Model visualization for evaluation of biocatalytic processes

Biocatalysis offers great potential as an additional, and in some cases as an alternative, synthetic tool for organic chemists, especially as a route to introduce chirality. However, the implementation of scalable biocatalytic processes nearly always requires the introduction of process and/or biocatalyst enhancements to ensure effective scale-up. This paper describes a paradigm for the purpose of evaluating biocatalytic processes in order to provide guidance on process and biocatalyst modification. The paradigm is illustrated with the biocatalytic synthesis of S,S-ethylenediaminedisuccinic acid (S,S-EDDS), a biodegradable chelant, and is characterised by the use of model visualization using `windows of operation".