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Full Correlations across Broad NMR Spectra by Two‐Field Total Correlation Spectroscopy
Author(s) -
Kadeřávek Pavel,
Strouk Léonard,
Cousin Samuel F.,
Charlier Cyril,
Bodenhausen Geoffrey,
Marquardsen Thorsten,
Tyburn JeanMax,
Bovier PierreAlain,
Engelke Frank,
Maas Werner,
Ferrage Fabien
Publication year - 2017
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201700369
Subject(s) - chemistry , nuclear magnetic resonance spectroscopy , spectroscopy , spectral line , two dimensional nuclear magnetic resonance spectroscopy , molecule , nmr spectra database , nuclear magnetic resonance , field (mathematics) , analytical chemistry (journal) , spectrometer , magnetic field , computational chemistry , physics , stereochemistry , organic chemistry , mathematics , optics , astronomy , quantum mechanics , pure mathematics
Total correlation spectroscopy (TOCSY) is a key experiment to assign nuclear magnetic resonance (NMR) spectra of complex molecules. Carbon‐13 TOCSY experiments are essential to assign signals of protein side chains. However, the performance of carbon‐13 TOCSY deteriorates at high magnetic fields since the necessarily limited radiofrequency irradiation fails to cover the broad range of carbon‐13 frequencies. Here, we introduce a new concept to overcome the limitations of TOCSY by using two‐field NMR spectroscopy. In two‐field TOCSY experiments, chemical shifts are labelled at high field but isotropic mixing is performed at a much lower magnetic field, where the frequency range of the spectrum is drastically reduced. We obtain complete correlations between all carbon‐13 nuclei belonging to amino acids across the entire spectrum: aromatic, aliphatic and carboxylic. Two‐field TOCSY should be a robust and general approach for the assignment of uniformly carbon‐13 labelled molecules in high‐field and ultra‐high field NMR spectrometers beyond 1000 MHz.