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New methylene specific experiments for the measurement of scalar spin-spin coupling constants between protons attached to 13C

  • T Carlomagno
  • , H Schwalbe
  • , A Rexroth
  • , O W Sorensen
  • , C Griesinger

Research output: Contribution to journalArticlepeer-review

Abstract

New two- and three-dimensional NMR methods are proposed for the measurement of 3J(H, H) coupling constants between two adjacent methylene moieties. The new experiment, which is based on a combination of the E.COSY principle and double/zero quantum heteronuclear spectroscopy, has been applied to diaceton-glucose and to the protein rhodniin. The coupling constants of CH-CH2 groups have been compared with those obtained from a HCCH-E.COSY experiment to check the reliability of the results. An analysis of the coupling constants derived by comparison between experimental and simulated spectra is presented. Simulations were done with the program wtest considering fully correlated dipolar relaxation. Side-chain conformations in amino acids with adjacent methylene groups can be determined by the new experiment.

Original languageEnglish
Pages (from-to)216-26
Number of pages11
JournalJournal of Magnetic Resonance
Volume135
Issue number1
DOIs
Publication statusPublished - Nov 1998

Bibliographical note

Copyright 1998 Academic Press.

Keywords

  • Carbon Isotopes
  • Hydrocarbons
  • Image Processing, Computer-Assisted
  • Ion Exchange
  • Magnetic Resonance Spectroscopy
  • Methane/analogs & derivatives
  • Models, Molecular
  • Protons

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