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
Sequence correction of random coil chemical shifts: correlation between neighbor correction factors and changes in the Ramachandran distribution
Sequence correction of random coil chemical shifts: correlation between neighbor correction factors and changes in the Ramachandran distribution
Abstract Random coil chemical shifts are necessary for secondary chemical shift analysis, which is the main NMR method for identification of secondary structure in proteins. One of the largest challenges in the determination of random coil chemical shifts is accounting for the effect of neighboring residues. The contributions from the neighboring residues are typically removed by using neighbor correction factors determined based on each...
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06-06-2011 12:53 AM
Singular spectrum analysis for an automated solvent artifact removal and baseline correction of 1D NMR spectra.
Singular spectrum analysis for an automated solvent artifact removal and baseline correction of 1D NMR spectra.
Singular spectrum analysis for an automated solvent artifact removal and baseline correction of 1D NMR spectra.
J Magn Reson. 2011 Mar 6;
Authors: De Sanctis S, Malloni WM, Kremer W, Tomé AM, Lang EW, Neidig KP, Kalbitzer HR
NMR spectroscopy in biology and medicine is generally performed in aqueous solutions, thus in (1)H NMR spectroscopy, the dominant signal often stems from the partly suppressed solvent and can be many orders of...
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04-05-2011 10:22 PM
[NMR paper] Reconstruction of the three-dimensional NMR spectrum of a protein from a set of plane
Reconstruction of the three-dimensional NMR spectrum of a protein from a set of plane projections.
Related Articles Reconstruction of the three-dimensional NMR spectrum of a protein from a set of plane projections.
J Biomol NMR. 2003 Dec;27(4):383-7
Authors: Kupce E, Freeman R
Three-dimensional protein NMR spectra can be obtained significantly faster than by traditional methods by a projection-reconstruction procedure related to X-ray tomography. First, two orthogonal projections are acquired in quick two-dimensional experiments with the...
[Question from NMRWiki Q&A forum] How to fix the broad antiphase artifact after SOL function in nmrPipe?
How to fix the broad antiphase artifact after SOL function in nmrPipe?
Hi, we've tried to apply SOL function of nmrPipe to process a 3D 13C edited NOESY. and the result is a wide antiphase-looking peak on water resonance that strongly distorts the baseline.
Would you have any idea what might be causing this? First image is a screenshot of data using SOL processing step and the second one was prepared without SOL.
Thanks.
http://qa.nmrwiki.org/upfiles/12853514685812478.png
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09-24-2010 07:36 PM
[NMR paper] Removal of zero-quantum coherence in protein NMR spectra using SESAM decoupling and s
Removal of zero-quantum coherence in protein NMR spectra using SESAM decoupling and suppression of decoupling sidebands.
Related Articles Removal of zero-quantum coherence in protein NMR spectra using SESAM decoupling and suppression of decoupling sidebands.
J Magn Reson B. 1996 Feb;110(2):219-24
Authors: Weigelt J, Hammarstroem A, Bermel W, Otting G
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08-22-2010 02:27 PM
[Question from NMRWiki Q&A forum] How does removal and re-installation of probe affect shims?
How does removal and re-installation of probe affect shims?
If you remove and later (not too much later) reinstall the probe and you are confident that probe position inside the magnet does not change at all - would you expect the shim set to change?
Do eddy currents due to probe movement affect field homogeneity?
Thanks.
Automated solvent artifact removal and base plane correction of multidimensional NMR
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