NDLI: EPR Studies of the Binding Properties, Guest Dynamics, and Inner-Space Dimensions of a Water-Soluble Resorcinarene Capsule

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EPR Studies of the Binding Properties, Guest Dynamics, and Inner-Space Dimensions of a Water-Soluble Resorcinarene Capsule

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Ayhan, Mehmet Menaf Monnier, Valérie Rockenbauer, Antal Hardy, Micaël Tordo, Paul Karoui, Hakim Bardelang, David Casano, Gilles Ouari, Olivier
Description	Author Affiliation: Ayhan MM ( Aix-Marseille Université, CNRS, Institut de Chimie Radicalaire, UMR 7273, 13013 Marseille (France).); Casano G ( Department of Chemistry, Gebze Technical University, P.K.:141, 41400 Gebze, Kocaeli (Turkey).); Karoui H ( Aix-Marseille Université, CNRS, Institut de Chimie Radicalaire, UMR 7273, 13013 Marseille (France).); Rockenbauer A ( Aix-Marseille Université, CNRS, Institut de Chimie Radicalaire, UMR 7273, 13013 Marseille (France).); Monnier V ( Institute of Materials and Environmental Chemistry, Hungarian Academy of Sciences and, Department of Physics, Budapest University of Technology and Economics, Budafoki ut 8, 1111 Budapest (Hungary).); Hardy M ( Aix-Marseille Université, CNRS, Spectropole, FR 1739, 13013 Marseille (France).); Tordo P ( Aix-Marseille Université, CNRS, Institut de Chimie Radicalaire, UMR 7273, 13013 Marseille (France).); Bardelang D ( Aix-Marseille Université, CNRS, Institut de Chimie Radicalaire, UMR 7273, 13013 Marseille (France).); Ouari O ( Aix-Marseille Université, CNRS, Institut de Chimie Radicalaire, UMR 7273, 13013 Marseille (France).)
Abstract	Nitroxide free radicals have been used to study the inner space of one of Rebek’s water-soluble capsules. EPR and $^{1}H NMR$ spectroscopy, ESI-MS, and DFT calculations showed a preference for the formation of 1:2 complexes. EPR titrations allowed us to determine binding constants $(K_{a})$ in the order of $10^{7} M^{−2}.$ EPR spectral-shape analysis provided information on the guest rotational dynamics within the capsule. The interplay between optimum hydrogen bonding upon capsule formation and steric strain for guest accommodation highlights some degree of flexibility for guest inclusion, particularly at the center of the capsule where the hydrogen bond seam can be barely distorted or slightly disturbed.
ISSN	09476539
e-ISSN	15213765
Journal	Chemistry - A European Journal
Issue Number	46
Volume Number	21
Language	English
Publisher	Wiley-VCH;ChemPubSoc Europe
Publisher Date	2015-11-09
Publisher Place	Germany
Access Restriction	Open
Subject Keyword	Chemistry
Content Type	Text
Resource Type	Article
Subject	Organic Chemistry Catalysis

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