对氢诱导极化的恒定绝热超低磁场处理：在AA'X自旋系统中的应用,Physical Chemistry Chemical Physics

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对氢诱导极化的恒定绝热超低磁场处理：在AA'X自旋系统中的应用
Physical Chemistry Chemical Physics ( IF 2.9 ) Pub Date : 2021-3-22 , DOI: 10.1039/d0cp06581a
Bogdan A. Rodin _{1,

2,

2,

3,

4} , James Eills _{5,

6,

7,

8,

9} , Román Picazo-Frutos _{5,

6,

7,

8,

9} , Kirill F. Sheberstov _{5,

6,

7,

8,

9} , Dmitry Budker _{5,

6,

7,

8,

9} , Konstantin L. Ivanov _{1,

2,

2,

3,

4}

Affiliation

使用超极化造影剂的磁共振成像领域正在迅速扩展，对氢诱导极化（PHIP）正在作为一种廉价且易于实现的方法来生成所需的超极化生物分子。氢化PHIP通过以自旋-单态状态下的H ₂化学加成将超极化的质子自旋顺序传递给基质，但通常需要将质子的极化转移至杂核（通常为¹³C）具有更长的自旋寿命。可以使用绝热的超低磁场操纵来诱导极化转移，但这必然是一个缓慢的过程，这是不希望的，因为自旋会不断松弛回到热平衡。在这里，我们展示了两种恒定绝热场扫描方法，其中一种方法使场通过零，而另一种方法使场从零开始扫掠，以在模型A''X自旋系统[1- ¹³ C]上实现最佳极化转移。富马酸盐。我们介绍了一种计算恒定绝热磁场扫描的方法，并证明与线性扫描相比，它们可使自旋阶转换快大约一个数量级。因此，本方法可用于操纵异核自旋系统中的非热序。

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Constant-adiabaticity ultralow magnetic field manipulations of parahydrogen-induced polarization: application to an AA'X spin system

The field of magnetic resonance imaging with hyperpolarized contrast agents is rapidly expanding, and parahydrogen-induced polarization (PHIP) is emerging as an inexpensive and easy-to-implement method for generating the required hyperpolarized biomolecules. Hydrogenative PHIP delivers hyperpolarized proton spin order to a substrate via chemical addition of H₂ in the spin-singlet state, but it is typically necessary to transfer the proton polarization to a heteronucleus (usually ¹³C) which has a longer spin lifetime. Adiabatic ultralow magnetic field manipulations can be used to induce the polarization transfer, but this is necessarily a slow process, which is undesirable since the spins continually relax back to thermal equilibrium. Here we demonstrate two constant-adiabaticity field sweep methods, one in which the field passes through zero, and one in which the field is swept from zero, for optimal polarization transfer on a model AA′X spin system, [1-¹³C]fumarate. We introduce a method for calculating the constant-adiabaticity magnetic field sweeps, and demonstrate that they enable approximately one order of magnitude faster spin-order conversion compared to linear sweeps. The present method can thus be utilized to manipulate nonthermal order in heteronuclear spin systems.

更新日期：2021-03-22

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