title: Clean HMBC: suppression of strong-coupling induced artifacts in HMBC spectra.
abstract: A new experiment, clean HMBC, is introduced for suppression of strong-coupling induced artifacts in HMBC spectra. The culprits of these artifacts are an inherent shortcoming of low-pass J filters in the presence of strong coupling and the (1)H pi pulse in the middle of the evolution period aimed at suppressing evolution under heteronuclear J couplings and (1)H chemical shifts. A pi pulse causes coherence transfer in strongly coupled spin systems and, as is well known in e.g., homonuclear J spectra, this leads to peaks that would not be there in the absence of strong coupling. Similar artifacts occur in HMBC spectra, but they have apparently been overlooked, presumably because they have been assigned to inefficiency of low-pass J filters or not noticed because of a coarse digital resolution in the spectra. Clean HMBC is the HMBC technique of choice for molecules notorious for strong coupling among protons, such as carbohydrates, and the new technique is demonstrated on D-mannose. Finally, a fundamental difference between HMBC and H2BC explains why strong-coupling artifacts are much less of a problem in the latter type of spectra.
authors.affiliation: Program in Structural Biology and Biophysics, Institute of Biotechnology, University of Helsinki, FI-00014 Helsinki, Finland.
authors.forename: Peter
authors.initials: P
authors.lastname: Würtz
authors.forename: Perttu
authors.initials: P
authors.lastname: Permi
authors.forename: Niels Chr
authors.initials: NC
authors.lastname: Nielsen
authors.forename: Ole W
authors.initials: OW
authors.lastname: Sørensen
mesh_terms: D000465:Algorithms; D016477:Artifacts; D003198:Computer Simulation; D008956:Models, Chemical; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D012815:Signal Processing, Computer-Assisted