Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and Experiment
In this short review, recent findings from both theory and experiment regarding the process of hydration of α-, β-, and γ-cyclodextrins are summarized and critically assessed. Key important questions are addressed, including: What factors govern the number of water molecules entrapped in the interna...
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| Format: | Article |
| Language: | English |
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MDPI AG
2025-01-01
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| Series: | Inorganics |
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| Online Access: | https://www.mdpi.com/2304-6740/13/1/28 |
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| author | Silvia Angelova Stiliyana Pereva Todor Dudev Tony Spassov |
| author_facet | Silvia Angelova Stiliyana Pereva Todor Dudev Tony Spassov |
| author_sort | Silvia Angelova |
| collection | DOAJ |
| description | In this short review, recent findings from both theory and experiment regarding the process of hydration of α-, β-, and γ-cyclodextrins are summarized and critically assessed. Key important questions are addressed, including: What factors govern the number of water molecules entrapped in the internal cavity of the host macrocycle? What is the driving force behind this process? What are the “hot spots” for water entrapment inside the host cavity? What is the underlying mechanism of water hydration and dehydration of cyclodextrins? What is the role of the confined water cluster in determining the outcome of the host–guest complexation between cyclodextrins and molecules of inorganic/organic nature? To what extent does water hydration affect the crystalline structure of the cavitand? |
| format | Article |
| id | doaj-art-885406864d764aad85af8cbec4872f70 |
| institution | Kabale University |
| issn | 2304-6740 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Inorganics |
| spelling | doaj-art-885406864d764aad85af8cbec4872f702025-01-24T13:35:32ZengMDPI AGInorganics2304-67402025-01-011312810.3390/inorganics13010028Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and ExperimentSilvia Angelova0Stiliyana Pereva1Todor Dudev2Tony Spassov3Institute of Optical Materials and Technologies “Acad. J. Malinowski”, Bulgarian Academy of Sciences, 1113 Sofia, BulgariaFaculty of Chemistry and Pharmacy, Sofia University “St. Kliment Ohridski”, 1164 Sofia, BulgariaFaculty of Chemistry and Pharmacy, Sofia University “St. Kliment Ohridski”, 1164 Sofia, BulgariaFaculty of Chemistry and Pharmacy, Sofia University “St. Kliment Ohridski”, 1164 Sofia, BulgariaIn this short review, recent findings from both theory and experiment regarding the process of hydration of α-, β-, and γ-cyclodextrins are summarized and critically assessed. Key important questions are addressed, including: What factors govern the number of water molecules entrapped in the internal cavity of the host macrocycle? What is the driving force behind this process? What are the “hot spots” for water entrapment inside the host cavity? What is the underlying mechanism of water hydration and dehydration of cyclodextrins? What is the role of the confined water cluster in determining the outcome of the host–guest complexation between cyclodextrins and molecules of inorganic/organic nature? To what extent does water hydration affect the crystalline structure of the cavitand?https://www.mdpi.com/2304-6740/13/1/28cyclodextrinhydrationdehydration |
| spellingShingle | Silvia Angelova Stiliyana Pereva Todor Dudev Tony Spassov Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and Experiment Inorganics cyclodextrin hydration dehydration |
| title | Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and Experiment |
| title_full | Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and Experiment |
| title_fullStr | Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and Experiment |
| title_full_unstemmed | Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and Experiment |
| title_short | Cyclodextrins’ Internal Cavity Hydration: Insights from Theory and Experiment |
| title_sort | cyclodextrins internal cavity hydration insights from theory and experiment |
| topic | cyclodextrin hydration dehydration |
| url | https://www.mdpi.com/2304-6740/13/1/28 |
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