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- Title
Offset-compensated and zero-quantum suppressed ROESY provides accurate <sup>1</sup>H-<sup>1</sup>H distances in small to medium-sized molecules.
- Authors
Boros, Sándor; Batta, Gyula
- Abstract
A robust version of the off-resonance ROESY pulse scheme is suggested for the measurement of proton-proton distances or slow chemical exchange in small to medium-sized molecules. The method implements adiabatic ramps to establish a pair of opposite frequency off-resonance spin lock fields - with optionally randomized duration - and adiabatic inversion pulses with simultaneous gradients for efficient zero-quantum suppression. The amended pulse sequence yields pure absorption cross-peaks and works safely for small to medium-sized molecules. The applicability of the method has been demonstrated using small, rigid molecules (strychnine and codeine) and was also applied for a cyclic peptide and a small protein. We found that the pure phase cross-peaks of the new ROESY version are beneficial for distance measurements. The one-dimensional (selective) version of the new method is also powerful for measuring selected pair-wise interactions and distance determination. Copyright © 2016 John Wiley & Sons, Ltd.
- Subjects
SMALL molecules; PROTON-proton interactions; NUCLEAR magnetic resonance spectroscopy; QUANTUM theory; ABSORPTION
- Publication
Magnetic Resonance in Chemistry, 2016, Vol 54, Issue 12, p947
- ISSN
0749-1581
- Publication type
Article
- DOI
10.1002/mrc.4474