Evolvable Process Design (EPD)

Lead Research Organisation: University of Glasgow
Department Name: School of Chemistry

Abstract

The aim of this research lies in the design and manufacture of an Evolvable Process Design (EPD) reactor platform such that 'evolved' chemical reactions can be investigated for the first time. This will be achieved by developing a novel engineering approach to the design and construction of a chemical reactor system that combines three crucial elements: (1) a chemical process system, (2) a feedback / GA-managed control system, and (3) chemical building blocks that can reversibly bind together. The development of this system will allow the selection of a chemical system that has the correct properties to allow evolution (i.e. ability to mate, produce off- spring, and live or die depending on the fitness landscape applied to the system). By combining these key three elements the EPD-system aims to utilise feedback and selection mechanisms based on spectroscopic properties of the system / molecules / materials being evolved. These reactors will be designed to examine chemical evolution, the proof of principle that this approach is viable and then the eventual extension to three key example areas including drug design, catalysis discovery and new materials discovery. This approach is of great relevance to the process industries since, by adopting an evolvable approach to the new molecules/material once the system identifies the route to climb the fitness landscape, the optimal process will be discovered at the same time. In other words, once you have your product you have your process . This will result in an order of magnitude change in the time-to-market of new products. The system will be designed to be intrinsically scaleable and continuous, meaning that scale of production will not be an issue. In addition to the process industries, reactor-based chemical evolution, has the potential to initiate a career study to simulate, or re-create, the fundamental chemical processes that are related to the emergence of life and complexity in chemistry.

Publications

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Baker ML (2012) A classification of spin frustration in molecular magnets from a physical study of large odd-numbered-metal, odd electron rings. in Proceedings of the National Academy of Sciences of the United States of America

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Barge LM (2015) From Chemical Gardens to Chemobrionics. in Chemical reviews

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Belowich ME (2012) Positive cooperativity in the template-directed synthesis of monodisperse macromolecules. in Journal of the American Chemical Society

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Cooper GJT (2017) Miller-Urey Spark-Discharge Experiments in the Deuterium World. in Angewandte Chemie (International ed. in English)

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Fielden J (2012) A fluorophosphate-based inverse Keggin structure. in Dalton transactions (Cambridge, England : 2003)

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Gao J (2012) Assembly of molecular "layered" heteropolyoxometalate architectures. in Angewandte Chemie (International ed. in English)

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Gutierrez JM (2014) Evolution of oil droplets in a chemorobotic platform. in Nature communications

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Kato C (2013) Quick and selective synthesis of Li6[a-P2W18O62]·28H2O soluble in various organic solvents. in Dalton transactions (Cambridge, England : 2003)

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Long DL (2010) Polyoxometalates: building blocks for functional nanoscale systems. in Angewandte Chemie (International ed. in English)

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McGlone T (2012) An unprecedented silver-decavanadate dimer investigated using ion-mobility mass spectrometry. in Chemical communications (Cambridge, England)

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Miras HN (2012) Solution-phase monitoring of the structural evolution of a Molybdenum Blue nanoring. in Journal of the American Chemical Society

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Newton GN (2011) Mapping the sequential self-assembly of heterometallic clusters: from a helix to a grid. in Angewandte Chemie (International ed. in English)

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Parrilla Gutierrez Juan Manuel (2014) Hardware and Software manual for Evolution of Oil Droplets in a Chemo-Robotic Platform in arXiv e-prints

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Ruiz De La Oliva A (2017) Coding the Assembly of Polyoxotungstates with a Programmable Reaction System in Inorganic Chemistry

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Scharf C (2016) Quantifying the origins of life on a planetary scale. in Proceedings of the National Academy of Sciences of the United States of America

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Symes M (2011) The Crystal Computer - Computing with Inorganic Cellular Frameworks and Nets in International Journal of Nanotechnology and Molecular Computation

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Takashima Y (2014) Towards imaging electron density inside metal-organic framework structures. in Chemical communications (Cambridge, England)

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Xu F (2012) Correlating the magic numbers of inorganic nanomolecular assemblies with a {Pd84} molecular-ring Rosetta Stone. in Proceedings of the National Academy of Sciences of the United States of America

 
Description These reactors have been designed to examine chemical evolution, the proof of principle that this approach is viable and then the eventual extension to three key example areas including drug design, catalysis discovery and new materials discovery.
Exploitation Route This approach is of great relevance to the process industries since, by adopting an evolvable approach to the new molecules/material once the system identifies the route to climb the fitness landscape, the optimal process will be discovered at the same time.
Sectors Chemicals,Electronics,Energy,Healthcare,Manufacturing, including Industrial Biotechology,Pharmaceuticals and Medical Biotechnology

 
Description These findings have been used for the evolution of more complex organic and inorganic materials