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

Avram, L., Havel, V., Shusterman-Krush, R., Iron, M., Zaiss, M., Sindelar, V., et al. (2019). Dynamic Interactions in Synthetic Receptors: A Guest Exchange Saturation Transfer Study. Chemistry – A European Journal, 25(7), 1687-1690. doi:10.1002/chem.201805973.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0002-B3B0-C Version Permalink: http://hdl.handle.net/21.11116/0000-0002-E961-A
Genre: Journal Article

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 Creators:
Avram, L, Author
Havel, V, Author
Shusterman-Krush, R, Author
Iron, M, Author
Zaiss, M1, 2, Author              
Sindelar, V, Author
Bar-Shir, A, Author
Affiliations:
1Department High-Field Magnetic Resonance, Max Planck Institute for Biological Cybernetics, Max Planck Society, ou_1497796              
2Max Planck Institute for Biological Cybernetics, Max Planck Society, Spemannstrasse 38, 72076 Tübingen, DE, ou_1497794              

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 Abstract: 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, we demonstrate 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. We show that the exchange rates of BF4‐ are mediated by the side chains on the receptor (100 s 1<kex<5000 s 1), which play a critical role in receptor‐anion binding dynamics. The signal amplification obtained with this approach allows us to identify 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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 Dates: 2018-122019-02
 Publication Status: Published in print
 Pages: -
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 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1002/chem.201805973
 Degree: -

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Title: Chemistry – A European Journal
  Other : Chem. – Eur. J.
  Other : Chem. Eur. J.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 25 (7) Sequence Number: - Start / End Page: 1687 - 1690 Identifier: ISSN: 0947-6539
CoNE: https://pure.mpg.de/cone/journals/resource/954926979058