Noise Reduction of Ultrahigh-Resolution Pure Shift NMR Spectroscopy for Complex Chemical and Biological Sample Measurements

Pure shift NMR spectroscopy provides ultrahigh-resolution access to valuable structural and dynamic information with significantly improved spectral resolution, and plays crucial roles in tackling the analysis of medium and small molecules as well as complex mixtures. However, further applications are confined by the inherent NMR low sensitivity and more than an order of magnitude of signal loss. This present study aims at noise reduction of ultrahigh-resolution pure shift NMR spectroscopy and facilitating the direct probing on complex chemical and biological sample systems. A generalized and versatile protocol, which fully exploits the power of multivariate data, is described to enable the reliable noise reduction for 1D and 2D pure shift NMR spectroscopy. This protocol enables the fast and reliable recovery and identification of minute signals and very low-concentration metabolites, and demonstrates decent application potentials on complex chemical and biological analyses. More meaningfully, as a simple tool and a general concept, this enhancement is well compatible to various pure shift NMR elements, and is readily implemented without prior knowledge and complicated setup. Therefore, our findings would give a boost to the applicability of pure shift NMR spectroscopy.