20.500.12556/RUL-173229 Mehanistično modeliranje multimodalne anionsko-izmenjevalne kromatografije Mechanistic modeling of multimodal anion exchange column chromatography Kromatografija je temeljna laboratorijska tehnika za ločevanje komponent v zmesi. V biofarmacevtiki se jo uporablja za ločevanje tarčnih proteinov od ostalih nečistoč v bioloških zdravilnih učinkovinah. Magistrska naloga obravnava mehanistično modeliranje multimodalne anionsko-izmenjevalne kromatografije (MAC), ki je zaradi svoje visoke selektivnosti in možnosti prilagoditve procesnim pogojem pomembna tehnika v proizvodnji biofarmacevtikov. Ker eksperimentalno optimiziranje kromatografskih procesov zahteva veliko časa in sredstev, nam modeli služijo kot podpora pri razvoju, hkrati pa poglabljajo razumevanje procesa. Eksperimentalno smo umerili kromatografski model, sestavljen iz transportno-disperzijskega modela kolone (TDM) in različnih adsorpcijskih modelov. Pokazali smo, da preprosti modeli, kot sta linearna in Langmuirjeva izoterma, niso primerni za modeliranje MAC kromatografije v izbranih procesnih pogojih, medtem ko različne nadgraditve modela ohranitve mase in steričnega oviranja (SMA) zagotavljajo boljše rezultate. Slednje smo ovrednotili z različnimi industrijsko relevantnimi metrikami, kot sta napoved čistosti in izkoristka postopka. Nazadnje smo napovedi modelov validirali na neodvisni množici podatkov. Chromatography is a fundamental laboratory technique used for separation mixture into its components. In biopharmacy, it is used to separate target proteins from other impurities in biologically active compounds. This master's thesis focuses on mechanistic modeling of multimodal anion-exchange chromatography (MAC), which is an important technique in the production of biopharmaceuticals due to its high selectivity and its adaptability to process conditions. As experimental optimisation of chromatographic processes is time and resource intensive, the models serve to support our development and deepen our understanding of the process. We have experimentally calibrated a chromatographic model consisting of a Transport Dispersive column model (TDM) and different adsorption models. We have shown that simple models such as the linear and Langmuir isotherms are not suitable for modelling MAC chromatography under selected process conditions, while various upgrades of the Steric Mass Action (SMA) model provide better results. The latter were evaluated with various industrially relevant metrics such as purity and process yield prediction. Finally, we validated the model predictions on an independent dataset. kromatografija proteini matematično-fizikalno modeliranje mehanistični modeli kromatografije adsorpcijske izoterme chromatography proteins mathematical-physical modeling mechanistic chromatography models adsorption isotherms true false false Slovenski jezik Angleški jezik Magistrsko delo/naloga 2025-09-14 08:15:20 2025-09-14 08:15:27 2025-11-07 03:38:26 0000-00-00 00:00:00 2025 0 0 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 153385 249147139 18931.pdf 18931.pdf 1 172453C2F949F20F8FD8CDEE07C42744 e997e81d7643de7b4d2f302f9ba18e7a3e6b3728603000edea382b5997748bdf 0a805d26-9132-11f0-9328-0050569b8976 https://repozitorij.uni-lj.si/Dokument.php?lang=slv&id=217422 Fakulteta za matematiko in fiziko 0 0 0