composites for Biomedical Applications

  2017cites this paper
• Molecular dynamics simulation and experimental validation by X-ray data of hydroxyapatite crystalline structures

  2017cites this paper
• pH switchable Pickering emulsion based on soy peptides functionalized calcium phosphate particles

  2017cites this paper
• Computer simulation of proteins adsorption on hydroxyapatite surfaces with calcium phosphate ions

  2017cites this paper
• Hydroxyl migration disorders the surface structure of hydroxyapatite nanoparticles

  2017cites this paper