Ab initio modeling of protein/biomaterial interactions: competitive adsorption between glycine and water onto hydroxyapatite surfaces

Phys Chem Chem Phys. 2009 Oct 28;11(40):9005-7. doi: 10.1039/b913311a. Epub 2009 Aug 24.

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

  • Adsorption
  • Binding, Competitive
  • Biocompatible Materials / chemistry*
  • Biocompatible Materials / metabolism
  • Durapatite / chemistry*
  • Durapatite / metabolism
  • Gases / chemistry
  • Glycine / chemistry*
  • Glycine / metabolism
  • Models, Molecular*
  • Molecular Conformation
  • Protein Binding
  • Proteins / chemistry*
  • Proteins / metabolism
  • Quantum Theory*
  • Surface Properties
  • Thermodynamics
  • Water / chemistry*
  • Water / metabolism

Substances

  • Biocompatible Materials
  • Gases
  • Proteins
  • Water
  • Durapatite
  • Glycine