Analysis of non-uniformly sampled spectra with multi-dimensional decomposition
Analysis of non-uniformly sampled spectra with multi-dimensional decomposition
Publication year: 2011
Source:Progress in Nuclear Magnetic Resonance Spectroscopy, Volume 59, Issue 3</br>
Vladislav Yu. Orekhov, Victor A. Jaravine</br>
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03-09-2012 09:16 AM
Suppression of sampling artefacts in high-resolution four-dimensional NMR spectra using Signal Separation Algorithm
Suppression of sampling artefacts in high-resolution four-dimensional NMR spectra using Signal Separation Algorithm
Publication year: 2011
Source: Journal of Magnetic Resonance, Available online 20 October 2011</br>
Jan*Stanek, Rafal*Augustyniak, Wiktor*Ko?mi?ski</br>
The development of non-uniform sampling (NUS) strategies permits to obtain high-dimensional spectra with increased resolution in significantly reduced experimental time. We extended a previously proposed signal separation algorithm (SSA) to process sparse four-dimensional NMR data. It is employed for two experiments...
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10-22-2011 10:16 AM
Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra
Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra
Abstract Nuclear magnetic resonance (NMR) and Mass Spectroscopy (MS) are the two most common spectroscopic analytical techniques employed in metabolomics. The large spectral datasets generated by NMR and MS are often analyzed using data reduction techniques like Principal Component Analysis (PCA). Although rapid, these methods are susceptible to solvent and matrix effects, high rates of false positives, lack of reproducibility and limited data transferability from one platform to the next....
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03-03-2011 02:06 AM
Analysis of non-uniformly sampled spectra with Multi-Dimensional Decomposition
Analysis of non-uniformly sampled spectra with Multi-Dimensional Decomposition
Publication year: 2011
Source: Progress in Nuclear Magnetic Resonance Spectroscopy, In Press, Accepted Manuscript, Available online 24 February 2011</br>
Vladislav Yu., Orekhov , Victor A., Jaravine</br>
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02-26-2011 01:07 PM
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site.
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site.
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site.
Phys Chem Chem Phys. 2010 Nov 14;12(42):13999-4008
Authors: Edwards R, Madine J, Fielding L, Middleton DA
Knowledge of the three-dimensional structure of a ligand in the binding site of its biological...
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02-04-2011 11:34 AM
[NMR paper] Resolving ambiguities in two-dimensional NMR spectra: the 'TILT' experiment.
Resolving ambiguities in two-dimensional NMR spectra: the 'TILT' experiment.
Related Articles Resolving ambiguities in two-dimensional NMR spectra: the 'TILT' experiment.
J Magn Reson. 2005 Feb;172(2):329-32
Authors: Kupce E, Freeman R
Ambiguities in two-dimensional nuclear magnetic resonance spectra due to overlap are usually resolved by recording a three-dimensional version of the experiment. It is shown that a simpler solution is to record a tilted projection of the three-dimensional spectrum, derived by Fourier transformation of the...
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11-24-2010 11:14 PM
[NMR paper] Projection-reconstruction of three-dimensional NMR spectra.
Projection-reconstruction of three-dimensional NMR spectra.
Related Articles Projection-reconstruction of three-dimensional NMR spectra.
J Am Chem Soc. 2003 Nov 19;125(46):13958-9
Authors: Kupce E, Freeman R
When three-dimensional NMR spectra are presented as two stereoscopic images, they create a convincing three-dimensional impression for the viewer. In an extension of this principle, we record plane projections of a three-dimensional spectrum at different angles, and use this limited information to reconstruct the entire spectrum....
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11-24-2010 09:16 PM
[NMR paper] Assignment strategies in homonuclear three-dimensional 1H NMR spectra of proteins.
Assignment strategies in homonuclear three-dimensional 1H NMR spectra of proteins.
Related Articles Assignment strategies in homonuclear three-dimensional 1H NMR spectra of proteins.
Biochemistry. 1990 Feb 20;29(7):1829-39
Authors: Vuister GW, Boelens R, Padilla A, Kleywegt GJ, Kaptein R
The increase in dimensionality of three-dimensional (3D) NMR greatly enhances the spectral resolution in comparison to 2D NMR. It alleviates the problem of resonance overlap and may extend the range of molecules amenable to structure determination by...