Full Correlations across Broad NMR Spectra by Two‐Field Total Correlation Spectroscopy. Issue 19 (13th July 2017)

• Record Type: Journal Article
• Authors: Kadeřávek, Pavel; Strouk, Léonard; Cousin, Samuel F.; Charlier, Cyril; Bodenhausen, Geoffrey; Marquardsen, Thorsten; Tyburn, Jean‐Max; Bovier, Pierre‐Alain; Engelke, Frank; Maas, Werner; Ferrage, Fabien
• Is Part Of: Chemphyschem. Volume 18:Issue 19(2017)
• Page Start: 2772
• Page End: 2776
• Publication Date: 2017-07-13
• Subjects: amino acids -- NMR spectroscopy -- total correlation spectroscopy -- two-field NMR -- two-field TOCSY; Chemistry, Physical and theoretical -- Periodicals; 541.05
• DOI: 10.1002/cphc.201700369
• Languages: English
• ISSNs: 1439-4235

Abstract

Abstract: 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. Abstract : No compromise ! Two‐field total correlation spectroscopy provides the resolution of high‐field NMR and the excellent mixing properties of low‐field NMR, all in the same experiment (see Figure), thanks to the use of a two‐field NMR spectrometer.