Jeong Hye Jin, Min Sein, Jeong Keunhong
Department of Chemistry, Korea Military Academy, Seoul 01805, South Korea.
Department of Chemistry, Seoul Women's University, Seoul 01797, South Korea.
Analyst. 2020 Oct 12;145(20):6478-6484. doi: 10.1039/d0an00967a.
Signal amplification by reversible exchange (SABRE), a parahydrogen-based hyperpolarization technique, is valuable in detecting low concentrations of chemical compounds, which facilitates the understanding of their functions at the molecular level as well as their applicability in nuclear magnetic resonance (NMR) and magnetic resonance imaging (MRI). SABRE of 1-aminoisoquinoline (1-AIQ) is significant because isoquinoline derivatives are the fundamental structures in compounds with notable biological activity and are basic organic building blocks. Through this study, we explain how SABRE is applied to hyperpolarize 1-AIQ for diverse solvent systems such as deuterated and non-deuterated solvents. We observed the amplification of individual protons of 1-AIQ at various magnetic fields. Further, we describe the polarization transfer mechanism of 1-AIQ compared to pyridine using density functional theory (DFT) calculations. This hyperpolarization technique, including the polarization transfer mechanism investigation on 1-AIQ, will provide a firm basis for the future application of the hyperpolarization study on various bio-friendly materials.
通过可逆交换进行信号放大（SABRE）是一种基于仲氢的超极化技术，在检测低浓度化合物方面具有重要价值，这有助于在分子水平上理解其功能以及它们在核磁共振（NMR）和磁共振成像（MRI）中的适用性。1-氨基异喹啉（1-AIQ）的SABRE具有重要意义，因为异喹啉衍生物是具有显著生物活性的化合物的基本结构，也是基本的有机结构单元。通过本研究，我们解释了如何将SABRE应用于在氘代和非氘代等多种溶剂体系中对1-AIQ进行超极化。我们在不同磁场下观察到了1-AIQ各个质子的放大情况。此外，我们使用密度泛函理论（DFT）计算描述了与吡啶相比1-AIQ的极化转移机制。这种超极化技术，包括对1-AIQ的极化转移机制研究，将为未来对各种生物友好材料进行超极化研究的应用提供坚实基础。
