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Updated: Jul 30, 2025
10:10
Transport Properties of Ibuprofen Encapsulated in Cyclodextrin Nanosponge Hydrogels: A Proton HR-MAS NMR Spectroscopy Study
Published on: August 15, 2016
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17-β-Estradiol-β-Cyclodextrin Complex as Solid: Synthesis, Structural and Physicochemical Characterization
Anna Helena Mazurek1,2, Łukasz Szeleszczuk1, Kostas Bethanis3
1Department of Organic and Physical Chemistry, Faculty of Pharmacy, Medical University of Warsaw, Banacha 1 Str., 02-093 Warsaw, Poland.
Molecules (Basel, Switzerland)
|May 13, 2023
Summary
This study developed cyclodextrin (CD) inclusion complexes to improve the water solubility and bioavailability of 17-β-estradiol (EST). The research determined the crystal structure of the complex, offering insights into drug delivery systems.
Area of Science:
- Pharmaceutical Sciences
- Materials Science
- Solid-State Chemistry
Background:
- 17-β-estradiol (EST) is a potent estrogen with pharmaceutical applications.
- Low water solubility of EST limits its oral bioavailability.
- Cyclodextrin (CD) complexation is a strategy to enhance drug solubility.
Purpose of the Study:
- To prepare and characterize host-guest inclusion complexes of β-cyclodextrin (β-CD) and 17-β-estradiol (EST).
- To determine the crystal structure of the EST/β-CD complex.
- To investigate the utility of combined solid-state NMR and X-ray crystallography for studying cyclodextrin inclusion complexes.
Main Methods:
- Preparation of EST/β-CD inclusion complexes via four different methods.
- Characterization using solid-state 13C CP MAS NMR, PXRD, FT-IR, TGA, DSC, and SEM.
- Crystal structure determination using single-crystal X-ray diffraction (SCXRD).
- Periodic Density Functional Theory (DFT) calculations for NMR property analysis.
Main Results:
- Successful preparation of EST/β-CD inclusion complexes.
- Determination of the first solved crystal structure of an estrogen/CD complex.
- Solid-state NMR and SCXRD provided complementary structural information.
- DFT calculations aided in interpreting NMR data and understanding solid-state disorder.
Conclusions:
- Complexation with β-CD effectively addresses the solubility issues of 17-β-estradiol.
- The combined ssNMR/SCXRD approach is crucial for elucidating the structure of cyclodextrin inclusion complexes.
- This study provides a foundation for developing improved EST drug delivery systems.
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