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Mechanism Study of Micro-Nano Morphology on Titanium Biological Material Surface Impacting Cells Adsorption

Author: DongWenMan
Tutor: LiDan;ChenMingJun
School: Harbin Institute of Technology
Course: Mechanical Manufacturing and Automation
Keywords: Titanium medical biomaterial Molecular dynamics simulation Cell adhesion RGD peptide chain
CLC: R318.0
Type: Master's thesis
Year: 2008
Downloads: 60
Quote: 0
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The adhesion of cells to medical biomaterials plays an important role in the process of replacing the injuried tissues and organs, or enhancing their functions. In the past decades, the research on the combination between cells and implants has made a rapid progress, but we still lack the ability to give an insight into the mechanism and microscopic process of cells adhering to the biomaterials. Furthermore, the ideal surface condition of implant materials adhered to cells still can not be predicted accurately, as well as the effect of surface characteristics, i.e. surface defects, roughness and cavities, on cell adhesion. However these surface characteristics play a very important role in getting an effective combination between cells and implants, obtaining satisfactory biocompatibility and bond strength, and so on.Molecular dynamics (MD) simulation is a powerful method to study surface phenomenons, such as surface adsorption. All atom sites can be gained in MD simulation, so that we can study adsorption mechanism and dynamics in molecular level.According to the combination theory of cells and implants, this research subject established an adsorption model of the cell adsorption peptide-RGD belonging to cell adhersive proteins on the TiO2 layer of the titanium medical biomaterial surface to improve the performance of this most widely used medical biomaterials by means of Molecular dynamics. The simulation speed was raised remarkably through adopting an algorithmic method of PPPM long-range force and grouping properly the atoms in the primitive cell of simulation. Then the model became more perfect after adding the action environment of hydrone. The simulation results which could be verified by the adsorption experiments of the RGD peptide chain on the titanium material surface, provided experimental guidance for surface modification of titanium biomaterials, and gave some reasonable explanations for cell adherence experiments.The results of molecular dynamics indicated that the corresponding TiO2 atoms adsorbed the RGD multi-peptide chains at specified adsorption sites in adsorption process, with the configuration constantly changing. If there were some defects exsiting on the surface, surface adsorption energy and adsorption speed would increase obviously, the possible reason for which was that three coordinate Ti ions and four coordinate Ti ions were exposed as a result of defects’ridges or peripheries so that the adsorption effect of RGD multi-peptide chain would be improved. Varisized surface defects produced clearly different adsorption effects, implying that surface defects had a great influence on the adsorption process. This research subject completed a preliminary study on the effect of grooves with different sizes and roughness degree of mesh cavities on the entire surface on the adsorption.

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