Cooperative Binding
of Cucurbit[<i>n</i>]urils and β‑Cyclodextrin
to Heteroditopic Imidazolium-Based
Guests
Petra Branná
Jarmila Černochová
Michal Rouchal
Petr Kulhánek
Martin Babinský
Radek Marek
Marek Nečas
Ivo Kuřitka
Robert Vícha
10.1021/acs.joc.6b01564.s002
https://acs.figshare.com/articles/dataset/Cooperative_Binding_of_Cucurbit_i_n_i_urils_and_Cyclodextrin_to_Heteroditopic_Imidazolium-Based_Guests/3987156
Imidazolium-based
guests containing two distinct binding epitopes
are capable of binding β-cyclodextrin and cucurbit[6/7]uril
(CB) simultaneously to form heteroternary 1:1:1 inclusion complexes.
In the final configuration, the hosts occupy binding sites disfavored
in the binary complexes because of the chemically induced reorganization
of the intermediate 1:1 aggregate. In addition, the reported guests
are capable of binding two CBs to form either 1:2 or 1:1:1 ternary
assemblies despite consisting of a single cationic moiety. Whereas
the adamantane site binds CB solely via hydrophobic interactions,
the CB unit at the butyl site is stabilized by a combination of hydrophobic
and ion–dipole interactions.
2016-09-23 00:00:00
binding epitopes
CB unit
binding sites
complex
binding β- cyclodextrin
Heteroditopic Imidazolium-Based Guests Imidazolium-based guests
cationic moiety
interaction
adamantane site
butyl site
Cooperative Binding