{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["28(64)"],"submitter":["Li C"],"funding":["A*MIDEX"],"pubmed_abstract":["The globular and monocationic guest molecule trimethyl-azaphosphatrane (AZAP, a protonated Verkade superbase) was shown to form a host:guest 1 : 1 complex with the cucurbit[10]uril (CB[10]) macrocycle in water. Molecular dynamics calculations showed that CB[10] adopts an 8-shape with AZAP occupying the majority of the internal space, CB[10] contracting around AZAP and leaving a significant part of the cavity unoccupied. This residual space was used to co-include planar and monocationic co-guest (CG) molecules, affording heteroternary CB[10]⋅AZAP⋅CG complexes potentially opening new perspectives in supramolecular chemistry."],"journal":["Chemistry (Weinheim an der Bergstrasse, Germany)"],"pagination":["e202201656"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC9826255"],"repository":["biostudies-literature"],"pubmed_title":["Sequential Formation of Heteroternary Cucurbit[10]uril (CB[10]) Complexes."],"pmcid":["PMC9826255"],"pubmed_authors":["Bardelang D","Li C","Manick AD","Liu S","Broggi J","Zhao Y","Siri D","Gigmes D","Rosas R","Chatelet B","Charles L","Martinez A","Monnier V","Liu F","Kermagoret A"],"additional_accession":[]},"is_claimable":false,"name":"Sequential Formation of Heteroternary Cucurbit[10]uril (CB[10]) Complexes.","description":"The globular and monocationic guest molecule trimethyl-azaphosphatrane (AZAP, a protonated Verkade superbase) was shown to form a host:guest 1 : 1 complex with the cucurbit[10]uril (CB[10]) macrocycle in water. Molecular dynamics calculations showed that CB[10] adopts an 8-shape with AZAP occupying the majority of the internal space, CB[10] contracting around AZAP and leaving a significant part of the cavity unoccupied. This residual space was used to co-include planar and monocationic co-guest (CG) molecules, affording heteroternary CB[10]⋅AZAP⋅CG complexes potentially opening new perspectives in supramolecular chemistry.","dates":{"release":"2022-01-01T00:00:00Z","publication":"2022 Nov","modification":"2026-03-27T15:40:14.926Z","creation":"2025-04-05T10:27:14.512Z"},"accession":"S-EPMC9826255","cross_references":{"pubmed":["35980006"],"doi":["10.1002/chem.202201656"]}}