Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study

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Year of publication 2019
Type Article in Periodical
Magazine / Source Chemistry - A European Journal
MU Faculty or unit

Faculty of Science

Web Full Text
Doi http://dx.doi.org/10.1002/chem.201805973
Keywords binding dynamic; GEST; host-guest; NMR spectroscopy; supramolecular chemistry
Description The accumulated knowledge regarding molecular architectures is based on established, reliable, and accessible analytical tools that provide robust structural and functional information on assemblies. However, both the dynamicity and low population of noncovalently interacting moieties within studied molecular systems limit the efficiency and accuracy of traditional methods. Herein, the use of a saturation transfer-based NMR approach to study the dynamic binding characteristics of an anion to a series of synthetic receptors derived from bambusuril macrocycles is demonstrated. The exchange rates of BF4- are mediated by the side chains on the receptor (100 s(-1) < k(ex) < 5000 s(-1)), which play a critical role in receptor-anion binding dynamics. The signal amplification obtained with this approach allows for the identification of different types of intermolecular interactions between the receptor and the anion, something that could not have been detected by techniques hitherto used to study molecular assemblies. These findings, which are supported by a computational molecular dynamic study, demonstrate the uniqueness and added value of this NMR method.
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