Auto-offsetting and -referencing in biomolecular NMR experiments英文文献资料.docVIP

Vol.2, No.3, 208-214 (2011) Journal of Biophysical Chemistry doi:10.4236/jbpc.2011.23025 Auto-offsetting and -referencing in biomolecular NMR experiments Shanmin Zhang * Shanghai key Laboratory of Magnetic Resonance, Department of Physics, East China Normal University, Shanghai, China; Corresponding Author: shanminz@ * Received 16 April 2011; revised 1 May 2011; accepted 8 July 2011. ABSTRACT magnetic field (B0) is determined by the Zeeman (?B0) and shielding (?B0?) interactions [1,2]. The shielding interaction is induced by the nearby electrons precessing at their own Larmor frequencies, which produce a very small magnetic field at the site of the nucleus. As the Larmor frequency of the electrons, it is also proportional to B0. The shielding coefficient ? is referred to as chemical shift, which contains rich information about local molecular structures in solids [3] (chemical shift anisotropy) and in liquids (isotropic part only). A frequency ratio RatioXH associated with two carrier frequencies in ppm is introduced for achieving auto-offsetting and -referencing (AOR) in biomolecular NMR. Once the center of 1H is referenced, all the offsets in other dimensions are automatically determined and the centers of the spectral widths provide accurate indirect references. Since the scale in ppm is inde- pendent of the magnetic field strength, the AOR does not require manually updating carrier fre- quencies from time to time, making the multi- dimensional NMR experiments greatly simpli- fied and reliable. It is extremely valuable when molecules need to be run a large number of experiments at different times and the data (chemical shifts, for example) need to be com- pared with each other. In AOR, the error arising from improper referencing of 1H is handed down in the same amount to the other nuclei being referenced. This error-inheritance prov