Chemical interaction between hydroxyapatite and organic molecules in biomaterials

K. Tsuchiya, T. Yoshioka, T. Ikoma, J. Tanaka

Research output: Chapter in Book/Report/Conference proceedingConference contribution

3 Citations (Scopus)

Abstract

In this study, we tried to elucidate chemical interactions between hydroxyapatite and organic molecules using an ab initio calculation method, i.e. discrete variational Xamethod. Two cluster models were investigated. One cluster model consisted of hydroxyapatite and methyl acetate; the later corresponds to a simplified molecule of poly-L-lactide that is a typical biodegradable material. Another cluster is the model of hydroxyapatite and glycine that is the simplest molecule in 20 amino acids. Although the glycine molecule has three types of ionization states, two types of interface models, cation model and zwitter ion model were adopted. An overlap population between a Ca ion of hydroxyapatite and COO" in glycine was larger than that between a Ca ion of hydroxyapatite and CO in methyl acetate. Further, in the case of the hydroxyapatite/glycine model, the zwitter ion model had larger chemical interaction than that of the cation model.

Original languageEnglish
Title of host publicationCeramic Materials and Components for Energy and Environmental Applications - 9th Int. Symp. on Ceramic Materials for Energy and Environmental Applications and the 4th Laser Ceramics Symp.
Pages531-535
Number of pages5
Publication statusPublished - May 21 2010
Externally publishedYes
EventCeramic Materials and Components for Energy and Environmental Applications - 9th International Symposium on Ceramic Materials for Energy and Environmental Applications and the 4th Laser Ceramics Symposium - Shanghai, China
Duration: Nov 10 2008Nov 14 2008

Publication series

NameCeramic Transactions
Volume210
ISSN (Print)1042-1122

Other

OtherCeramic Materials and Components for Energy and Environmental Applications - 9th International Symposium on Ceramic Materials for Energy and Environmental Applications and the 4th Laser Ceramics Symposium
CountryChina
CityShanghai
Period11/10/0811/14/08

ASJC Scopus subject areas

  • Ceramics and Composites
  • Materials Chemistry

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  • Cite this

    Tsuchiya, K., Yoshioka, T., Ikoma, T., & Tanaka, J. (2010). Chemical interaction between hydroxyapatite and organic molecules in biomaterials. In Ceramic Materials and Components for Energy and Environmental Applications - 9th Int. Symp. on Ceramic Materials for Energy and Environmental Applications and the 4th Laser Ceramics Symp. (pp. 531-535). (Ceramic Transactions; Vol. 210).