magistrsko delo
Eva Pogorelc (Author), Marija Bešter-Rogač (Mentor), Iztok Turel (Thesis defence commission member), Bojan Šarac (Thesis defence commission member), Slobodan Gadžurić (Co-mentor)

Abstract

Kvarterne amonijeve soli so zaradi svoje rabe v vsakdanjem življenju razširjene, njihove lastnosti pa že dobro raziskane. V zadnjem času pa se vedno bolj poudarja njihov toksičen vpliv tako na ljudi kot druge organizme. O toksičnosti kvarternih decilamonijevih kloridov ni še veliko znanega, prav tako ne vemo kako funkcionaliziranost stranske alkilne verige na dušiku vpliva nanjo. Preučevali smo pet različno funkcionaliziranih kvarternih decilamonijevih kloridov: N-decil-N,N,N-trimetilamonijev klorid, N-(2-hidroksietil)-N-decil-N,N-dimetilamonijev klorid, N-(2-metoksietil)-N-decil-N,N-dimetilamonijev klorid, N-(2-(2-metoksietoksi)etil)-N-decil-N,N-dimetilamonijev klorid in N-(2-etoksi-2-oksoetil)-N-decil-N,N-dimetilamonijev klorid. Na primeru petih vrst plesni kot modelnih evkariontskih organizmov smo določali minimalno inhibitorno in minimalno fungicidno koncentracijo vodnih raztopin preučevanih organizmov. S teorijo gostotnega funkcionala smo izračunali porazdelitveni koeficient med n-oktanolom in vodo, ki nam služi kot mera lipofilnosti. Na koncu smo naredili še molekulsko sidranje preučevanih spojin na sedmih različnih encimih, ki so pomembni za delovanje modelnih organizmov.

Keywords

površinsko aktivne snovi;toksičnost;kvarterne amonijeve spojine;kvarterni amonijevi kloridi;fungicidno delovanje;lipofilnost;molekulsko sidranje;magistrska dela;

Data

Language: Slovenian
Year of publishing:
Typology: 2.09 - Master's Thesis
Organization: UL FKKT - Faculty of Chemistry and Chemical Technology
Publisher: [E. Pogorelc]
UDC: 544.72:620.266.1(043.2)
COBISS: 88768771 Link will open in a new window
Views: 160
Downloads: 32
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Other data

Secondary language: English
Secondary title: Toxicity of aqueous solutions of functionalized quaternary decylammonium chlorides
Secondary abstract: Quaternary ammonium salts are due to their use in everyday life widespread, with their properties widely studied. Recently is more and more emphasized their toxic effect on people as well on other organisms. Not much is known about toxicity of quaternary decylammonium chlorides, additionally we do not know how functionalization of a side alkyl chain on nitrogen affects it. We studied five differently functionalized quaternary decylammonium chlorides: N-decyl-N,N,N-trimethylammonium chloride, N-(2-hydroxyethyl)-N-decyl-N,N-dimethylammonium chloride, N-(2-metoxyethyl)-N-decyl-N,N-dimethylammonium chloride, N-(2-(2-metoxyethoxy)ethyl)-N-decyl-N,N-dimethylammonium chloride in N-(2-ethoxy-2-oxoethyl)-N-decyl-N,N-dimethylammonium chloride. In the case of five different species of mould as our model eukaryotic organism we have determined minimal inhibition and minimal fungicide concentration of aqueous solutions. With density functional theory we calculated n-octanol-water partition coefficient, which served us as a measure of lipophilicity. At the end we performed molecular docking of studied compounds on seven different enzymes that are important for activity of model organisms.
Secondary keywords: surfactants;toxicity;lipophilicity;molecular docking;
Type (COBISS): Master's thesis/paper
Study programme: 1000375
Embargo end date (OpenAIRE): 1970-01-01
Thesis comment: Univ. v Ljubljani, Fak. za kemijo in kemijsko tehnologijo, smer Kemija
Pages: 53 str.
ID: 13815877