Abstract Non-uniform sampling (NUS) enables recording of multidimensional NMR data at resolutions matching the resolving power of modern instruments without using excessive measuring time. However, in order to obtain satisfying results, efficient reconstruction methods are needed. Here we describe an optimized version of the Forward Maximum entropy (FM) reconstruction method, which can reconstruct up to three indirect dimensions. For complex datasets, such as NOESY spectra, the performance of the procedure is enhanced by a distillation procedure that reduces artifacts stemming from intense peaks.
Content Type Journal Article
Pages 283-294
DOI 10.1007/s10858-009-9368-1
Authors
Sven G. Hyberts, Harvard Medical School Department of Biological Chemistry and Molecular Pharmacology 240 Longwood Avenue Boston MA 02115 USA
Dominique P. Frueh, Harvard Medical School Department of Biological Chemistry and Molecular Pharmacology 240 Longwood Avenue Boston MA 02115 USA
Haribabu Arthanari, Harvard Medical School Department of Biological Chemistry and Molecular Pharmacology 240 Longwood Avenue Boston MA 02115 USA
Gerhard Wagner, Harvard Medical School Department of Biological Chemistry and Molecular Pharmacology 240 Longwood Avenue Boston MA 02115 USA
Application of iterative soft thresholding for fast reconstruction of NMR data non-uniformly sampled with multidimensional Poisson Gap scheduling
Application of iterative soft thresholding for fast reconstruction of NMR data non-uniformly sampled with multidimensional Poisson Gap scheduling
Abstract The fast Fourier transformation has been the gold standard for transforming data from time to frequency domain in many spectroscopic methods, including NMR. While reliable, it has as a drawback that it requires a grid of uniformly sampled data points. This needs very long measuring times for sampling in multidimensional experiments in all indirect dimensions uniformly and even does not allow reaching optimal evolution times that would...
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02-16-2012 05:24 AM
Compressed sensing and the reconstruction of ultrafast 2D NMR data: Principles and biomolecular applications.
Compressed sensing and the reconstruction of ultrafast 2D NMR data: Principles and biomolecular applications.
Compressed sensing and the reconstruction of ultrafast 2D NMR data: Principles and biomolecular applications.
J Magn Reson. 2011 Apr;209(2):352-8
Authors: Shrot Y, Frydman L
A topic of active investigation in 2D NMR relates to the minimum number of scans required for acquiring this kind of spectra, particularly when these are dictated by sampling rather than by sensitivity considerations. Reductions in this minimum number of scans have...
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07-23-2011 08:54 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
[NMR paper] Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors.
Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors.
Related Articles Strategies for the NMR-based identification and optimization of allosteric protein kinase inhibitors.
Chembiochem. 2005 Sep;6(9):1607-10
Authors: Jahnke W, Blommers MJ, Fernández C, Zwingelstein C, Amstutz R
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12-01-2010 06:56 PM
[NMR paper] Identification and optimization of protein domains for NMR studies.
Identification and optimization of protein domains for NMR studies.
Related Articles Identification and optimization of protein domains for NMR studies.
Methods Enzymol. 2005;394:3-16
Authors: Card PB, Gardner KH
The success of genomic sequencing projects in recent years has presented protein scientists with a formidable challenge in characterizing the vast number of gene products that have subsequently been identified. NMR has proven to be a valuable tool in the elucidation of various properties for many of these proteins, allowing versatile...
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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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[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...