Rentgenska praškovna difrakcija zdravil proti depresiji

Ozmec, Diana (author), Meden, Anton (mentor)

Z metodo rentgenske praškovne difrakcije lahko karakteriziramo snovi s kristalinično sestavo. Za vsako kristalinično snov obstaja edinstven difraktogram, ki je tudi rezultat te metode in nam omogoča nadaljnjo kvalitativno analizo. V diplomskem delu sem z računalniškimi programi XˈPert HighScore Plus, CSM, ConQuest, CSD in Mercury analizirala devetnajst vzorcev zdravil proti depresiji. S programom XˈPert HighScore Plus sem vzorce primerjala med seboj in iz dobljenih rezultatov pridobila podatke o kristaliničnih oz. prisotni amorfni fazi. Ugotovila sem, da so si nekateri difraktogrami z isto zdravilno učinkovino med seboj podobni, drugi pa različni, kar pomeni, da le-ti vsebujejo drugačne pomožne snovi. Zdravila, ki vsebujejo manjši delež zdravilne učinkovine, se lahko ujemajo v vrhovih istih pomožnih snovi. Eden izmed glavnih namenov je bil identificirati snovi v vzorcih in jih primerjati z navedenimi snovmi v deklaraciji. Identifikacijo spojin mi je omogočal program CSM, programe ConQuest, CSD in Mercury pa sem uporabila za določitev zdravilnih učinkovin, ki jih s programom CSM nisem mogla določiti. Nekaterih zdravilnih učinkovin in pomožnih snovi mi v vzorcih zaradi premajhnega deleža ali prisotne amorfne faze ni uspelo identificirati. Navedene deklaracije vzorcev in identificirane snovi so se po pričakovanjih med seboj ujemale. Prav tako me je zanimalo, kolikšen delež tablete sestavlja zdravilna učinkovina in kolikšen delež pomožne snovi, zato sem vse vzorce stehtala na analitski tehtnici in preko pridobljenih mas ter znanih mas zdravilnih učinkovin izračunala masne deleže. Posledično sem iz dobljenih masnih deležev ugotovila, da večji kot je masni delež snovi v tableti, lepše so izrisani vrhovi snovi na difraktogramih.

• Language: Slovenian
• Keywords: zdravila proti depresiji, rentgenska praškovna difrakcija, difraktogram, kvalitativna fazna analiza
• Work type: Bachelor thesis/paper
• Typology: 2.11 - Undergraduate Thesis
• Organization: FKKT - Faculty of Chemistry and Chemical Technology
• Year: 2021
• PID: 20.500.12556/RUL-124474
• COBISS.SI-ID: 48668931
• Publication date in RUL: 25.01.2021

OZMEC, Diana, 2021, Rentgenska praškovna difrakcija zdravil proti depresiji [online]. Bachelor’s thesis. [Accessed 14 April 2025]. Retrieved from: https://repozitorij.uni-lj.si/IzpisGradiva.php?lang=eng&id=124474

Secondary language

• Language: English
• Title: X-ray powder diffraction of antidepression drugs

Abstract

X-ray powder diffraction can be used to characterize substances with a crystalline composition. For each crystalline substance there is an unique diffractogram, which is also the result of this method and allows further qualitative analysis. In my diploma work, I analysed nineteen samples of antidepressants with the computer programs X’Pert HighScore Plus, CSM, ConQuest, CSD and Mercury. With the X’Pert HighScore Plus program, I compared the samples with each other and obtained data on the present crystalline and amorphous phases. I have found that some diffraction patterns with the same active substance are similar to each other, but some are also different. This means that they contain different auxiliary substances. Medicines containing smaller proportions of active substance may match with the peaks of the same auxiliary substance. One of the main purposes was to identify substances in samples and compare them with the substances listed in the declaration. The identification of the compounds was made using the CSM program. ConQuest program, CSD and Mercury were used to determine active substances that the CSM program could not determine. Due to too small a proportion or the presence of amorphous phase, I was unable to identify some active substances and auxiliary substances in the samples. Listed sample declarations and identified substances, as expected, matched each other. I was also interested what fraction of the tablet the active substance represents and what is the fraction of the auxiliary substances. Therefore I weighed all the samples on an analytical balance and calculated the mass fractions from the obtained masses and known masses of active substances. As a result, I found that the higher the mass fraction of the substance in the tablet, the better the peaks of the substance are resolved in the diffraction patterns.

• Keywords: antidepression drugs, X-ray powder diffraction, diffraction pattern, qualitative phase analysis