| Форма представления | Статьи в зарубежных журналах и сборниках |
| Год публикации | 2020 |
| Язык | английский |
|
Мельникова Дарья Леонидовна, автор
Скирда Владимир Дмитриевич, автор
|
|
Толстой Петр Михайлович, автор
|
|
Бадриева Зиля Фирдинасовна, автор
|
| Библиографическое описание на языке оригинала |
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) |
| Аннотация |
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. |
| Ключевые слова |
5-FU; β-CD; inclusion complex; IR; NMR; molecular modeling |
| Название журнала |
Molecules
|
| URL |
https://www.mdpi.com/1420-3049/25/23/5706/pdf |
| Пожалуйста, используйте этот идентификатор, чтобы цитировать или ссылаться на эту карточку |
https://repository.kpfu.ru/?p_id=242984 |
Полная запись метаданных  |
| Поле DC |
Значение |
Язык |
| dc.contributor.author |
Мельникова Дарья Леонидовна |
ru_RU |
| dc.contributor.author |
Скирда Владимир Дмитриевич |
ru_RU |
| dc.contributor.author |
Толстой Петр Михайлович |
ru_RU |
| dc.contributor.author |
Бадриева Зиля Фирдинасовна |
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/?p_id=242984 |
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 |
Статьи в зарубежных журналах и сборниках |
ru_RU |
|
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