Mechanism of Degradation for Biocompatible Materials (3) : Virtual X-ray Scattering Models & Quantum Scattering Method

Abstract

We performed to analyze degeneration mechanisms of medical histocompatible materials with using small angle X-ray diffraction method. The most important problem is why we cannot prevent biomaterials from dystrophic calcification. In order to investigate the causes of degeneration of biomaterials in the view of the molecular theories, we developed the quantum scattering distribution method (QSD) and virtual polyurethane method (VPU) from molecular mechanics, molecular dynamics and quantum mechanics. Finally, we knew that Silicon (Si) included in the silan coupling agent (siloxane) have so large negative atomic charges that they are attracting many kinds of protein and dystrophic calcium. Moreover, we succeeded to reproduce results of the small X-ray diffractions when we simulated virtual X-ray diffraction experiments by VPU and QSD. And those numerical methods supported that the scaling law being proposed in the fractal analysis of small X-ray diffractions gives us certainly correct relation between momentum transfer and electron densities.