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首页> 外文期刊>Angewandte Chemie >'Direct' C-13 Hyperpolarization of C-13-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE)
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'Direct' C-13 Hyperpolarization of C-13-Acetate by MicroTesla NMR Signal Amplification by Reversible Exchange (SABRE)

机译：“通过可逆交换（Saber）通过Microtesla NMR信号放大直接”C-13 C-13醋酸氢化物

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摘要

Herein, we demonstrate "direct" C-13 hyperpolarization of C-13-acetate via signal amplification by reversible exchange (SABRE). The standard SABRE homogeneous catalyst [Ir-IMes; [IrCl(COD)(IMes)], (IMes=1,3-bis(2,4,6-trimethylphenyl), imidazole-2-ylidene; COD=cyclooctadiene)] was first activated in the presence of an auxiliary substrate (pyridine) in alcohol. Following addition of sodium 1-C-13-acetate, parahydrogen bubbling within a microtesla magnetic field (i.e. under conditions of SABRE in shield enables alignment transfer to heteronuclei, SABRE-SHEATH) resulted in positive enhancements of up to approximate to 100-fold in the (CNMR)-C-13 signal compared to thermal equilibrium at 9.4T. The present results are consistent with a mechanism of "direct" transfer of spin order from parahydrogen to C-13 spins of acetate weakly bound to the catalyst, under conditions of fast exchange with respect to the C-13 acetate resonance, but we find that relaxation dynamics at microtesla fields alter the optimal matching from the traditional SABRE-SHEATH picture. Further development of this approach could lead to new ways to rapidly, cheaply, and simply hyperpolarize a broad range of substrates (e.g. metabolites with carboxyl groups) for various applications, including biomedical NMR and MRI of cellular and in vivo metabolism.
机译：在此，我们通过可逆交换（SABER）通过信号放大来证明“直接”C-13乙酸酯的C-13乙酸异化。标准的Sabre均相催化剂[IR-IMES; [IRCL（COD）（IME）]，（IMES = 1,3-双（2,4,6-三甲基苯基），首先在辅助基板存在下活化（吡啶）在酒精中。加入1-C-13-乙酸钠后，在Microtesla磁场内（即，在盾牌中的梭孔条件下，使对准转移到杂核，Saber-鞘的条件下，导致阳性增强达到100倍（CNMR）-C-13信号与9.4T的热平衡相比。本结果与“直接”转移来自戊二糖尿剂的旋转顺序转移到催化剂的醋酸盐弱结合的C-13旋转的机制一致，在相对于C-13乙酸酯共振的快速交换条件下，但我们发现Microotesla领域的放松动态改变了传统的Saber-Sheath图片的最佳匹配。这种方法的进一步发展可能导致新的方式迅速，便宜，并且简单地将各种应用的诸如诸如羧基的羧基的广泛的底物（例如代谢物），包括细胞和体内代谢的生物医学NMR和MRI。

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