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SABRE 增强与脉冲序列的振荡。

SABRE enhancement with oscillating pulse sequences.

机构信息

Department of Physics, Duke University Durham, NC 27708, USA.

Department of Chemistry, Duke University Durham, NC 27708, USA.

出版信息

Phys Chem Chem Phys. 2022 Jul 13;24(27):16462-16470. doi: 10.1039/d2cp00899h.

Abstract

SABRE (Signal Amplification by Reversible Exchange) methods provide a simple, fast, and cost-effective method to hyperpolarize a wide variety of molecules in solution, and have been demonstrated with protons and, more recently, with heteronuclei (X-SABRE). Here, we present several oscillating pulse sequences that use magnetic fields far away from the resonance condition of continuous excitation and can commonly triple the polarization. An analysis with average Hamiltonian theory indicates that the oscillating pulse, in effect, adjusts the J-couplings between hydrides and target nuclei and that a much weaker coupling produces maximum polarization. This theoretical treatment, combined with simulations and experiment, shows substantial magnetization improvements relative to traditional X-SABRE methods. It also shows that, in contrast to most pulse sequence applications, waveforms with reduced time symmetry in the toggling frame make magnetization generation more robust to experimental imperfections.

摘要

SABRE(信号放大可逆交换)方法提供了一种简单、快速和具有成本效益的方法,可以使溶液中的各种分子超极化,并且已经在质子中得到了证实,最近在异核(X-SABRE)中也得到了证实。在这里,我们提出了几种使用远离连续激发共振条件的磁场的振荡脉冲序列,通常可以将极化度提高三倍。用平均哈密顿理论进行的分析表明,振荡脉冲实际上调整了氢化物和目标核之间的 J 耦合,并且较弱的耦合会产生最大的极化度。这种理论处理方法结合模拟和实验,与传统的 X-SABRE 方法相比,显示出了显著的磁化改进。它还表明,与大多数脉冲序列应用相比,在切换帧中具有减少时间对称性的波形使磁化产生对实验缺陷更具鲁棒性。

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