Pushing resolution limits for extracting H-1-H-1 scalar coupling constants by a resolution-enhanced selective refocusing method

摘要

Nuclear magnetic resonance (NMR) spectroscopy enables one to study molecular structure and dynamics in a noninvasive manner and has long served as a versatile and indispensable analytical tool in physics, chemistry, and biology. Scalar coupling, an essential feature in NMR spectroscopy, provides rich information regarding molecular structure and conformation. The measurement of scalar coupling constants, therefore, constitutes an important issue in NMR spectroscopy. Homonuclear 2D J-resolved spectroscopy is a powerful tool for multiplet analysis and coupling measurement. Recently, a number of phase-sensitive J-resolved methods and selective measuring methods have been developed to facilitate the extraction of coupling constants. However, resolution remains a crucial challenge when extracting small coupling constants or under inhomogeneous fields. In this paper, we present a resolution-enhanced selective refocusing (RESERF) method for the extraction of coupling constants. The effect of magnetic field inhomogeneity can be eliminated, resulting in very narrow linewidths. Therefore, samples with small coupling constants or under inhomogeneous fields can be well analyzed. The RESERF method may be of great value for structural and conformational studies in chemistry and biology.