Modeliranje biokatalitičke redukcije acetona katalizirane ketoreduktazom

undergraduate thesis

• Title (english): Modelling of biocatalytical acetone reduction catalyzed by ketoreductase
• Author: Petra Pohanić
• Mentor: Ana Vrsalović Presečki (mentor)
• Committee member: Ana Vrsalović Presečki (predsjednik povjerenstva)
• Committee member: Zvjezdana Findrik Blažević (član povjerenstva)
• Committee member: Ana Lončarić Božić (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2018-09-20, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering; Reaction Engineering

Abstract

Ketoreduktaze su enzimi koji sudjeluju u prijenosu elektrona, vodikovih ili kisikovih atoma te time kataliziraju redoks reakcije. U ovom radu provedeno je ispitivanje kinetike ketoreduktaze (KRED) u reakciji redukcije acetona, kao i ispitivanje kinetike u povratnoj reakciji, oksidaciji izopropanola. KRED za redukciju acetona zahtijeva prisustvo koenzima nikotin-amid-adenin-dinukleotid-fostata (NADPH) koji dovodi vodik do acetona reducirajući ga u izopropanol, prilikom čega NADPH prelazi u oksidirani oblik, NADP+. Eksperimentalni podaci obrađeni su u programskom paketu Scientist, a kinetički parametri procijenjeni su nelinearnom regresijom pomoću simpleks metode ili metode najmanjih kvadrata. Također, određena je stabilnost enzima u otopini acetona. Na temelju sheme reakcije i procijenjenih kinetičkih parametara postavljen je matematički model. Upotrebom modela provedena je simulacija redukcije acetona katalizirane ketoreduktazom u kotlastom reaktoru. Zaključeno je kako se reakcija redukcije acetona katalizirana ketoreduktazom može koristiti u procesu regeneracije koenzima NADP+ zbog postignute ravnotežne konverzije od 84,7 %.

Abstract (english)

Ketoreductase is an enzyme involved in the transfer of electrons, hydrogen or oxygen atoms, thus catalyzing the redox reaction. In this paper, ketoreductase kinetics (KRED) was investigated in the reaction of acetone reduction as well as the kinetic in the reverse reaction, the isopropanol oxidation. KRED for acetone reduction requires the presence of nicotinamide-adenine-dinucleotide-phostate (NADPH) coenzyme, which transfers the hydrogen to acetone by converting it into isopropanol, whereby NADPH passes into an oxidized form, NADP+. Experimental data were processed in the Scientist program package, and kinetic parameters were estimated by nonlinear regression using the simplex method or the least squares method. Also, the stability of the enzyme in the acetone solution was determined. Based on reaction scheme and estimated kinetic parameters, a mathematical model was set. Using the model, the simulation of acetone reduction catalyzed by ketoreductase was done in the batch reactor. It was concluded that reaction of acetone reduction catalyzed by examine ketoreductase can be used in the NADP+ coenzyme regeneration process due to achieved 84,7 % equilibrium conversion.

• Keywords: modeliranje; ketoreduktaza; regeneracija koenzima; enzimska kinetika
• Keywords (english): modelling; ketoreductase; coenzyme regeneration; enzyme kinetics
• Language: croatian
• URN:NBN: urn:nbn:hr:149:522510
• Project: Number: 635595; Title: Sustainable industrial processes based on a C-C bond-forming enzyme platform; Acronym: CARBAZYMES; Leader: Zvjezdana Findrik Blažević; Jurisdiction: eu; Funder: EC; Funding stream: H2020
• Study programme: Title: Environmental Engineering - Undergraduate study; Study programme type: university; Study level: undergraduate; Academic / professional title: sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka ekoinženjerstva (sveučilišni/a prvostupnik/ prvostupnica (baccalaureus/baccalaurea) inženjer/inženjerka ekoinženjerstva)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2022-05-20 13:39:07