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High‐resolution NMR correlation experiments in a single measurement (HR‐PANACEA)
Author(s) -
Kupče Ēriks,
Freeman Ray
Publication year - 2010
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.2595
Subject(s) - chemistry , heteronuclear molecule , heteronuclear single quantum coherence spectroscopy , two dimensional nuclear magnetic resonance spectroscopy , resolution (logic) , pulse sequence , panacea (medicine) , moiety , biological system , molecule , nuclear magnetic resonance spectroscopy , analytical chemistry (journal) , nuclear magnetic resonance , stereochemistry , chromatography , computer science , organic chemistry , artificial intelligence , medicine , physics , alternative medicine , pathology , biology
Three important NMR pulse sequences, INADEQUATE, HSQC and three‐dimensional HMBC have been combined into a single entity called high‐resolution Parallel Acquisition NMR: an All‐in‐one Combination of Experimental Applications (HR‐PANACEA) to provide reliable structural information about a small molecule in a single measurement. This exploits a recent instrumental development that permits simultaneous acquisition of signals from several nuclear species, using multiple receivers. Where high‐precision values of the long‐range heteronuclear splittings are important, selected regions of a large experimental data matrix are extracted and examined with the highest possible resolution. The J ‐doubling technique is then applied to derive precise values for these couplings. As proof of principle, the method is applied to the molecule of methyl salicylate, confirming the expected conformation of the COH moiety. Copyright © 2010 John Wiley & Sons, Ltd.