Calcium carbonate and calcium phosphate are the most important biomineralisation systems but the processes of nucleation and growth of the  crystals are still not fully understood. Many nucleation and growth mechanisms beyond classical nucleation models have been proposed, including the formation of stable clusters before nucleation and the emergence of dense liquids (mainly for carbonate), which are stabilised in the presence of organic polymers. An amorphous phase is known to precede both crystalline carbonate and phosphate phases. It is also known that both inorganic and organic additives can affect the crystallisation process, the polymorphs formed, and the physical properties of the resulting materials. Proteins can directly influence the growth of mineral phases, controlling both the crystal structure and assembly of biominerals.<br/><br/>The control of crystallisation, and with it the prospect of designing molecules or conditions to achieve specific results is a grand challenge. This talk shall discuss how simulation can address two aspects of this challenge. First, we shall consider solution chemistry and the effects of organic molecules on the stages of mineral growth. Our results suggest that biomolecules can regulate many aspects of crystal growth, changing the stability of crystal precursor phases. Second, we shall consider the effect of the interfaces involved, both the aqueous interface itself and the interfaces between organic systems and minerals. Such interfaces can exercise control from either side. Soft matter in the form of molecules, arrays or scaffolds can control the nucleation and growth of crystals. Equally, the presence of a hard surface can affect the shape and reactivity of molecules. The talk will conclude with a brief summary of the problems that remain to be solved.

Understanding the mechanisms of biomineralisation: a grand challenge

255th National Meeting (2018)

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