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Guidelines for the use of band-selective radiofrequency pulses in hetero-nuclear NMR: Example of longitudinal-relaxation-enhanced BEST-type 1H–15N correlation experiments

机译:在杂核NMR中使用带选择射频脉冲的指南:纵向松弛增强的BEST型1H-15N相关实验示例

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Band-selective radiofrequency (rf) pulses provide powerful spectroscopic tools for many biomolecular NMR applications. Band-selectivity is commonly achieved by pulse shaping where the rf amplitude and phase are modulated according to a numerically optimized function. This results in complex spin evolution trajectories during the pulse duration. Here we introduce simplified representations of a number of shaped pulses, commonly used in biomolecular NMR spectroscopy. These simple schemes, consisting in a suite of free evolution delays and ideal rf pulses, reproduce astonishingly well the effect on a scalar-coupled hetero-nuclear two-spin system. As a consequence, optimal use of such pulse shapes in complex multi-pulse sequences becomes straightforward, as demonstrated here for the example of longitudinal-relaxation-enhanced BEST-HSQC and BEST-TROSY experiments. Applications of these optimized pulse sequences to several proteins in the size range of 8–21 kDa are shown.
机译:选带射频(rf)脉冲为许多生物分子NMR应用提供了强大的光谱工具。频带选择性通常通过脉冲整形来实现,其中rf振幅和相位根据数字优化函数进行调制。这导致在脉冲持续时间内复杂的自旋演化轨迹。在这里,我们介绍了通常在生物分子NMR光谱学中使用的许多成形脉冲的简化表示。这些简单的方案包括一组自由演化延迟和理想的rf脉冲,可以很好地重现对标量耦合异核两自旋系统的影响。结果,在复杂的多脉冲序列中这种脉冲形状的最佳使用变得简单明了,如此处以纵向松弛增强的BEST-HSQC和BEST-TROSY实验的示例所示。显示了这些优化的脉冲序列在8–21 kDa大小范围内的几种蛋白质上的应用。

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