神奇四侠：用于增强NMR光谱的即插即用最佳控制脉冲集
The Fantastic Four: A plug 'n' play set of optimal control pulses for enhancing nmr spectroscopy
摘要：
我们提出了高度鲁棒的，基于最佳控制的整形脉冲，旨在取代给定脉冲序列中的所有90°和180°硬脉冲，以提高性能。特别注意确保脉冲可以简单地以一对一的方式取代原始硬脉冲，而不对现有序列进行任何额外的修改。因此，每个核的四个脉冲的集合由相同持续时间的90°和180°点对点（PP）和万向旋转（UR）脉冲组成。这些1 ms脉冲在20 kHz（1H）和35 kHz（13 C）的谐振偏移上提供均匀的性能，并容许（+/-）15%（1H）和（+/-）10%（13 C）的相当大的射频（RF）不均匀性/误校准，使它们特别适合于小到中等大小分子的NMR（对于其，脉冲期间的弛豫效应可忽略不计）在600 MHz的可获得的和广泛使用的谱仪场强度下进行。传统的硬脉冲序列的实验性能被证明是大大提高，通过将新的脉冲，每组被称为神奇四侠（Fanta 4）。
英文摘要：
We present highly robust, optimal control-based shaped pulses designed to replace all 90° and 180° hard pulses in a given pulse sequence for improved performance. Special attention was devoted to ensuring that the pulses can be simply substituted in a one-to-one fashion for the original hard pulses without any additional modification of the existing sequence. The set of four pulses for each nucleus therefore consists of 90° and 180° point-to-point (PP) and universal rotation (UR) pulses of identical duration. These 1 ms pulses provide uniform performance over resonance offsets of 20 kHz (1H) and 35 kHz (13C) and tolerate reasonably large radio frequency (RF) inhomogeneity/miscalibration of (+/-)15% (1H) and (+/-)10% (13C), making them especially suitable for NMR of small-to-medium-sized molecules (for which relaxation effects during the pulse are negligible) at an accessible and widely utilized spectrometer field strength of 600 MHz. The experimental performance of conventional hard-pulse sequences is shown to be greatly improved by incorporating the new pulses, each set referred to as the Fantastic Four (Fanta4).
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