从乙烯获得的具有非平衡核自旋阶的 2-溴乙醇亚甲基质子的超极化长寿命自旋态

IF 2 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS Journal of magnetic resonance Pub Date : 2024-02-23 DOI:10.1016/j.jmr.2024.107648
Simon V. Babenko , Sergey V. Sviyazov , Dudari B. Burueva , Igor V. Koptyug
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摘要

在这项工作中,我们实现了 2-溴乙烷(2H)ol(BrEtOD)中亚甲基质子长寿命自旋态(LLS)的显著过量(PLLS≈1%),这种自旋态是在具有非平衡核自旋态的乙烯与溴水反应中获得的。鉴于乙烯中的所有质子都具有磁等效性,其核状态被划分为总自旋 I = 2,1,0 的核自旋异构体 (NSIM)。在乙炔中加入对氢,生成的乙烯中只有 I = 1,0 的核自旋异构体。与溴水反应后,乙烯的非平衡自旋阶部分转移到涉及 BrEtOD 两个亚甲基的单线 LLS 上。通过 LLS 读数获得的 1H NMR 信号增强(SE≈200)约等于通过单个 π/4 脉冲获得的超极化 BrEtOD 的 SE。在氩气泡样品中,LLS 松弛时间 (TLLS) 约为 40 秒(≈8T1)。
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Hyperpolarized long-lived spin state of methylene protons of 2-bromoethanol obtained from ethylene with non-equilibrium nuclear spin order

In this work we achieve a significant overpopulation (PLLS≈1%) of the long-lived spin state (LLS) of methylene protons in 2-bromoethan(2H)ol (BrEtOD) obtained in a reaction between ethylene with non-equilibrium nuclear spin order and bromine water. Given all protons in ethylene are magnetically equivalent, its nuclear states are classified into nuclear spin isomers (NSIM) with total spin I = 2,1,0. Addition of parahydrogen to acetylene produces ethylene with a population of only those NSIMs with I = 1,0. As a result of the reaction with bromine water the non-equilibrium spin order of ethylene is partly transferred to the singlet LLS involving the two methylene groups of BrEtOD. The 1H NMR signal enhancement (SE≈200) obtained as a result of the LLS readout is approximately equal to the SE of the hyperpolarized BrEtOD obtained with a single π/4 pulse. The LLS relaxation time (TLLS) was shown to be approximately 40 s (≈8T1) in the argon-bubbled sample.

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来源期刊
CiteScore
3.80
自引率
13.60%
发文量
150
审稿时长
69 days
期刊介绍: The Journal of Magnetic Resonance presents original technical and scientific papers in all aspects of magnetic resonance, including nuclear magnetic resonance spectroscopy (NMR) of solids and liquids, electron spin/paramagnetic resonance (EPR), in vivo magnetic resonance imaging (MRI) and spectroscopy (MRS), nuclear quadrupole resonance (NQR) and magnetic resonance phenomena at nearly zero fields or in combination with optics. The Journal''s main aims include deepening the physical principles underlying all these spectroscopies, publishing significant theoretical and experimental results leading to spectral and spatial progress in these areas, and opening new MR-based applications in chemistry, biology and medicine. The Journal also seeks descriptions of novel apparatuses, new experimental protocols, and new procedures of data analysis and interpretation - including computational and quantum-mechanical methods - capable of advancing MR spectroscopy and imaging.
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