Probing the Na+ binding site in a calix[4]arene–guanosine conjugate dimer by solid-state 23Na NMR and quantum chemical calculation

Alan Wong; Frank W. Kotch; Irene C. M. Kwan; Jeffery T. Davis; Gang Wu

doi:10.1039/B900442D

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Probing the Na⁺ binding site in a calix[4]arene–guanosine conjugate dimer by solid-state ²³Na NMR and quantum chemical calculation†

Alan Wong,^ab Frank W. Kotch,^c Irene C. M. Kwan,^a Jeffery T. Davis^c and Gang Wu*^a

Author affiliations

* Corresponding authors

^a Department of Chemistry, Queen’s University, 90 Bader Lane, Kingston, Ontario, Canada
E-mail: gang.wu@chem.queensu.ca
Tel: +1 613 533 2644

^b CEA Saclay/DSM/DRECAM/SCM CNRS URA 331, Gif-sur-Yvette, France

^c Department of Chemistry and Biochemistry, University of Maryland, College Park, USA
E-mail: jdavis@umd.edu
Tel: +1 301 405 1845

Abstract

Using solid-state ²³Na NMR and quantum chemical calculations we have found that the Na⁺ ion bound to a calix[4]arene–guanosine conjugate dimer resides slightly above the G-quartet plane and simultaneously coordinates to a water molecule in a square-pyramidal (penta-coordination) geometry.

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Supplementary files

¹H NMR spectra of CG in DMSO and (CG)₂·NaCl in CDCl₃. Experimental and simulated solid-state ²³Na NMR spectra of (CG)₂·NaBr·(H₂O)_n. Comparison between solid-state Na NMR spectra of [d(TG₄T)]₄ and (CG)₂·NaCl·(H₂O)_n. Atomic coordinates in computational models PDF (445K)

Article information

DOI: https://doi.org/10.1039/B900442D
Article type: Communication
Submitted: 12 Jan 2009
Accepted: 24 Feb 2009
First published: 19 Mar 2009

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Chem. Commun., 2009, 2154-2156

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Probing the Na⁺ binding site in a calix[4]arene–guanosine conjugate dimer by solid-state ²³Na NMR and quantum chemical calculation

A. Wong, F. W. Kotch, I. C. M. Kwan, J. T. Davis and G. Wu, Chem. Commun., 2009, 2154 DOI: 10.1039/B900442D

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