Two-Dimensional ~1H-~1H and ~(13)C-~1H Maximum-Quantum Correlation NMR Spectroscopy with Application to the Assignment of the NMR Spectra of the Bile Salt Sodium Taurocholate

摘要

Following earlier studies on the development of one- and two-dimensional NMR methods based on selection of coherences via maximum-quantum pathways and using inverse ~1H detection, a pulse sequence is now described for analogous direct heteronuclear detection for use in laboratories which do not have access to inverse detection technology. The method has been applied to the assignment of all of the ~1H and ~(13)C NMR resonances of sodium taurocholate, an important component of bile. The assignment of the resonances of major bile salts is important for the assignments of NMR resonances in bile itself to yield understanding of altered biochemistry in disease states. The effect of deliberately missetting the refocusing delay in the pulse sequence is shown to be beneficial in the assignment process.