DFT-D4 Insight into the Inclusion of Amphetamine and Methamphetamine in Cucurbit[7]uril: Energetic, Structural and Biosensing Properties

The host–guest interactions of cucurbit[7]uril (CB[7]) as host and amphetamine (AMP), methamphetamine (MET) and their enantiomeric forms (S-form and R-form) as guests were computationally investigated using density functional theory calculations with the recent D4 atomic-charge dependent dispersion...

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Detalles Bibliográficos
Autores principales: Litim, Abdelkarim, Belhocine, Youghourta, Benlecheb, Tahar, Ghoniem, Monira Galal, Kabouche, Zoubir, Ali, Fatima Adam Mohamed, Abdulkhair, Babiker Yagoub, Seydou, Mahamadou, Rahali, Seyfeddine
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8705717/
https://www.ncbi.nlm.nih.gov/pubmed/34946564
http://dx.doi.org/10.3390/molecules26247479

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