Abstract
In this work, the nuclear magnetic resonance (NMR) and IR spectroscopic markers of the complexation between 5-fluorouracil (5-FU) and β-cyclodextrin (β-CD) in solid state and in aqueous solution are investigated. In the attenuated total reflectance(ATR) spectra of 5-FU/β-CD products obtained by physical mixing, kneading and co-precipitation, we have identified the two most promising marker bands that could be used to detect complex formations: the C=O and C-F stretching bands of 5-FU that experience a blue shift by ca. 8 and 2 cm-1 upon complexation. The aqueous solutions were studied by NMR spectroscopy. As routine NMR spectra did not show any signs of complexation, we have analyzed the diffusion attenuation of spin-echo signals and the dependence of the population factor of slowly diffusing components on the diffusion time (diffusion NMR of pulsed-field gradient (PFG) NMR). The analysis has revealed that, at each moment, ~60% of 5-FU molecules form a complex with β-CD and its lifetime is ca. 13.5 ms. It is likely to be an inclusion complex, judging from the independence of the diffusion coefficient of β-CD on complexation. The obtained results could be important for future attempts of finding better methods of targeted anticancer drug delivery.
Originalsprache | englisch |
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Aufsatznummer | 5706 |
Seitenumfang | 18 |
Fachzeitschrift | Molecules |
Jahrgang | 25 |
Ausgabenummer | 23 |
DOIs | |
Publikationsstatus | Veröffentlicht - 3 Dez. 2020 |
ASJC Scopus subject areas
- Wirkstoffforschung
- Analytische Chemie
- Chemie (sonstige)
- Molekularmedizin
- Physikalische und Theoretische Chemie
- Pharmazeutische Wissenschaften
- Organische Chemie
Fields of Expertise
- Advanced Materials Science
Treatment code (Nähere Zuordnung)
- Basic - Fundamental (Grundlagenforschung)
- Experimental
- Theoretical