Malloni, Wilhelm M. and De Sanctis, Silvia and Tome, Ana M. and Lang, Elmar W. and Munte, Claudia E. and Neidig, Klaus Peter and Kalbitzer, Hans Robert (2010) Automated solvent artifact removal and base plane correction of multidimensional NMR protein spectra by AUREMOL-SSA. JOURNAL OF BIOMOLECULAR NMR, 47 (2). pp. 101-111. ISSN 0925-2738, 1573-5001
Full text not available from this repository. (Request a copy)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 H-1,C-13-HCCH-TOCSY spectrum. It can also be applied to frequency domain spectra since an optional inverse Fourier transformation is included in the algorithm.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | TWO-DIMENSIONAL NMR; SINGULAR-VALUE DECOMPOSITION; PEAK SUPPRESSION; SPECTROSCOPY; SIGNALS; QUANTIFICATION; DISTORTIONS; RESONANCES; FREQUENCY; DOMAIN; AUREMOL-SSA; Multidimensional NMR; Singular spectrum analysis; Solvent suppression; Base plane correction |
| Subjects: | 500 Science > 570 Life sciences |
| Divisions: | Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Dr. Hans Robert Kalbitzer Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Elmar Lang |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 29 Jul 2020 08:07 |
| Last Modified: | 29 Jul 2020 08:07 |
| URI: | https://pred.uni-regensburg.de/id/eprint/24626 |
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