Matematičko modeliranje kaskadne reakcije

undergraduate thesis

• Title (english): Mathematical modeling of a cascade reaction
• Author: Karla Grošić
• 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: 2018-09-10, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering; Reaction Engineering

Abstract

U ovom radu određena je kinetika oksidacije etanola u acetaldehid koja je katalizirana enzimom alkohol dehidrogenazom (ADH). Kinetički parametri procijenjeni su iz eksperimentalnih podataka ovisnosti početne brzine reakcije oksidacije etanola o koncentraciji etanola i NAD+. Ispitivana reakcija je sporedna reakcija u kaskadnoj reakciji koja se sastoji od oksidacije alkohola u aldehid te aldolne adicije acetaldehida na aldehid pri čemu nastaje konačni produkt laktol. Ova kaskadna reakcija također uključuje i regeneraciju koenzima NAD+ kataliziranu enzimom NADH oksidazom (NOX). Razvijen je matematički model kaskadne reakcije, te su provedene simulacije u programskom paketu SCIENTIST kako bi se ispitao utjecaj pojedine komponente u reakciji na konačnu koncentraciju aldolnog produkta.

Abstract (english)

In this work the kinetics of ethanol oxidation into acetaldehyde catalyzed by alcohol dehydrogenase (ADH) was determined. Kinetic parameters were estimated from the experimental data of dependence of the initial reaction rate on the concentration of ethanol and NAD+. This reaction is a side reaction in a cascade reaction of an alcohol oxidation to aldehyde and aldol addition of acetaldehyde to aldehyde in which the final product lactol is formed. This cascade reaction also includes a coenzyme regeneration of NAD+ catalyzed by NADH oxidase (NOX). Mathematical model for the cascade reaction was developed and used for simulations in the software package SCIENTIST. The influence of concentrations of different components of the reaction system on the final aldol product concentration was investigated.

• Keywords: biokataliza; ADH; NAD+; NOX; enzimi; kaskadna reakcija; Michaelis-Menteničina kinetika; matematičko modeliranje; SCIENTIST
• Keywords (english): biocatalysis; ADH; NAD+; NOX; enzymes; cascade reaction; Michaelis-Menten kinetics; mathematical modeling; SCIENTIST
• Language: croatian
• URN:NBN: urn:nbn:hr:149:848016
• 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: Applied Chemistry - Undergraduate study; specializations in: Environmental chemistry and green technologies, Advanced materials and technologies, Applied organic chemistry; Course: Applied organic chemistry; 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: Open access
• Created on: 2021-06-24 13:01:48