May 21, 2019   10:35 a.m. Zina
Academic information system

Summary of topics offered - Faculty of Chemical and Food Technology


Basic information

Type of work: Dissertation thesis
Topic: Molekulovo-dynamické simulácie povrchov pokrytých poly(2-oxazolínom)
Title of topic in English: Molecular dynamic simulations of surfaces covered by poly(2-oxazoline)
State of topic: approved (prof. Ing. Pavel Alexy, PhD. - Chairperson of Departmental Board)
Thesis supervisor: Mgr. Zuzana Benková, PhD.
Faculty: Faculty of Chemical and Food Technology
Supervising department: Institute of Natural and Synthetic Polymers - FCFT
Max. no. of students: 1
Academic year:2019/2020
Proposed by: Mgr. Zuzana Benková, PhD.
External educational institution: Polymer Institute of the Slovak Academy of Sciences
Annotation: Ochrana povrchov pred nežiadúcou adsorpciou proteínov má veľký význam v biochemických a nanotechnoligických aplikáciách. Jednou z najrozšírenejších metód ochrany povrchov je reverzibilné alebo nereverzibilné pokrytie povrchov polymérnymi reťazcami. Na tento účel sa veľmi často používa poly(etylén oxid) (PEO), ktorý je biokompatibilný, netoxický a nevyvoláva imunitnú reakciu v živých organizmoch a je výborne rozpustný vo vode. V súčasnosti sa do popredia dostáva aj poly(2-oxazolín) (POX), ktorý prejavuje podobné vlastnosti ako PEO, dokonca sa ukazuje, že by mohol byť pri ochrane povrchov aj efektívnejší. Pomocou molekulovo-dynamických simulácií je možné porovnať účinnosť PEO a POX pri ochrane povrchov a zdôvodniť rozdiely na atomistickej úrovni. Simulácie sa uskutočnia použitím programového balíka GROMACS.
Annotation in English: Protection of surfaces against undesired protein adsorption is of significant importance in biochemical and nanotechnological applications. One of the most frequently used method of surface protection is reversible or irreversible coating of surfaces with polymer chains. For this purpose, poly(ethylene oxide) (PEO) is very often used. PEO is biocompatible, nontoxic, does not induce immune response in living bodies and is perfectly soluble in water. Presently, however, also poly(2-oxazoline) (POX), which displays similar properties to PEO, is becoming prominent and, moreover, indications about its superiority in protection effectiveness have appeared. Molecular dynamics simulations enable to compare the surface protection effectivity of PEO and POX and to explain the differences at atomistic level. The simulations will be performed using program package GROMACS.
Further information: Od študenta sa na začiatku štúdia neočakáva znalosť programu GROMACS.



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Limit to study programme
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ProgrammeTrackTrack
D-MACH Macromolecular Chemistry-- not entered -- -- not entered --