Modelling the structure and properties of natural bone

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This proposal will pioneer a new and exciting field in biomaterials chemistry and tissue engineering by exploiting new developments in computational materials science in order to achieve fundamental, quantitative understanding of the structure and properties of natural bone. Natural bone material is a highly hierarchical protein-mineral composite, containing nano-sized mineral platelets (predominantly calcium phosphates), a protein matrix (predominantly collagen) and water. Although the mineral phase and the (wet) protein have very different properties - the mineral is stiff and brittle, while the protein is much softer and tougher - the composite combines the optimal properties of both components: the stiffness and the toughness. This unusual combination of material properties provides both rigidity and resistance against fracture, and an in-depth understanding of the underlying interfacial structures and properties would clearly help in the design of better composite materials.The project will investigate at the atomic scale the interaction of the collagen protein with the phosphate mineral, which as the major constituent of natural bone tissue is an important component of various classes of composite bio-materials for bio-medical applications - hence an important issue in current bio-materials and life sciences research as well as being relevant to tissue engineering and medical implant technologies. The project will concentrate particularly on the molecular interaction of the collagen with surface features of the phosphate material and the templating role of the collagen in the apatite nucleation and growth process. The outcome of the project will thus be a qualitative and quantitative understanding of the role of the protein and mineral phases in determining the properties of the composite bone material.