Hyperpolarisation criteria in magnetic resonance

IF 2 3区 化学 Q3 BIOCHEMICAL RESEARCH METHODS Journal of magnetic resonance Pub Date : 2024-02-09 DOI:10.1016/j.jmr.2024.107631
Christian Bengs
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Abstract

Nuclear Magnetic Resonance (NMR) techniques display an inherently low sensitivity due to a small equilibrium magnetisation. Nowadays this issue is easily overcome through the use of hyperpolarisation methods. This however raises the question as to what precisely do we mean by “hyperpolarisation”. Recently a formal definition of hyperpolarisation has been given based on the von Neumann entropy of a system. Ideally this definition should conform with the general usage in the magnetic resonance community, where hyperpolarisation is often used synonymously with “larger” NMR signals. Within this article I show that an entropy-based hyperpolarisation criterion does not always conform with the general usage. Based on this observation I introduce an alternative hyperpolarisation criterion utilising the concept of latent polarisation, where latent polarisation is a measure of the highest possible amount of polarisation that may be extracted from a system. I show that a hyperpolarisation criterion based on latent polarisation correlates more strongly with the general usage within the magnetic resonance community. Ultimately however our results show that there are several possible notions of hyperpolarisation, and the choice depends upon the questions of interest.

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磁共振中的超极化标准。
由于平衡磁化较小,核磁共振(NMR)技术显示出固有的低灵敏度。如今,通过使用超极化方法可以轻松解决这一问题。然而,这就提出了一个问题,即 "超极化 "的确切含义是什么。最近,人们根据系统的冯-诺依曼熵给出了超极化的正式定义。理想情况下,这一定义应符合磁共振界的一般用法,在磁共振界,超极化通常与 "更大 "的 NMR 信号同义。在本文中,我表明基于熵的超极化标准并不总是符合一般用法。基于这一观察结果,我引入了另一种利用潜在极化概念的超极化标准,其中潜在极化是从一个系统中可能提取的最高极化量的量度。我的研究结果表明,基于潜极化的超极化标准与磁共振界的一般用法有更强的相关性。不过,我们的研究结果最终表明,超极化有几种可能的概念,选择取决于感兴趣的问题。
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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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