Matematički model enzimatske sinteze 6-cijano-4-ketoheksan kiseline

master's thesis

• Title (english): Mathematical model of an enzymatic synthesis of 6-cyano-4-ketohexanoic acid
• Author: Tea Sokač
• Mentor: Zvjezdana Findrik Blažević (mentor)
• Committee member: Zvjezdana Findrik Blažević (predsjednik povjerenstva)
• Committee member: Martina Sudar (član povjerenstva)
• Committee member: Marija Vuković Domanovac (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2017-09-28, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering; Reaction Engineering

Abstract

U ovom radu provedena je enzimska reakcija katalizirana enzimom sintaza 2-sukcinil-5-enolpiruvil-6-hidroksi-3-cikloheksen-1-karboksilne kiseline (MenD) uz α-ketoglutarat kao donorski supstrat, akrilonitril kao akceptorski supstrat te uz magnezijev sulfat kao kofaktor i tiamin difosfat kao koenzim. Provedeni su eksperimenti u kotlastom reaktoru radi praćenja stabilnosti α-ketoglutarata i akrilonitrila. Na temelju dobivenih rezultata u programskom paketu Scientist procijenjene su konstante polimerizacije akrilonitrila. Porastom koncentracije akrilonitrila raste i brzina polimerizacije, a time i konstanta polimerizacije akrilonitrila. Koncentracija α-ketoglutarata se vrlo malo smanjila nakon 48 sati što znači da je stabilan u reakcijskoj smjesi. Reakcija između α-ketoglutarata i akrilonitrila katalizirana enzimom MenD provedena je u kotlastom reaktoru. Tijekom reakcije praćene su koncentracije reaktanata i produkta. Rezultati pokazuju smanjenje koncentracije α-ketoglutarata i akrilonitrila te povećanje koncentracije produkta. Pomoću matematičkog modela za ovu enzimsku reakciju, provedene su simulacije u programskom paketu Scientist te se može uočiti dobro slaganje s eksperimentalnim rezultatima.

Abstract (english)

In this work an enzymatic reaction catalyzed by enzyme synthase 2-succinyl-5- enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylic acid (MenD) with α-ketoglutarate as donor substrate, acrylonitrile as acceptor substrate, magnesium sulfate as cofactor and thiamine diphosphate as coenzyme was carried out. Experiments were carried out to evaluate the stability of α-ketoglutarate and acrylonitrile. Acrylonitrile polymerization constant was estimated in software-package Scientist. When the concentration of acrylonitrile is increasing, the rate of polymerization is increasing and the constant of polymerization is increasing too. The concentration of α-ketoglutarate decreased a little after 48 hours which means that it is stable in the reaction mixture. The reaction between α-ketoglutarate and acrylonitrile catalyzed by enzyme MenD was carried out in the batch reactor. During the reaction, concentrations of α-ketoglutarate, acrylonitrile and product were followed. Results show that concentrations of substrates are decreasing and the concentration of product is increasing. Matchematical model for this enzymatic reaction was used in Scientist for simulations and it is in good agreement with experimental results.

• Keywords: MenD; kotlasti reaktor; α-ketoglutarat; akrilonitril; Stetter reakcije
• Keywords (english): MenD; batch reactor; α-ketoglutarate; acrylonitrile; Stetter reactions
• Language: croatian
• URN:NBN: urn:nbn:hr:149:307303
• 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 - Graduate study; Study programme type: university; Study level: graduate; Academic / professional title: magistar/magistra inženjer/inženjerka ekoinženjerstva (magistar/magistra inženjer/inženjerka ekoinženjerstva)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Open access
• Created on: 2020-04-28 12:07:26