Interleaved spatial/spectral encoding in ultrafast 2D NMR spectroscopy.

Abstract

The possibility to record a full 2D spectrum in less than a second using ultrafast 2D NMR (UF2DNMR) is beneficial in many applications. However, the spatial encoding process on which UF2DNMR is based sets specific constraints on the spectral width and resolution of the resulting spectra. To overcome these limitations, a tailored encoding method using spatial/spectral pulses (SPSP) can be employed as an alternative to the traditional linear spatial encoding of interactions. Here we analyze and further develop this alternative spatial encoding strategy. We first carry out numerical simulations to describe the features of bidimensional SPSP pulses. Sidebands are identified along the spectral dimension of the excitation profile. An interleaved excitation scheme is then developed and implemented experimentally to suppress the unwanted signals that arise from these harmonic sidebands. Two examples are shown to illustrate the potential of the proposed approach. An ultrafast selective TOCSY spectrum is recorded to access sub-spectra and fully assign 1H NMR resonances of individual residues of cyclosporin A. An ultrafast HSQC spectrum of a mixture of metabolites is recorded with an optimized spectral width in the spatially encoded dimension.