Fast and Robust Two-Dimensional Heteronuclear Correlation Experiments for Small Molecules

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Multidimensional high resolution NMR spectroscopy is among the most important analytical methods in modern chemistry. Especially two-dimensional heteronuclear correlation experiments are an essential element for a reliable characterization of molecules and complex mixtures in solution. However, long measurement times of the corresponding experiments lead to severe limitations and prevent their use in many applications. Based on the concept of the ASAP- and ALSOFAST-HSQC, we aim in the proposed project to develop and optimize a series of very fast heteronuclear correlation experiments with different objectives. For this goal it is essential to understand the determining factors for resulting signal intensities, for which a number of models based on systematic variations of parameters will be developed and experimentally verified. The fast experiments will then be extended in two general ways: on the one hand, the ASAP- and ALSOFAST-concept, respectively, will be included in a number of well-established pulse sequences like the HSQC-TOCSY, pure shift HSQC, ADEQUATE, HSQC-DOSY, and HMBC; on the other hand, the ASAP-HSQC as the basic element of the experiments, will be further optimized with respect to robustness, sensitivity, and possibilities for decoupling. Especially these optimizations will also lead to improvements for many conventional experiments. Finally, the applicability of the fast experiments will be shown for various research areas. The use of corresponding sequences will be demonstrated in NMR service and metabolomics applications, quality control and flow-NMR as well as diffusion-NMR.