Form of presentation | Articles in international journals and collections |
Year of publication | 2020 |
Язык | английский |
|
Melnikova Darya Leonidovna, author
Skirda Vladimir Dmitrievich, author
|
|
Tolstoy Petr Mikhaylovich, author
|
|
Badrieva Zilya Firdinasovna, author
|
Bibliographic description in the original language |
Melnikova Daria L. On Complex Formation between 5-Fluorouracil and β-Cyclodextrin in Solution and in the Solid State: IR Markers and Detection of Short-Lived Complexes by Diffusion NMR / Daria L. Melnikova 1,Zilya F. Badrieva 1,Mikhail A. Kostin 2,Corina Maller 3,Monika Stas 4,Aneta Buczek 4,Malgorzata A. Broda 4OrcID,Teobald Kupka 4,*,Anne-Marie Kelterer 3OrcID,Peter M. Tolstoy 2,*OrcID andVladimir D. Skirda 1,* // Molecules 2020, 25(23), 5706; https://doi.org/10.3390/molecules25235706 (registering DOI) |
Annotation |
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. |
Keywords |
5-FU; β-CD; inclusion complex; IR; NMR; molecular modeling |
The name of the journal |
Molecules
|
URL |
https://www.mdpi.com/1420-3049/25/23/5706/pdf |
Please use this ID to quote from or refer to the card |
https://repository.kpfu.ru/eng/?p_id=242984&p_lang=2 |
Full metadata record |
Field DC |
Value |
Language |
dc.contributor.author |
Melnikova Darya Leonidovna |
ru_RU |
dc.contributor.author |
Skirda Vladimir Dmitrievich |
ru_RU |
dc.contributor.author |
Tolstoy Petr Mikhaylovich |
ru_RU |
dc.contributor.author |
Badrieva Zilya Firdinasovna |
ru_RU |
dc.date.accessioned |
2020-01-01T00:00:00Z |
ru_RU |
dc.date.available |
2020-01-01T00:00:00Z |
ru_RU |
dc.date.issued |
2020 |
ru_RU |
dc.identifier.citation |
Melnikova Daria L. On Complex Formation between 5-Fluorouracil and β-Cyclodextrin in Solution and in the Solid State: IR Markers and Detection of Short-Lived Complexes by Diffusion NMR / Daria L. Melnikova 1,Zilya F. Badrieva 1,Mikhail A. Kostin 2,Corina Maller 3,Monika Stas 4,Aneta Buczek 4,Malgorzata A. Broda 4OrcID,Teobald Kupka 4,*,Anne-Marie Kelterer 3OrcID,Peter M. Tolstoy 2,*OrcID andVladimir D. Skirda 1,* // Molecules 2020, 25(23), 5706; https://doi.org/10.3390/molecules25235706 (registering DOI) |
ru_RU |
dc.identifier.uri |
https://repository.kpfu.ru/eng/?p_id=242984&p_lang=2 |
ru_RU |
dc.description.abstract |
Molecules |
ru_RU |
dc.description.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. |
ru_RU |
dc.language.iso |
ru |
ru_RU |
dc.subject |
|
ru_RU |
dc.title |
On Complex Formation between 5-Fluorouracil and β-Cyclodextrin in Solution and in the Solid State: IR Markers and Detection of Short-Lived Complexes by Diffusion NMR |
ru_RU |
dc.type |
Articles in international journals and collections |
ru_RU |
|