Degradation of Natural Molecules on Mineral Surfaces

Molecular binding at material interfaces is vitally important within a range of contexts. When a molecule has bound to a surface its structure and that structure of the local solvent can be very different to that in solution which can change its functionality and reactivity. In biology deamidisation and hydrolysis are two very common processes to break up peptides and both dependent on water molecules; therefore understanding the behaviour of the solvent molecules is equally important as that of the biologically active binding molecule. These decay processes are very important in a range of scientific fields including archaeology, palaeontology and surface fouling. Peptides extracted from archaeological digs can be used to indicate the diet and patterns of early humans, while DNA and proteins can be used to provide information on evolution in the fossil record.<br/><br/>We present a combined molecular dynamics and atomic force microscopy study on the binding of biological relevant molecules to calcite mineral surfaces. Out study examines and identifies the key factors involved in the binding of these molecules to the surfaces. We then explore the structural changes in these molecules and how this exposes/shields them from reactive processes that could lead to their decay. Finally we examine the behaviour of the other reactant species (solvent) and determine the role of the surface in enhancing or hindering their contribution to degradation reactions [1]. With this information we are able to comment on recent experimental findings and the potential preservation of different biological molecules.<br/><br/>[1] Chemical Physcs 561 (2022) 111602