Literature DB >> 21773916

Data sampling in multidimensional NMR: fundamentals and strategies.

Mark W Maciejewski1, Mehdi Mobli, Adam D Schuyler, Alan S Stern, Jeffrey C Hoch.   

Abstract

Beginning with the introduction of Fourier Transform NMR by Ernst and Anderson in 1966, time domain measurement of the impulse response (free induction decay) consisted of sampling the signal at a series of discrete intervals. For compatibility with the discrete Fourier transform, the intervals are kept uniform, and the Nyquist theorem dictates the largest value of the interval sufficient to avoid aliasing. With the proposal by Jeener of parametric sampling along an indirect time dimension, extension to multidimensional experiments employed the same sampling techniques used in one dimension, similarly subject to the Nyquist condition and suitable for processing via the discrete Fourier transform. The challenges of obtaining high-resolution spectral estimates from short data records were already well understood, and despite techniques such as linear prediction extrapolation, the achievable resolution in the indirect dimensions is limited by practical constraints on measuring time. The advent of methods of spectrum analysis capable of processing nonuniformly sampled data has led to an explosion in the development of novel sampling strategies that avoid the limits on resolution and measurement time imposed by uniform sampling. In this chapter we review the fundamentals of uniform and nonuniform sampling methods in one- and multidimensional NMR.

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Year:  2012        PMID: 21773916      PMCID: PMC6078388          DOI: 10.1007/128_2011_185

Source DB:  PubMed          Journal:  Top Curr Chem        ISSN: 0340-1022


  24 in total

1.  Using NMRView to visualize and analyze the NMR spectra of macromolecules.

Authors:  Bruce A Johnson
Journal:  Methods Mol Biol       Date:  2004

2.  High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection.

Authors:  Hamid R Eghbalnia; Arash Bahrami; Marco Tonelli; Klaas Hallenga; John L Markley
Journal:  J Am Chem Soc       Date:  2005-09-14       Impact factor: 15.419

3.  Removal of a time barrier for high-resolution multidimensional NMR spectroscopy.

Authors:  Victor Jaravine; Ilgis Ibraghimov; Vladislav Yu Orekhov
Journal:  Nat Methods       Date:  2006-08       Impact factor: 28.547

4.  Sampling of the NMR time domain along concentric rings.

Authors:  Brian E Coggins; Pei Zhou
Journal:  J Magn Reson       Date:  2006-10-27       Impact factor: 2.229

5.  Two-dimensional Fourier transform of arbitrarily sampled NMR data sets.

Authors:  Krzysztof Kazimierczuk; Wiktor Koźmiński; Igor Zhukov
Journal:  J Magn Reson       Date:  2006-02-20       Impact factor: 2.229

6.  The program XEASY for computer-supported NMR spectral analysis of biological macromolecules.

Authors:  C Bartels; T H Xia; M Billeter; P Güntert; K Wüthrich
Journal:  J Biomol NMR       Date:  1995-07       Impact factor: 2.835

7.  NMRPipe: a multidimensional spectral processing system based on UNIX pipes.

Authors:  F Delaglio; S Grzesiek; G W Vuister; G Zhu; J Pfeifer; A Bax
Journal:  J Biomol NMR       Date:  1995-11       Impact factor: 2.835

8.  Improved resolution in triple-resonance spectra by nonlinear sampling in the constant-time domain.

Authors:  P Schmieder; A S Stern; G Wagner; J C Hoch
Journal:  J Biomol NMR       Date:  1994-07       Impact factor: 2.835

9.  Poisson-gap sampling and forward maximum entropy reconstruction for enhancing the resolution and sensitivity of protein NMR data.

Authors:  Sven G Hyberts; Koh Takeuchi; Gerhard Wagner
Journal:  J Am Chem Soc       Date:  2010-02-24       Impact factor: 15.419

10.  3D 13C-15N-heteronuclear two-spin coherence spectroscopy for polypeptide backbone assignments in 13C-15N-double-labeled proteins.

Authors:  T Szyperski; G Wider; J H Bushweller; K Wüthrich
Journal:  J Biomol NMR       Date:  1993-01       Impact factor: 2.835

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  18 in total

1.  Enhanced sensitivity by nonuniform sampling enables multidimensional MAS NMR spectroscopy of protein assemblies.

Authors:  Sivakumar Paramasivam; Christopher L Suiter; Guangjin Hou; Shangjin Sun; Melissa Palmer; Jeffrey C Hoch; David Rovnyak; Tatyana Polenova
Journal:  J Phys Chem B       Date:  2012-06-18       Impact factor: 2.991

2.  HN-NCA heteronuclear TOCSY-NH experiment for (1)H(N) and (15)N sequential correlations in ((13)C, (15)N) labelled intrinsically disordered proteins.

Authors:  Christoph Wiedemann; Nishit Goradia; Sabine Häfner; Christian Herbst; Matthias Görlach; Oliver Ohlenschläger; Ramadurai Ramachandran
Journal:  J Biomol NMR       Date:  2015-08-18       Impact factor: 2.835

3.  2D (1)H(N), (15)N Correlated NMR Methods at Natural Abundance for Obtaining Structural Maps and Statistical Comparability of Monoclonal Antibodies.

Authors:  Luke W Arbogast; Robert G Brinson; Trina Formolo; J Todd Hoopes; John P Marino
Journal:  Pharm Res       Date:  2015-10-09       Impact factor: 4.200

4.  Performance tuning non-uniform sampling for sensitivity enhancement of signal-limited biological NMR.

Authors:  Melissa R Palmer; Broc R Wenrich; Phillip Stahlfeld; David Rovnyak
Journal:  J Biomol NMR       Date:  2014-03-29       Impact factor: 2.835

5.  Nonuniform sampling and maximum entropy reconstruction in multidimensional NMR.

Authors:  Jeffrey C Hoch; Mark W Maciejewski; Mehdi Mobli; Adam D Schuyler; Alan S Stern
Journal:  Acc Chem Res       Date:  2014-01-09       Impact factor: 22.384

6.  Formalism for hypercomplex multidimensional NMR employing partial-component subsampling.

Authors:  Adam D Schuyler; Mark W Maciejewski; Alan S Stern; Jeffrey C Hoch
Journal:  J Magn Reson       Date:  2012-11-29       Impact factor: 2.229

7.  TSAR: a program for automatic resonance assignment using 2D cross-sections of high dimensionality, high-resolution spectra.

Authors:  Anna Zawadzka-Kazimierczuk; Wiktor Koźmiński; Martin Billeter
Journal:  J Biomol NMR       Date:  2012-07-18       Impact factor: 2.835

8.  Combining rapid 2D NMR experiments with novel pre-processing workflows and MIC quality measures for metabolomics.

Authors:  Baptiste Féraud; Estelle Martineau; Justine Leenders; Bernadette Govaerts; Pascal de Tullio; Patrick Giraudeau
Journal:  Metabolomics       Date:  2020-03-18       Impact factor: 4.290

9.  Nonuniform sampling of hypercomplex multidimensional NMR experiments: Dimensionality, quadrature phase and randomization.

Authors:  Adam D Schuyler; Mark W Maciejewski; Alan S Stern; Jeffrey C Hoch
Journal:  J Magn Reson       Date:  2015-03-10       Impact factor: 2.229

10.  A 3D time-shared NOESY experiment designed to provide optimal resolution for accurate assignment of NMR distance restraints in large proteins.

Authors:  Subrata H Mishra; Bradley J Harden; Dominique P Frueh
Journal:  J Biomol NMR       Date:  2014-11-09       Impact factor: 2.835

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