Influence of β-Cyclodextrin Methylation on Host-Guest Complex Stability: A Theoretical Study of Intra- and Intermolecular Interactions as Well as Host Dimer Formation

Understanding the non-covalent interactions in host-guest complexes is crucial to their stability, design and applications. Here, we use density functional theory to compare the ability of β-cyclodextrin (β-CD) and heptakis(2,6-di-O-methyl)-β-cyclodextrin (DM-β-CD) to encapsulate the model guest phe...

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Detalles Bibliográficos
Autores principales: Geue, Niklas, Alcázar, Jackson J., Campodónico, Paola R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10054123/
https://www.ncbi.nlm.nih.gov/pubmed/36985598
http://dx.doi.org/10.3390/molecules28062625

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10054123/
https://www.ncbi.nlm.nih.gov/pubmed/36985598
http://dx.doi.org/10.3390/molecules28062625

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