Homonuclear Simplified Preservation of Equivalent Pathways Spectroscopy

• DOI: 10.1021/acs.jpclett.4c00991
• Publication Date: 2024-06-10T12:02:05Z
• Authors: Evgeny Nimerovsky; Spyridon Kosteletos; Sascha Lange; Stefan Becker; Adam Lange; Loren B. Andreas
• Keywords: Homonuclear molecule

Recently developed homonuclear transverse mixing optimal control pulses (hTROP) revealed an elegant way to enhance the detected signal in multidimensional magic-angle spinning (MAS) nuclear magnetic resonance experiments. Inspired by their work, we present two simplified preservation of equivalent pathways spectroscopy (hSPEPS) sequences for recoupling CA-CO and CA-CB dipolar couplings under fast ultrafast MAS rates, theoretically enabling a √2 improvement sensitivity each indirect dimension. The efficiencies hSPEPS are evaluated non-deuterated samples influenza A M2 bacterial rhomboid protease GlpG different external fields (600 1200 MHz) rates (55 100 kHz). Three-dimensional (H)CA(CO)NH, (H)CO(CA)NH, (H)CB(CA)NH spectra demonstrate high robustness elements excite carbon-carbon correlations, especially spectrum, where outperforms J-based sequence factor of, on average, 2.85.