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通过最优控制脉冲序列将仲氢诱导的纵向双自旋有序转化为均匀分布的单自旋极化。

Conversion of parahydrogen induced longitudinal two-spin order to evenly distributed single spin polarisation by optimal control pulse sequences.

机构信息

Sir Peter Mansfield Magnetic Resonance Centre, School of Physics and Astronomy, University of Nottingham, Nottingham NG72RD, United Kingdom.

出版信息

J Chem Phys. 2012 Mar 7;136(9):094201. doi: 10.1063/1.3691193.

Abstract

Strongly enhanced spin polarization in the form of longitudinal spin order can be generated on target molecules by using parahydrogen in a catalyzed hydrogenation reaction. An optimal control algorithm was used to generate radiofrequency pulse sequences which convert the arising longitudinal two-spin order into single-spin Zeeman order with high efficiency and distribute it evenly between three coupled spins within the same molecule. The pulses are designed to be very robust towards variations in the B(0) and B(1) fields. Furthermore, this strategy is applied to enhance the NMR signal in an ultrafast gradient assisted single excitation two-dimensional spectroscopy experiment.

摘要

通过在催化加氢反应中使用仲氢,可以在靶分子上产生形式为纵向自旋有序的强自旋极化。利用最优控制算法生成射频脉冲序列,将产生的纵向双自旋有序高效地转化为单自旋塞曼有序,并在同一分子内的三个耦合自旋之间均匀分布。这些脉冲设计对 B(0) 和 B(1) 场的变化非常稳健。此外,该策略还应用于增强超快梯度辅助单激发二维光谱实验中的 NMR 信号。

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