20.500.12556/DKUM-61044 Optimizacija produkcije entropije in Shannonove informacijske entropije v encimskih reakcijah Optimization of entropy production and Shannon information entropy in enzyme reactions Odprti reakcijski sistemi med relaksacijo teţijo v neravnovesno stacionarno stanje. Takšni sistemi so v naravi zelo pogosti. Še najbolj znani so biokemijski procesi v bioloških celicah. Za analizo takšnih sistemov se je v zadnjih desetletjih vse bolj uveljavil princip maksimalne produkcije entropije (princip MPE). V tem diplomskem delu s principom MPE raziskujemo encimsko reakcijo kot primer odprtega neravnovesnega sistema v biološki celici. S principom MPE študiramo, ali encimska reakcija v stacionarnem stanju poteka ob pogoju maksimalne produkcije entropije. Optimizacijski postopek produkcije entropije za encimsko reakcijo, ki ga uporabljamo v diplomskem delu, so razvili raziskovalci Oddelka za fiziko na Fakulteti za naravoslovje in matematiko Univerze v Mariboru. Optimizacijski postopek omogoča teoretične napovedi optimalnih kinetičnih konstant encima, izkoristka reakcije, toka reakcije in termodinamske sile reakcije v stanju z maksimalno produkcijo entropije. Teoretične napovedi modela primerjamo z eksperimentalnimi podatki izmerjenimi za encim glukoza izomeraza [25, 26]. Tako preverjamo veljavnost principa MPE na primeru encimske kinetike. Za reakcijo smo izračunali tudi Shannonovo informacijsko entropijo, ki je v stacionarnem stanju prav tako maksimalna. Izračunana maksimalna vrednost Shannonove informacijske entropije v stanju z maksimalno produkcijo entropije morda nakazuje, da princip MPE opisuje statistično najbolj verjetna neravnovesna stacionarna stanja v odprtih reakcijskih sistemih. Open reaction systems during the relaxation tend to unbalanced steady state. Such systems are very common in nature. Most known are the biochemical processes in biological cells. For the analysis of such systems it was increasingly established principle of maximum entropy production in recent decades (MPE principle). In this diploma thesis we investigated enzymatic reaction as an example of open no equilibrium system in biological cells with the MPE principle. With the MPE principle we study, if enzymatic reaction in the steady state is carried out under the condition of maximum entropy production. The optimization process of entropy production for an enzyme reaction that we are using in our thesis was developed by researchers of the Department of Physics at the Faculty of Natural Sciences and Mathematics of Maribor University. The optimization process allows the theoretical prediction of optimal kinetic constants of the enzyme yield of the reaction, the reaction flow and thermodynamic forces of reaction in a state of maximum entropy production. We are comparing theoretical predictions of the model to the experimental data measured for the enzyme glucose isomerase [25, 26]. In this way we are checking the validity of the MPE principle on the example of enzyme kinetics. For the reaction we also calculated Shannon’s information entropy, which is in a steady state also maximal. Calculated maximum value of the Shannon information entropy in a state of maximum entropy production may indicate that the MPE principle is describing statistically the most likely nonequilibrium stationary states in an open reaction systems. encimska reakcija maksimalna produkcija entropije Shannonova informacijska entropija fizikalno - matematični model optimizacija glukoza izomeraza enzyme reaction maximum entropy production Shannon information entropy physical - mathematical model optimization glucose isomerase true true false [A. Vunjak] Slovenski jezik Angleški jezik Diplomsko delo 2016-07-17 18:11:19 2016-09-19 13:56:29 2022-06-25 03:07:22 2019-07-11 12:07:00 2016 0 Maribor 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 536.75(043.2) 22543624 URN:SI:UM:DK:G6UPZ1VN UN_Vunjak_Ales_2016.pdf UN_Vunjak_Ales_2016.pdf 1 8909BDBACDD52ABE75D80654CF327A71 557c9264061a318b7708c753670f5a31d2ccf3b2d1662b115ac291865b22e8d5 e9ecf8b1-7c0c-11eb-bb7a-00155d0001ca https://dk.um.si/Dokument.php?lang=slv&id=96857 Fakulteta za naravoslovje in matematiko 0 0 0