biostudies-literatureUnknown28(64)Li CA*MIDEXThe 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.Chemistry (Weinheim an der Bergstrasse, Germany)e202201656https://www.ebi.ac.uk/biostudies/studies/S-EPMC9826255biostudies-literatureSequential Formation of Heteroternary Cucurbit[10]uril (CB[10]) Complexes.PMC9826255Bardelang DLi CManick ADLiu SBroggi JZhao YSiri DGigmes DRosas RChatelet BCharles LMartinez AMonnier VLiu FKermagoret AfalseSequential Formation of Heteroternary Cucurbit[10]uril (CB[10]) Complexes.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.2022-01-01T00:00:00Z2022 Nov2026-03-27T15:40:14.926Z2025-04-05T10:27:14.512ZS-EPMC98262553598000610.1002/chem.202201656