Access to experimentally infeasible spectra by pure-shift NMR covariance

被引：10

作者：

Fredi, Andre ^{[1
]}

Nolis, Pau ^{[1
]}

Cobas, Carlos ^{[2
]}

Parella, Teodor ^{[1
]}

机构：

[1] Univ Autonoma Barcelona, Serv Ressonancia Magnet Nucl, E-08193 Bellaterra, Catalonia, Spain

[2] Mestrelab Res, E-15706 Santiago De Compostela, A Coruna, Spain

来源：

JOURNAL OF MAGNETIC RESONANCE | 2016年 / 270卷

关键词：

Pure shift NMR; Covariance NMR; Multiplicity-edited COSY; Multiplicity-edited TOCSY; Multiplicity-edited HMBC; GENERALIZED INDIRECT COVARIANCE; HSQC-ADEQUATE; IN-PHASE; HMBC; COSY; HSQC-1; N-ADEQUATE; CONNECTIVITY; SPECTROSCOPY; SENSITIVITY; EQUIVALENT;

D O I：

10.1016/j.jmr.2016.07.010

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

Covariance processing is a versatile processing tool to generate synthetic NMR spectral representations without the need to acquire time-consuming experimental datasets. Here we show that even experimentally prohibited NMR spectra can be reconstructed by introducing key features of a reference 1D CHn-edited spectrum into standard 2D spectra. This general procedure is illustrated with the calculation of experimentally infeasible multiplicity-edited pure-shift NMR spectra of some very popular homonuclear (ME-psCOSY and ME-p5TOCSY) and heteronuclear (ME-psHSQC-TOCSY and ME-psHMBC) experiments. (C) 2016 Elsevier Inc. All rights reserved.

引用

页码：161 / 168

页数：8

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