About this Abstract |
| Meeting |
2027 TMS Annual Meeting & Exhibition
|
| Symposium
|
Biological Materials Science
|
| Presentation Title |
Nanoscale Metallic Material Surface Structure Design towards a Desired Protein Adhesion |
| Author(s) |
Zofia Wang, Audrey Zhang, Liming Xiong |
| On-Site Speaker (Planned) |
Zofia Wang |
| Abstract Scope |
This talk presents atomic-level computational design of the metallic substrate surface microstructure towards a controllable and desirable protein adhesion on it, utilizing molecular dynamic (MD) simulations. Taking egg white protein and its docking to an iron substrate as an example, we constructed full-atom MD models to simulate: (1) the procedure of protein docking on the substrate; (2) its detaching from a substrate along the direction perpendicular and parallel to its surface. We first identified the functional group in the protein molecule which gives rise to the strongest adhesion between the protein and substrate. Then we introduce nanoscale patterning into the substrate microstructure and measure how the adhesion changes at different surface patterns. A correlation between the adhesion and nanoscale microstructure is established for the first time. This knowledge may be used to support the design of surface structures towards a desired adhesion performance when used in metal-protein systems. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Iron and Steel, Modeling and Simulation, Biomaterials |