Abstract
Both glycine and water exhibit a high affinity towards the hydroxyapatite HA surfaces. What happens when they are co-adsorbed at the HA (001) surface? B3LYP periodic calculations reveal that glycine displaces the pre-adsorbed water interacting directly with the HA surface.
MeSH terms
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Adsorption
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Binding, Competitive
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Biocompatible Materials / chemistry*
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Biocompatible Materials / metabolism
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Durapatite / chemistry*
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Durapatite / metabolism
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Gases / chemistry
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Glycine / chemistry*
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Glycine / metabolism
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Models, Molecular*
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Molecular Conformation
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Protein Binding
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Proteins / chemistry*
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Proteins / metabolism
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Quantum Theory*
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Surface Properties
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Thermodynamics
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Water / chemistry*
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Water / metabolism
Substances
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Biocompatible Materials
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Gases
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Proteins
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Water
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Durapatite
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Glycine