Original title: Agregace aminokyselin a podobných molekul v přítomnosti fosfolipidové monovrstvy
Translated title: Clustering of aqueous aminoacids and similar molecules in the presence of phospholipid monolayers
Authors: Kukharchuk, Alexandra ; Cwiklik, Lukasz (advisor) ; Berka, Karel (referee)
Document type: Master’s theses
Year: 2016
Language: eng
Abstract: [eng] [cze]
Amino acid phenylalanine plays a key role in numerous biological processes and is also involved in amyloid fibril diseases. The aim of the thesis is to deepen our understanding of its behavior and partitioning at interfaces, and to investigate its clustering. Classical atomistic molecular dynamics simulations were performed for phenylalanine and three other aromatic molecules which chemical structure is derived from it - phenylglycine, phenylacetic acid and tyrosine. Molecules are simulated at both water-air and at water-DPPC-air interfaces. Phenylalanine, phenylglycine and phenylacetic acid demonstrate surface activity at the water-air interface, whereas tyrosine is not surface active. All molecules interact with the lipid monolayer at the water-DPPC-air interface but only phenylalanine penetrates deep into the monolayer. Formation of transient clusters is observed in the interfacial regions, mostly for phenylalanine. Powered by TCPDF (www.tcpdf.org) Cílem této práce bylo prohloubit naše znalosti o chování fenylalaninu a strukturně chemicky podobných aromatických molekul (tyrosin, fenylglycin, kyselina fenyloctová) pomocí metod molekulové dynamiky. Počítačové simulace byly provedeny na rozhraní voda-vzduch a na rozhraní voda-DPPC-vzduch. Na rozhraní voda-vzduch fenylalanin, tyrosin a kyselina fenyloctová projevují povrchovou aktivitu, tyrosin se jeví jako povrchově neaktivní molekula. Na rozhraní voda-DPPC-vzduch byla pozorována interakce mezi všemi molekulami a DPPC. Powered by TCPDF (www.tcpdf.org)
Keywords: aggregates; amino acid; aromatic ring; Langmuir monolayer; aminokyseliny; aromatický kruh; klastr; Langmuirova monovrstva

Institution: Charles University Faculties (theses) (web)
Document availability information: Available in the Charles University Digital Repository.
Original record: http://hdl.handle.net/20.500.11956/82926

Permalink: http://www.nusl.cz/ntk/nusl-352573


The record appears in these collections:
Universities and colleges > Public universities > Charles University > Charles University Faculties (theses)
Academic theses (ETDs) > Master’s theses