Original title:
Interakce aminokyselin s fosfolipidovými monovrstvami
Translated title:
Interaction of aminoacids with phospholipid monolayers
Authors:
Kukharchuk, Alexandra ; Roeselová, Martina (advisor) ; Pospíšil, Miroslav (referee) Document type: Bachelor's theses
Year:
2014
Language:
cze Abstract:
[cze][eng] Tato práce se zabývá studiem interakcí mezi aminokyselinami s hydrofobním postranním řetězcem a fosfolipidovou monovrstvou na rozhraní voda-vzduch pomocí molekulové dynamiky. Byly provedeny tři simulace: a) simulace leucinu ve vodném roztoku, b) simulace povrchu vodného roztoku leucinu c) simulace roztoku leucinu s monovrstvou fosfolipidů DPPC na povrchu. Tyto simulace ukázaly, že leucin jeví povrchovou aktivitu a má tendenci tvořit klastry, a to přednostně na vodném povrchu. Rovněž bylo zjištěno, že leucin interkaluje mezi molekuly DPPC, což vede ke vzniku drobných pórů v DPPC monovrstvě. Výsledky simulace leucinu s DPPC monovrstvou byly porovnány s výsledky již dříve provedené obdobné simulace pro fenylalanin. Toto porovnání ukázalo, že molekuly fenylalaninu pronikají do DPPC monovrstvy více než molekuly leucinu, ačkoliv hloubka zanoření mezi molekuly DPPC je u obou aminokyselin prakticky stejná. Powered by TCPDF (www.tcpdf.org)The aim of the thesis is to get insight into the interactions between amino acids with a hydrophobic side- chain and a phospholipid monolayer on the water-air interface via molecular dynamics. There were three simulations performed: a) simulation of leucine in aqueous solution, b) simulation of leucine at the solution - air interface c) simulation of leucine solution with DPPC phospholipid monolayer at its surface. These simulations demonstrate that leucine shows surface activity and tendency to aggregate, particularly at the water surface. This tendency also remains in the presence of DPPC monolayer. In addition, intercalation of leucine between DPPC molecules was observed, leading to creation of small pores in the DPPC monolayer. The results of the simulation with leucine were compared with the results of a previously done analogous simulation with phenylalanine. The comparison showed that phenylalanine penetrates into the DPPC monolayer more than leucine, however the depth of penetration between DPPC molecules is almost the same for both amino acids. Powered by TCPDF (www.tcpdf.org)
Keywords:
intercalation; Langmuir monolayers; pulmonary surfactant; specific intermolecular interactions; interkalace; Langmuirovy monovrstvy; plicní surfaktant; specifické mezimolekulové interakce
Institution: Charles University Faculties (theses)
(web)
Document availability information: Available in the Charles University Digital Repository. Original record: http://hdl.handle.net/20.500.11956/63977