Iterative algorithm of discrete Fourier transform for processing randomly sampled NMR data sets

被引：74

作者：

Stanek, Jan ^{[1
]}

Kozminski, Wiktor ^{[1
]}

机构：

[1] Univ Warsaw, Fac Chem, PL-02093 Warsaw, Poland

来源：

JOURNAL OF BIOMOLECULAR NMR | 2010年 / 47卷 / 01期

关键词：

Multidimensional NMR spectroscopy; Fourier transformation; Sparse sampling; Random sampling; NOESY; Proteins; Ubiquitin; FILTER DIAGONALIZATION METHOD; COUPLED EVOLUTION PERIODS; MULTIDIMENSIONAL NMR; REDUCED-DIMENSIONALITY; MAXIMUM-ENTROPY; TIME-DOMAIN; SPECTRAL RECONSTRUCTION; FAST ACQUISITION; RESOLUTION; SPECTROSCOPY;

D O I：

10.1007/s10858-010-9411-2

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

Spectra obtained by application of multidimensional Fourier Transformation (MFT) to sparsely sampled nD NMR signals are usually corrupted due to missing data. In the present paper this phenomenon is investigated on simulations and experiments. An effective iterative algorithm for artifact suppression for sparse on-grid NMR data sets is discussed in detail. It includes automated peak recognition based on statistical methods. The results enable one to study NMR spectra of high dynamic range of peak intensities preserving benefits of random sampling, namely the superior resolution in indirectly measured dimensions. Experimental examples include 3D (15)N- and (13)C-edited NOESY-HSQC spectra of human ubiquitin.

引用

页码：65 / 77

页数：13

共 42 条

[1] [Anonymous], 1994, NUMERICAL RECIPES C
[2] Rapid high-resolution four-dimensional NMR spectroscopy using the filter diagonalization method and its advantages for detailed structural elucidation of oligosaccharides
Armstrong, GS
Mandelshtam, VA
Shaka, AJ
Bendiak, B
[J]. JOURNAL OF MAGNETIC RESONANCE, 2005, 173 (01) : 160 - 168
[3] USE OF CLEAN IN CONJUNCTION WITH SELECTIVE DATA SAMPLING FOR 2-D NMR EXPERIMENTS
BARNA, JCJ
TAN, SM
LAUE, ED
[J]. JOURNAL OF MAGNETIC RESONANCE, 1988, 78 (02): : 327 - 332
[4] An updated set of Basic Linear Algebra Subprograms (BLAS)
Blackford, LS
Demmel, J
Dongarra, J
Duff, I
Hammarling, S
Henry, G
Heroux, M
Kaufman, L
Lumsdaine, A
Petitet, A
Pozo, R
Remington, K
Whaley, RC
[J]. ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE, 2002, 28 (02): : 135 - 151
[5] THE ACCORDION EXPERIMENT, A SIMPLE APPROACH TO 3-DIMENSIONAL NMR-SPECTROSCOPY
BODENHAUSEN, G
ERNST, RR
[J]. JOURNAL OF MAGNETIC RESONANCE, 1981, 45 (02) : 367 - 373
[6] Bracewell Ronald N., 2000, The Fourier Transform and Its Applications
[7] High resolution 4-D spectroscopy with sparse concentric shell sampling and FFT-CLEAN
Coggins, Brian E.
Zhou, Pei
[J]. JOURNAL OF BIOMOLECULAR NMR, 2008, 42 (04) : 225 - 239
[8] Sampling of the NMR time domain along concentric rings
Coggins, Brian E.
Zhou, Pei
[J]. JOURNAL OF MAGNETIC RESONANCE, 2007, 184 (02) : 207 - 221
[9] Novel 2D triple-resonance NMR experiments for sequential resonance assignments of proteins
Ding, KY
Gronenborn, AM
[J]. JOURNAL OF MAGNETIC RESONANCE, 2002, 156 (02) : 262 - 268
[10] High-resolution iterative frequency identification for NMR as a general strategy for multidimensional data collection
Eghbalnia, HR
Bahrami, A
Tonelli, M
Hallenga, K
Markley, JL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2005, 127 (36) : 12528 - 12536

← 1 2 3 4 5 →