A curved host and second guest cooperatively inhibit the dynamic motion of corannulene

Yang Yang, Tanya K. Ronson, Zifei Lu, Jieyu Zheng, Nicolas Vanthuyne, Alexandre Martinez and Jonathan R. Nitschke ()
Additional contact information
Yang Yang: University of Cambridge
Tanya K. Ronson: University of Cambridge
Zifei Lu: University of Cambridge
Jieyu Zheng: University of Cambridge
Nicolas Vanthuyne: Aix Marseille Univ, CNRS, Centrale Marseille, iSm2
Alexandre Martinez: Aix Marseille Univ, CNRS, Centrale Marseille, iSm2
Jonathan R. Nitschke: University of Cambridge

Nature Communications, 2021, vol. 12, issue 1, 1-8

Abstract: Abstract Biomolecular systems show how host–guest binding can induce changes in molecular behavior, which in turn impact the functions of the system. Here we report an artificial host–guest system where dynamic adaptation during guest binding alters both host conformation and guest dynamics. The self-assembled cage host employed here possesses concave walls and a chirotopic cavity. Complementarity between the curved surfaces of fullerenes and the inner surface of the host cavity leads the host to reconfigure stereochemically in order to bind these guests optimally. The curved molecule corannulene undergoes rapid bowl-to-bowl inversion at room temperature. Its inversion barrier is increased upon binding, however, and increased further upon formation of a ternary complex, where corannulene and a cycloalkane are both bound together. The chiral nature of the host also leads to clear differences in the NMR spectra of ternary complexes involving corannulene and one or the other enantiomer of a chiral guest, which enables the determination of enantiomeric excess by NMR.

Date: 2021
References: Add references at CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41467-021-24344-w Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:12:y:2021:i:1:d:10.1038_s41467-021-24344-w

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-021-24344-w

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().