Communication

EASY ROESY: Reliable Cross-Peak Integration in Adiabatic Symmetrized ROESY

  1. Christina M. Thiele Dr.1,
  2. Katja Petzold Dipl.-Biochem.2,
  3. Jürgen Schleucher Prof. Dr.2

Article first published online: 9 DEC 2008

DOI: 10.1002/chem.200802027

Issue

Chemistry - A European Journal

Chemistry - A European Journal

Volume 15, Issue 3, pages 585–588, January 5, 2009

Additional Information

How to Cite

Thiele, Christina M., Petzold, K. and Schleucher, J. (2009), EASY ROESY: Reliable Cross-Peak Integration in Adiabatic Symmetrized ROESY. Chem. Eur. J., 15: 585–588. doi: 10.1002/chem.200802027

Author Information

  1. 1

    Technische Universität Darmstadt, Clemens Schöpf Institut für Organische Chemie und Biochemie, Petersenstr. 22, 64287 Darmstadt (Germany), Fax: (+49) 6151-5531

  2. 2

    Umeå University, Medical Biochemistry and Biophysics, 90187 Umeå (Sweden), Fax: (+46) 90-7869795

Publication History

  1. Issue published online: 29 DEC 2008
  2. Article first published online: 9 DEC 2008
  3. Manuscript Received: 3 NOV 2008

Funded by

  • DFG. Grant Number: Emmy Noether programme, TH115/3-1

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Keywords:

  • distance constraints;
  • EASY ROESY;
  • NMR spectroscopy;
  • structure elucidation
Thumbnail image of graphical abstract

Estimates of intramolecular distances are essential for structure determination (see figure). For medium-sized molecules, ROESY NMR spectroscopy is the method of choice for obtaining distances. However, the integration of ROESY cross-peaks is problematic, owing to the offset dependence of the integrals and/or TOCSY artefacts. We here present EASY ROESY (Efficient Adiabatic SYmmetrized ROESY), which yields reliable intramolecular distances without a sample-specific setup.

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