Automated solvent artifact removal and base plane correction of multidimensional NMR
 

Abstract Strong solvent signals lead to a disappearance of weak protein signals close to the solvent resonance frequency and to base plane variations all over the spectrum. AUREMOL-SSA provides an automated approach for solvent artifact removal from multidimensional NMR protein spectra. Its core algorithm is based on singular spectrum analysis (SSA) in the time domain and is combined with an automated base plane correction in the frequency domain. The performance of the method has been tested on synthetic and experimental spectra including two-dimensional NOESY and TOCSY spectra and a three-dimensional 1H,13C-HCCH-TOCSY spectrum. It can also be applied to frequency domain spectra since an optional inverse Fourier transformation is included in the algorithm.

• Content Type Journal Article
• DOI 10.1007/s10858-010-9414-z
• Authors
  • Wilhelm M. Malloni, University of Regensburg Institute of Biophysics and Physical Biochemistry 93040 Regensburg Germany
  • Silvia De Sanctis, University of Regensburg Institute of Biophysics and Physical Biochemistry 93040 Regensburg Germany
  • Ana M. Tomé, University of Aveiro Department Electrical Engineering, Telecommunications and Informatics 3100 Aveiro Portugal
  • Elmar W. Lang, University of Regensburg Institute of Biophysics and Physical Biochemistry 93040 Regensburg Germany
  • Claudia E. Munte, University of Regensburg Institute of Biophysics and Physical Biochemistry 93040 Regensburg Germany
  • Klaus Peter Neidig, BioSpin GmbH, Software Department Silberstreifen 4 76287 Rheinstetten Germany
  • Hans Robert Kalbitzer, University of Regensburg Institute of Biophysics and Physical Biochemistry 93040 Regensburg Germany

• • Journal Journal of Biomolecular NMR
  • Online ISSN 1573-5001
  • Print ISSN 0925-2738
  • Journal Volume Volume 47
  • Journal Issue Volume 47, Number 2

Source: Journal of Biomolecular NMR