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Projekt Titel
FOR 5730: Online analytics for reaction mixtures and characterization of enzymatic (de)carboxylation at ambient and high pressure in DESs
Startdatum
January 1, 2025
Enddatum
December 31, 2027
Gepris ID
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Institut
Principal Investigator
Co-Investigators
The goal of this subproject is to explore and understand the interactions between deep eutectic solvent (DES)-based reaction systems and enzymes in the biotransformations of carboxylation and decarboxylation, under both ambient and high pressure conditions, up to 120 MPa. For these applications, the DESs physicochemical properties need to be fine-tuned by the composition of the hydrogen bond donor and the hydrogen bond acceptor that form hydrogen bond networks. The composition is crucial to achieve, among others, high substrate solubility, enzyme stability and enzyme activity. Online analytical techniques, such as FTIR and NMR spectroscopy, will be applied to monitor these reactions in real-time. Here, chemometric models need to be developed, both indirect hard modeling based on physical properties and flexible soft modeling, to accurately quantify dynamic changes in reaction components in the DES-based media throughout a process. This insight is crucial for understanding and, in consequence thereof, to select optimal reaction conditions and DES media choices in biocatalysis. A fundamental research question involves the effect of water content in DESs on enzymatic activity and stability. By manipulating this balance, the project seeks to understand and enhance the catalytic efficiency of enzymes while maintaining the environmentally benign nature of DESs. In this way, thermodynamic and kinetic data and data on process parameters and enzyme-solvent interactions will be gathered. In cooperation with the FOR 5730 partners, an iterative cycle of "design-analyze-understand" is created to develop better DES media and models predicting respective interactions. These models will be used in combination with reaction engineering approaches to investigate suitable downstream approaches, such a crystallization, adsorption and extraction, for efficient product isolation while ensuring reusability of DES components and biocatalyst. The research also intends to pioneer the study of biocatalysis in DES under elevated pressures, investigating how such conditions affect enzyme behavior and reaction dynamics, including potential carbamate formation which could influence enzyme functionality. Ultimately, this project could lead to new methodologies and insights of DES as non-conventional solvent systems, for use in biocatalysis and its applications in gas adsorption and storage.