scholarly journals Functionalization of the Parylene C Surface Enhances the Nucleation of Calcium Phosphate: Combined Experimental and Molecular Dynamics Simulations Approach

2020 ◽  
Vol 12 (11) ◽  
pp. 12426-12435
Author(s):  
Monika Golda-Cepa ◽  
Kamila Riedlová ◽  
Waldemar Kulig ◽  
Lukasz Cwiklik ◽  
Andrzej Kotarba
Keyword(s):  
Molecular Dynamics ◽  
Calcium Phosphate ◽  
Molecular Dynamics Simulations ◽  
Parylene C ◽  
Dynamics Simulations

scholarly journals Detection of Posner's clusters during calcium phosphate nucleation: a molecular dynamics study

2017 ◽  
Vol 5 (35) ◽  
pp. 7274-7284 ◽  
Author(s):  
Giulia Mancardi ◽  
Carlos Ernesto Hernandez Tamargo ◽  
Devis Di Tommaso ◽  
Nora H. de Leeuw
Keyword(s):  
Molecular Dynamics ◽  
Calcium Phosphate ◽  
Molecular Dynamics Simulations ◽  
Aggregation Process ◽  
Phosphate Ions ◽  
Dynamics Simulations

Molecular dynamics simulations of calcium and phosphate ions in water show that Posner-like clusters originate during the aggregation process.

scholarly journals Interaction of stable aggregates drives the precipitation of calcium phosphate in supersaturated solutions

CrystEngComm ◽  
2019 ◽  
Vol 21 (42) ◽  
pp. 6354-6364 ◽  
Author(s):  
R. Innocenti Malini ◽  
C. L. Freeman ◽  
J. H. Harding
Keyword(s):  
Molecular Dynamics ◽  
Calcium Phosphate ◽  
Molecular Dynamics Simulations ◽  
Amorphous Calcium Phosphate ◽  
Calcium Phosphate Nanoparticles ◽  
Dynamics Simulations ◽  
First Time ◽  
Supersaturated Solutions

Using molecular dynamics simulations, we show for the first time that calcium phosphate nanoparticles of eight formula units are thermodynamically stable and could be key in the nucleation of amorphous calcium phosphate.

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