Razvoj matematičkog modela sinteze ATP-a u kaskadnoj reakciji

master's thesis

• Title (english): Mathematical model development for ATP synthesis in a cascade reaction
• Author: Marija Berečić
• Mentor: Martina Sudar (mentor)
• Committee member: Martina Sudar (predsjednik povjerenstva)
• Committee member: Zvjezdana Findrik Blažević (član povjerenstva)
• Committee member: Monika Šabić Runjavec (član povjerenstva)
• Granter: University of Zagreb; Faculty of Chemical Engineering and Technology; Zagreb
• Defense date and country: 2024-09-30, Croatia
• Scientific / art field, discipline and subdiscipline: TECHNICAL SCIENCES; Chemical Engineering

Abstract

Adenozin trifosfat (ATP) ima veliku ulogu u skladištenju energije koja je potrebna za odvijanje bioloških procesa u živim stanicama – sinteze, transporta, mobilnosti molekula i sl. Energija se skladišti u vezama među fosfatnim skupinama, a strukturu molekule ATP-a čini lanac od tri fosfatne skupine uz D-ribozu i adenin. Njegova upotreba porasla je primjenom izvanstaničnih enzimskih procesa u raznim industrijskim svrhama poput proizvodnje lijekova, vitamina, hrane, tekstila i dr. Zbog visoke cijene i česte primjene sve veća pažnja posvećena je razvijanju novih puteva njegove regeneracije. U ovom radu opisan je proces sinteze ATP-a iz adenozina i adenozin monofosfata (AMP) linearnom kaskadnom reakcijom uz upotrebu enzima ADK, PPK2-I te PPK2-II. Eksperiment je proveden upotrebom matematičkog modeliranja i genetskog algoritma uz računalne programe SCIENTIST i GALOP (engl. Genetic Algorithm for the Optimization of Processes). U SCIENTIST-u je provedena simulacija sinteze ATP-a, dok je pomoću GALOP- -a provedena optimizacija početnih uvjeta procesa – koncentracije adenozina, AMP-a, magnezijevih iona te vrijeme trajanja reakcije. Vrijednosti koncentracija enzima i polifosfata održavane su konstantnima. Cilj rada pronalazak je optimalnih uvjeta procesa pri kojima je moguće postići maksimalnu koncentraciju ATP-a. Dobiveni rezultati pokazali su kako je pri optimalnim uvjetima moguće postići koncentraciju ATP-a od 20,7 mM.

Abstract (english)

Adenosine triphosphate (ATP) plays a significant role in storing the energy required for biological processes in living cells – synthesis, transport, mobility of molecules and more. The energy is stored in the bonds between phosphate groups, and the structure of the ATP molecule consists of a chain of three phosphate groups along with D-ribose and adenine. The necessity for ATP has increased with the application of extracellular enzymatic processes for different industrial purposes, such as production of drugs, vitamins, food, textiles and others. Due to its high cost and frequent usage, increasing attention has been focused on developing novel pathways for its regeneration. This paper describes the process of ATP synthesis from adenosine and adenosine monophosphate (AMP) through a linear cascade reaction using the enzymes ADK, PPK2-I, PPK2-II. The experiment was conducted using mathematical modeling and genetic algorithm with computer programs SCIENTIST and GALOP (Genetic Algorithm for the Optimization of Processes). In SCIENTIST, a simulation of ATP synthesis was conducted, while GALOP was used to optimize the initial conditions of process – concentration of adenosine, AMP, magnesium ions and reaction duration. The concentrations of enzymes and polyphosphate were kept constant. The aim of this study was to find the optimal process conditions to achieve the maximum concentration of ATP. The results obtained showed that, under optimal conditions, it is possible to achieve an ATP concentration of 20,7 mM.

• Keywords: sinteza ATP-a; matematičko modeliranje; simulacija; optimizacija
• Keywords (english): ATP synthesis; mathematical modeling; simulation; optimization
• Language: croatian
• URN:NBN: urn:nbn:hr:149:755456
• Study programme: Title: Environmental Engineering - Graduate study; Study programme type: university; Study level: graduate; Academic / professional title: sveučilišni/a magistar/magistra inženjer/inženjerka ekoinženjerstva (sveučilišni/a magistar/magistra inženjer/inženjerka ekoinženjerstva)
• Type of resource: Text
• File origin: Born digital
• Access conditions: Embargoed access; Embargo expiration date: 2030-06-01
• Created on: 2024-11-11 14:25:56