骨伝導メカニズムの解明

石井知彦, 工藤大輔, 莨谷新吾, 田中順三, 生駒俊之, 坂根弦太, 小和田善之, 小笠原一禎

ハイドロキシアパタイト
We investigated the electronic structures of the hydroxyapatite-based cluster models by means of DV-Xα molecular orbital calculation. The c-axis osteoconductive activity is connected to the c-axis anisotropic character of the wavefunction caused by the strong interatomic metallic bonding between two nearest Ca1 atoms along to the c-axis. For discussing the bond conformation with the biogenic functional group around the surface boundary of the hydroxyapatite, the analysis with the parameter of the bond overlap population is required between the calcium atom and the carboxyl group. The 3D visualizations of the wave functions along to the c-axis by means of VESTA have been drown in order to clarify the mechanism of the c-axis osteoconductive activity. Therefore the design strategy of the biomaterial having the c-axis osteoconductive activity can be obtained by discussing the creation of the way to connecting of the wavefunction along to the anisotropic direction.

Bulletin of the Society for Discrete Variational Xα

The Society for Discrete Variational Xα

20

1&2

74

78