Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu

Rinkovec, Tamara

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master's thesis

Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu

Zagreb: University of Zagreb, Faculty of Science, 2018. urn:nbn:hr:217:732592

Rinkovec, Tamara

University of Zagreb
Faculty of Science
Department of Chemistry

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APA 6th Edition

Rinkovec, T. (2018). Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu (Master's thesis). Zagreb: University of Zagreb, Faculty of Science. Retrieved from https://urn.nsk.hr/urn:nbn:hr:217:732592

MLA 8th Edition

Rinkovec, Tamara. "Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu." Master's thesis, University of Zagreb, Faculty of Science, 2018. https://urn.nsk.hr/urn:nbn:hr:217:732592

Chicago 17th Edition

Harvard

Rinkovec, T. (2018). 'Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu', Master's thesis, University of Zagreb, Faculty of Science, accessed 19 April 2024, https://urn.nsk.hr/urn:nbn:hr:217:732592

Vancouver

Rinkovec T. Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu [Master's thesis]. Zagreb: University of Zagreb, Faculty of Science; 2018 [cited 2024 April 19] Available at: https://urn.nsk.hr/urn:nbn:hr:217:732592

IEEE

T. Rinkovec, "Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu", Master's thesis, University of Zagreb, Faculty of Science, Zagreb, 2018. Available at: https://urn.nsk.hr/urn:nbn:hr:217:732592

Cite this item: https://urn.nsk.hr/urn:nbn:hr:217:732592

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Metadata

Title	Termodinamičko i strukturno istraživanje kompleksiranja homociklopeptida s halogenidnim i oksoanionima u acetonitrilu
Title (english)	Thermodynamic and structural studies of the complexation of homocyclopeptides with halide and oxoanions in acetonitrile
Author	Tamara Rinkovec
Mentor	Gordan Horvat (mentor)
Committee member	Gordan Horvat (predsjednik povjerenstva)
Committee member	Vladimir Stilinović (član povjerenstva)
Committee member	Morana Dulić (član povjerenstva)
Committee member	Branimir Bertoša (član povjerenstva)
Granter	University of Zagreb Faculty of Science (Department of Chemistry) Zagreb
Defense date and country	2018-11-22, Croatia
Scientific / art field, discipline and subdiscipline	NATURAL SCIENCES Chemistry
Abstract	U okviru ovog rada proučeni su otopinski kompleksacijski afiniteti homociklopeptida prema halogenidnim i oksoanionima, te prema tiocijanatnom ion, pri čemu je kao otapalo korišten acetonitril. Proučavani ciklopeptidni receptori sadrže pet (L1) odnosno šest (L2) lizinskih podjedinica povezanih u prsten, pri čemu su amino skupine bočnih lanaca zaštićene tert-butiloksikarbonilnom skupinom. Konstante stabilnosti anionskih kompleksa opisanih receptora eksperimentalno su određene pomoću mikrokalorimetrijskih titracija te spektroskopije NMR. Simulacijama molekulske dinamike s eksplicitnim molekulama otapala istražene su strukturne karakteristike veznog mjesta ciklopeptida. Anionski receptori L1 i L2 rijedak su primjer homociklopeptidnih receptora s visokim afinitetom prema anionima u otopini. Provedena su ispitivanja afiniteta te računalne simulacije linearnih peptida prema kloridnom anionu i kationima alkalijskih metala u N,N-dimetilformamidu s ciljem razumijevanja mehanizma reakcije ciklizacije i nastanka ciklopeptidnih receptora. Rezultati istraživanja ukazuju na činjenicu da mehanizam reakcije uključuje koordinaciju aniona, a ne kationa kao što je to do sada bilo smatrano.
Abstract (english)	For the purpose of this thesis, complexation affinities of homocyclopeptides towards halide, thiocyanate and oxoanions in acetonitrile were investigated. Studied cyclopeptide receptors contain five (L1) and six (L2) lysine subunits connected in a macrocycle, with the amino group of the side chains protected by a tert-butyloxycarbonyl group. The binding affinities were investigated experimentally by means of microcalorimetric titrations and NMR spectroscopy while the molecular dynamics simulations were performed to investigate the structural characteristics of the cyclopeptide binding site. Anion receptors L1 and L2 are rare examples of homocyclopeptide receptors with high affinity for anions in solution. Complexation properties studies and computer simulations of linear peptides towards chloride anion and alkali metal cations in N,N-dimethylformamide were conducted to understand the mechanism of cyclization reaction and the formation of cyclopeptide receptors. The study results point to the fact that the reaction mechanism involves anion coordination rather than cation, as it has been previously thought.
Keywords
Keywords (english)
Language	croatian
URN:NBN	urn:nbn:hr:217:732592
Study programme	Title: Graduate university studies in chemistry; specializations in: Research programme Course: Research programme Study programme type: university Study level: graduate Academic / professional title: magistar/magistra kemije (magistar/magistra kemije)
Type of resource	Text
File origin	Born digital
Access conditions	Open access Embargo expiration date: 2020-11-22
Terms of use
Repository	Repository of the Faculty of Science
Created on	2018-11-29 16:20:18

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