RT Journal Article
T1 Experimental Monitoring and Modeling of Oxygen Dynamics in Laccase-Catalyzed Phenolic Oxidation
A1 Gonzalez, Ernesto
A1 García Montalvo, Jorge
A1 Gallego Rojo, Elena
A1 Ladero Galán, Miguel
A1 Bolívar Bolívar, Juan Manuel
AB Oxygen-dependent enzymes such as laccases play a central role in green oxidation processes, yet kinetic analyses often overlook the dynamic role of dissolved oxygen. In this study, we propose a useful methodology for the experimental monitoring and kinetic modeling of oxygen-consuming enzymatic reactions, demonstrated using the laccase-catalyzed oxidation of gallic acid and ferulic acid. The method integrates real-time monitoring of dissolved oxygen and substrate concentration with dynamic simulations accounting for oxygen mass transfer and bi-substrate kinetic models commonly used to describe laccase-catalyzed reactions. Experiments were conducted in both non-sparged and air-sparged systems to assess kinetic behavior under oxygen-limited and oxygen-sufficient conditions. The method yielded well-constrained kinetic constants for gallic acid and revealed a biphasic oxygen-uptake pattern for ferulic acid, arising from secondary oxidation of radical intermediates. Using Aspen Custom Modeler built-in non-linear regression and numerical integration algorithms, kinetic parameters were estimated by fitting them to complete time-course data, enabling accurate modeling of complex oxygen-dependent reactions. The proposed framework provides a practical tool for studying oxidase-catalyzed processes under conditions where dissolved-oxygen dynamics can be experimentally resolved, and supports more rational design of biocatalytic systems where oxygen availability governs the activity, selectivity and control of complex reaction networks.
PB RSC
SN 2058-9883
YR 2026
FD 2026-01-05
LK https://hdl.handle.net/20.500.14352/130685
UL https://hdl.handle.net/20.500.14352/130685
LA eng
NO Gonzalez, Ernesto, et al. «Experimental Monitoring and Modeling of Oxygen Dynamics in Laccase-Catalyzed Phenolic Oxidation». Reaction Chemistry & Engineering, 2026, p. 10.1039.D5RE00450K. DOI.org (Crossref), https://doi.org/10.1039/D5RE00450K.
NO MICIU/AEI
DS Docta Complutense
RD 21 abr 2026