Time-domain signal modelling in multidimensional NMR experiments for estimation of relaxation parameters

被引:1
|
作者
Matviychuk, Yevgen [1 ]
Bostock, Mark J. [2 ]
Nietlispach, Daniel [2 ]
Holland, Daniel J. [1 ]
机构
[1] Univ Canterbury, Dept Chem & Proc Engn, Private Bag 4800, Christchurch 8140, New Zealand
[2] Univ Cambridge, Dept Biochem, 80 Tennis Court Rd, Cambridge CB2 1GA, England
基金
英国生物技术与生命科学研究理事会;
关键词
NMR spectroscopy; 2D H-1-N-15; Protein NMR; Relaxation analysis; Spectrum reconstruction; Time domain analysis; VARIABLE PROJECTION METHOD; SPECTROSCOPY; QUANTIFICATION; SOFTWARE; DYNAMICS; SPECTRA;
D O I
10.1007/s10858-018-00224-2
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
We present a model-based method for estimation of relaxation parameters from time-domain NMR data specifically suitable for processing data in popular 2D phase-sensitive experiments. Our model is formulated in terms of commutative bicomplex algebra, which allows us to use the complete information available in an NMR signal acquired with principles of quadrature detection without disregarding any of its dimensions. Compared to the traditional intensity-analysis method, our model-based approach offers an important advantage for the analysis of overlapping peaks and is robust over a wide range of signal-to-noise ratios. We assess its performance with simulated experiments and then apply it for determination of R1,R2, andR1 relaxation rates in datasets of a protein with more than 100 cross peaks.
引用
收藏
页码:93 / 104
页数:12
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