Kinetička karakterizacija ketoreduktaze u reakciji oksidacije optički aktivnog alkohola

undergraduate thesis

• Title (english): Kinetic characterization of ketoreductase in the oxidation of optically active alcohol
• Author: Lea Karamatić
• Mentor: Ana Vrsalović Presečki (mentor)
• Committee member: Ana Vrsalović Presečki (predsjednik povjerenstva)
• Committee member: Helena Otmačić Ćurković (član povjerenstva)
• Committee member: Filip Car (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2023-09-21, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering

Abstract

U ovome radu ispitala se kinetika enzim ketoreduktaze u reakciji oksidacije optički aktivnog alkohola. Također se ispitala i kinetika povratne reakcije, redukcije ketona, i kinetika reakcije regeneracije koenzima NAD+ uz enzim NADH oksidazu. Sve tri reakcije su opisane dvosupstratnom Michaelis-Menteničinom kinetičkim modelom uz uključene dokazane inhibicije pojedinih komponenata reakcijske smjese. Na osnovu kinetičkog modela i procijenjenih parametra postavljen je matematički model procesa u kotlastom reaktoru s i bez regeneracije koenzima. Simulacije pomoću modela napravljene su u programu Scientist, te je pokazano da je regeneracija koenzima nužna ne samo za reduciranje količine potrebnog koenzima već i za pomicanje ravnoteže u željenom smjeru. Simulacijama je dobiveno da je u reakciji oksidacije alkohola uz regeneraciju koenzima postignuta konverzija od 97,24%.

Abstract (english)

In this work, the kinetics of the enzyme ketoreductase in the oxidation reaction of optically active alcohol was studied. The kinetics of the reverse reaction, the reduction of ketones, and the kinetics of the regeneration of the coenzyme NAD+ catalysed by NADH oxidase were also examined. All three reactions are described by the two-substrate Michaelis-Menten kinetic model, with included proven inhibitions of components of the reaction mixture.
Based on the kinetic model and the estimated parameters, a mathematical model of the process in the batch reactor with and without coenzyme regeneration was set up. It was shown that coenzyme regeneration is not only necessary to reduce the amount of coenzyme required, but also to shift the equilibrium in the desired direction. The simulations showed that a conversion of 97.24% was achieved in the alcohol oxidation reaction with coenzyme regeneration.

• Keywords: enzim; regeneracija koenzima; kinetika; simulacija; oksidacija alkohola; KRED; NOX
• Keywords (english): enzyme; coenzyme regeneration; kinetics; simulation; alcohol oxidation; KRED; NOX
• Language: croatian
• URN:NBN: urn:nbn:hr:149:227114
• Study programme: Title: Materials Science and Engineering - Undergraduate study; Study programme type: university; Study level: undergraduate; Academic / professional title: sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka kemijskog inženjerstva (sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka kemijskog inženjerstva)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2023-11-29 17:07:35