prikaz prve stranice dokumenta Evaluacija računalnih metoda u masenoj spektrometriji
Embargo period 2025-03-10
master's thesis
Evaluacija računalnih metoda u masenoj spektrometriji
Zagreb: University of Zagreb, Faculty of Pharmacy and Biochemistry, 2023. urn:nbn:hr:163:683386
Mladić, Matija
University of Zagreb
Faculty of Pharmacy and Biochemistry
Department of pharmaceutical analysis

Institutional repository: Repository of Faculty of Pharmacy and Biochemistry University of Zagreb

Cite this document

Mladić, M. (2023). Evaluacija računalnih metoda u masenoj spektrometriji (Master's thesis). Zagreb: University of Zagreb, Faculty of Pharmacy and Biochemistry. Retrieved from https://urn.nsk.hr/urn:nbn:hr:163:683386

Mladić, Matija. "Evaluacija računalnih metoda u masenoj spektrometriji." Master's thesis, University of Zagreb, Faculty of Pharmacy and Biochemistry, 2023. https://urn.nsk.hr/urn:nbn:hr:163:683386

Mladić, Matija. "Evaluacija računalnih metoda u masenoj spektrometriji." Master's thesis, University of Zagreb, Faculty of Pharmacy and Biochemistry, 2023. https://urn.nsk.hr/urn:nbn:hr:163:683386

Mladić, M. (2023). 'Evaluacija računalnih metoda u masenoj spektrometriji', Master's thesis, University of Zagreb, Faculty of Pharmacy and Biochemistry, accessed 22 November 2024, https://urn.nsk.hr/urn:nbn:hr:163:683386

Mladić M. Evaluacija računalnih metoda u masenoj spektrometriji [Master's thesis]. Zagreb: University of Zagreb, Faculty of Pharmacy and Biochemistry; 2023 [cited 2024 November 22] Available at: https://urn.nsk.hr/urn:nbn:hr:163:683386

M. Mladić, "Evaluacija računalnih metoda u masenoj spektrometriji", Master's thesis, University of Zagreb, Faculty of Pharmacy and Biochemistry, Zagreb, 2023. Available at: https://urn.nsk.hr/urn:nbn:hr:163:683386

Metadata
TitleEvaluacija računalnih metoda u masenoj spektrometriji
Title (english)Evaluation of computational methods in mass spectrometry
AuthorMatija Mladić
MentorAna Mornar Turk (mentor)
Committee memberAna Mornar Turk (predsjednik povjerenstva)
Committee memberDaniela Amidžić Klarić (član povjerenstva)
Committee memberOlga Gornik Kljaić (član povjerenstva)
GranterUniversity of Zagreb
Faculty of Pharmacy and Biochemistry
(Department of pharmaceutical analysis)
Zagreb
Defense date and country2023-03-10, Croatia
Scientific / art field,
discipline and subdiscipline		BIOMEDICINE AND HEALTHCARE
Pharmacy
Pharmacy
Abstract
Tekućinska kromatografija visoke djelotvornosti povezana s masenom spektrometrijom je danas najčešće korištena tehnika za identifikaciju i određivanje aktivne farmaceutske tvari i njenih onečišćenja u sirovinama, farmaceutskim formulacijama i gotovim proizvodima. Rad na ovoj naprednoj tehnici zahtjeva posebnu edukaciju analitičara te bogato iskustvo rada u području kromatografije i masene spektrometrije. Kako bi se analitičarima olakšao rad na instrumentu kao i tumačenje dobivenih rezultata posljednjih godina razvijen je niz računalnih programa koji simuliraju masene spektre te predlažu strukture nastalih iona kao i puteve fragmentacije. Cilj ovoga rada bio je koristeći se HPLC-ESI-MS/MS tehnikom provesti analizu lijeka koji se koristi u liječenju upalnih bolesti crijeva sulfasalazina. Nadalje, pomoću računalnih programa prikupljeni su simulirani maseni spektri te predložene strukture molekula koje nastanu fragmentacijom. Istraživanje je obuhvatilo detaljnu usporedbu eksperimentalno dobivenih masenih spektara te istih dobivenih simulacijom računalnim programima.
Abstract (english)
High performance liquid chromatography coupled with mass spectrometry is today the most commonly used technique for the identification and determination of active pharmaceutical substances and their contamination in raw materials, pharmaceutical formulations and finished products. Working on this advanced technique requires special training of the analyst and extensive work experience in the field of chromatography and mass spectrometry. In order to make it easier for analysts to work on the instrument as well as to interpret the obtained results, a number of computer programs have been developed in recent years that simulate mass spectra and present the structure of the occurred ions as well as the fragmentation pathways. The aim of this work was to use the HPLC-ESI-MS/MS technique to analyze the drug sulfasalazine, which is used in the treatment of inflammatory bowel diseases. Furthermore, computer programs were used to collect simulated mass spectra and proposed structures of molecules resulting from fragmentation. The research included a detailed comparison of the experimentally obtained mass spectra and the same obtained by simulation with computer programs.
Keywords
Keywords (english)
Languagecroatian
URN:NBNurn:nbn:hr:163:683386
Study programmeTitle: Pharmacy
Study programme type: university
Study level: integrated undergraduate and graduate
Academic / professional title: magistar/magistra farmacije (magistar/magistra farmacije)
Type of resourceText
File originBorn digital
Access conditionsEmbargoed access
Embargo expiration date: 2025-03-10
Terms of useLicence In copyright icon
Created on2023-03-10 13:41:57