Literature DB >> 20414700

Automated solvent artifact removal and base plane correction of multidimensional NMR protein spectra by AUREMOL-SSA.

Wilhelm M Malloni1, Silvia De Sanctis, Ana M Tomé, Elmar W Lang, Claudia E Munte, Klaus Peter Neidig, Hans Robert Kalbitzer.   

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 (1)H,(13)C-HCCH-TOCSY spectrum. It can also be applied to frequency domain spectra since an optional inverse Fourier transformation is included in the algorithm.

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Year:  2010        PMID： 20414700     DOI： 10.1007/s10858-010-9414-z

Source DB:  PubMed          Journal:  J Biomol NMR        ISSN： 0925-2738            Impact factor:   2.835


  12 in total

1.  Accurate quantification of (1)H spectra: from finite impulse response filter design for solvent suppression to parameter estimation.

Authors:  T Sundin; L Vanhamme; P Van Hecke; I Dologlou; S Van Huffel
Journal:  J Magn Reson       Date:  1999-08       Impact factor: 2.229

2.  The filtering approach to solvent peak suppression in MRS: a critical review.

Authors:  A Coron; L Vanhamme; J P Antoine; P Van Hecke; S Van Huffel
Journal:  J Magn Reson       Date:  2001-09       Impact factor: 2.229

3.  WAVEWAT-improved solvent suppression in NMR spectra employing wavelet transforms.

Authors:  Ulrich L Günther; Christian Ludwig; Heinz Rüterjans
Journal:  J Magn Reson       Date:  2002-05       Impact factor: 2.229

4.  Improved simulation of NOESY spectra by RELAX-JT2 including effects of J-coupling, transverse relaxation and chemical shift anisotrophy.

Authors:  Andreas Ried; Wolfram Gronwald; Jochen M Trenner; Konrad Brunner; Klaus-Peter Neidig; Hans Robert Kalbitzer
Journal:  J Biomol NMR       Date:  2004-10       Impact factor: 2.835

5.  On the use of simulated annealing to automatically assign decorrelated components in second-order blind source separation.

Authors:  M Bohm; K Stadlthanner; P Gruber; F J Theis; E W Lang; A M Tome; A R Teixeira; W Gronwald; H R Kalbitzer
Journal:  IEEE Trans Biomed Eng       Date:  2006-05       Impact factor: 4.538

6.  Chemical shift optimization in multidimensional NMR spectra by AUREMOL-SHIFTOPT.

Authors:  Kumaran Baskaran; Renate Kirchhöfer; Fritz Huber; Jochen Trenner; Konrad Brunner; Wolfram Gronwald; Klaus-Peter Neidig; Hans Robert Kalbitzer
Journal:  J Biomol NMR       Date:  2009-02-21       Impact factor: 2.835

7.  Volume 128, Number 1 (1997), in Article No. MN971215 "A Novel Detection-Estimation Scheme for Noisy NMR Signals: Applications to Delayed Acquisition Data," by Yung-Ya Lin, Paul Hodgkinson, Matthias Ernst, and Alexander Pines, pages 30-41:

Authors: 
Journal:  J Magn Reson       Date:  1998-06       Impact factor: 2.229

8.  NMR assignments of oxidised thioredoxin from Plasmodium falciparum.

Authors:  Claudia Elisabeth Munte; Katja Becker; Rolf Heiner Schirmer; Hans Robert Kalbitzer
Journal:  Biomol NMR Assign       Date:  2009-05-08       Impact factor: 0.746

9.  Post-acquisition solvent suppression by singular-value decomposition.

Authors:  G Zhu; D Smith; Y Hua
Journal:  J Magn Reson       Date:  1997-01       Impact factor: 2.229

10.  High-resolution structure of the histidine-containing phosphocarrier protein (HPr) from Staphylococcus aureus and characterization of its interaction with the bifunctional HPr kinase/phosphorylase.

Authors:  Till Maurer; Sebastian Meier; Norman Kachel; Claudia Elisabeth Munte; Sonja Hasenbein; Brigitte Koch; Wolfgang Hengstenberg; Hans Robert Kalbitzer
Journal:  J Bacteriol       Date:  2004-09       Impact factor: 3.490
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