Matematičko modeliranje enzimski katalizirane kaskadne reakcije

undergraduate thesis

• Title (english): Mathematical modelling of an enzyme-catalysed cascade reaction
• Author: Karlo Borović
• Mentor: Martina Sudar (mentor)
• Committee member: Martina Sudar (predsjednik povjerenstva)
• Committee member: Zvjezdana Findrik Blažević (član povjerenstva)
• Committee member: Marija Vuković Domanovac (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2021-09-20, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering

Abstract

U ovom radu razvijeni su matematički modeli kaskadne enzimske reakcije sinteze (3S, 4R)-6-[(benziloksikarbonil)amino]-5,6-dideoksiheks-2-uloze u kotlastom reaktoru i kotlastom reaktoru s dotokom supstrata. Sinteza produkta sastoji se od tri reakcije, reakcije oksidacije Cbz-N-3-aminoporopanola u Cbz-N-3-aminoporopanal katalizirane enzimom alkohol dehidrogenazom iz konjske jetre (HLADH), reakcije aldolne adicije dihidroksiacetona (DHA) na Cbz-N-3-aminoporopanal katalizirane enzimom D-fruktoza-6-fosfat aldolazom (FSA) iz bakterije Escherichia coli varijante A129S i reakcije regeneracije koenzima NAD+ katalizirane enzimom NADH oksidazom (NOX) koji je izoliran iz bakterije Lactococcus lactis. Pomoću programa SCIENTIST firme Micromath provedene su simulacije utjecaja koncentracije komponenata sustava na enzimsku aktivnost te su razvijeni modeli kaskadne reakcije u kotlastom reaktoru i kotlastom reaktoru s dotokom supstrata. Provedene su simulacije kaskadnih reakcija u oba tipa reaktora pri istim početnim uvjetima i različitim vrijednostima protoka supstrata i koncentracije supstrata u dotoku za reakciju u kotlastom reaktoru s dotokom supstrata te je ispitan utjecaj promjene vrijednosti parametara Michaelis-Menteničinog modela na krajnje koncentracije produkata.

Abstract (english)

In this work, the mathematical model for the cascade reaction of (3S, 4R)-6-[(benzyloxycarbonyl)amino]-5,6-dideoxyhex-2-ulose synthesis was developed. The synthesis consists of three reactions, the reaction of Cbz-N-3-aminopropanol oxidation to Cbz-N-3-aminopropanal which is catalyzed by the enzyme horse liver alcohol dehydrogenase (HLADH), the reaction of aldol addition of dihydroxyacetone to Cbz-N-3-aminopropanal catalyzed by the enzyme D-fructose-6-phosphate aldolase (FSA) from Escherichia coli A129S variant and the reaction for the regeneration of the coenzyme NAD+ catalyzed by the enzyme NADH oxidase (NOX) which is isolated from the bacteria Lactococcus lactis. Using the SCIENTIST program from the company Micromath, simulations of the influence of the concentration of reaction components on enzyme activity were performed and the model for the cascade reaction in the batch and fed-batch reactor was developed. The simulations of the cascade reactions in both reactor types with the same starting conditions and different values of substrate flow rate and concentrations in the fed-batch reactor were carried out. The influence of the Michaelis-Menten model parameter values on the end concentration of the products was investigated.

• Keywords: matematički model; kotlasti reaktor; kotlasti reaktor s dotokom supstrata; biokataliza
• Keywords (english): mathematical model; batch reactor; fed-batch reactor; biocatalysis
• Language: croatian
• URN:NBN: urn:nbn:hr:149:474987
• Study programme: Title: Applied Chemistry - Undergraduate study; specializations in: Environmental chemistry and green technologies, Advanced materials and technologies, Applied organic chemistry; Course: Environmental chemistry and green technologies; Study programme type: university; Study level: undergraduate; Academic / professional title: sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije (sveučilišni/a prvostupnik/prvostupnica (baccalaureus/baccalaurea) primijenjene kemije)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Closed access
• Created on: 2023-03-23 13:54:52