Alternative methods of processing bio-feedstocks in formulated consumer product design

Abstract

In this work new methods of processing bio-feedstocks in the formulated consumer products industry are discussed. Our current approach to formulated products design is based on heuristic knowledge of formulators that allows selecting individual compounds from a library of available materials with known properties. We speculate that most of the compounds (or functions) that make up the product to be designed can potentially be obtained from a few bio-sources. In this case, it may be possible to design a sequence of transformations required to convert feedstocks into products with desired properties, analogous to a metabolic pathway of a complex organism. We conceptualize some novel approaches to processing bio-feedstocks with the aim of bypassing the step of a fixed library of ingredients. Two approaches are brought forward: one making use of knowledge-based expert systems and the other making use of applications of metabolic engineering and dynamic combinatorial chemistry.

Automation of route identification and optimisation based on data-mining and chemical intuition

“…20 Similarly, the idea of linking data-mining with expert systems in combination with evolutionary algorithms has been proposed by some of us earlier. 21 In this paper we present our initial approach to automating the assembly of possible reaction pathways for the situation where a series of synthetic steps are used to convert a known bio-based feedstock into a commercially valuable product. The selected case study is the multi-step synthesis of paracetamol from limonene, with the process simulated for the hypothetical route shown in Scheme 1, the details of which are discussed in detail in the paper.…”