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Complexation of biologically essential (mono- and divalent) metal cations to cucurbiturils: a DFT/SMD evaluation of the key factors governing the host–guest recognition

Supramolecular complexes based on classical synthetic macrocyclic host molecules such as cyclodextrins and calixarenes have received much attention recently due to their broad applications as biological and chemical sensors, bioimaging agents, drug delivery carriers, light-emitting materials, etc. C...

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Detalles Bibliográficos
Autores principales: Kircheva, Nikoleta, Dobrev, Stefan, Dasheva, Lyubima, Koleva, Iskra, Nikolova, Valya, Angelova, Silvia, Dudev, Todor
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9055741/
https://www.ncbi.nlm.nih.gov/pubmed/35519129
http://dx.doi.org/10.1039/d0ra04387g