Modeling the calcium and phosphate mineralization of American lobster cuticle

Abstract

Bottom-up modeling of American lobster (Homarus americanus) cuticle explains architecture and function ab initio, from first principles, starting with synthesis of component polymers and progressively building composite structure that should explain observed properties. A top-down perspective decomposes the lobster cuticle starting at the top level of structural complexity and function aiming to descend to the finest detail. Both approaches aim to ultimately model the same cuticle structure. Current bottom-up models of the cuticle do not succeed in explaining key structural and functional detail identified by top-down approaches. Top-down identified structures and associated functions are valuable as bases for potential vulnerabilities to microbial attack. An immediate objective is to inform the bottom-up approach of top-down identified model components critical to cuticle function. Top-down features include detail of protein expression and mineral heterogeneity and their function in observed structures. This function-directed approach provides a better understanding of the distribution and roles of minerals in relation to their immediate cuticle environment. The top-down identified features can hopefully be included in ab initio models to improve our understanding of cuticle design.