Australian National Phenome Centre and Computational and Systems Medicine, Health Futures Institute, Murdoch University, Harry Perkins Building, Perth, Western Australia 6150, Australia.
Bruker Biospin GmbH, Silberstreifen, 76287, Rheinstetten 76287, Germany.
Anal Chem. 2022 Jan 18;94(2):1333-1341. doi: 10.1021/acs.analchem.1c04576. Epub 2022 Jan 5.
Proton nuclear magnetic resonance (NMR) -acetyl signals (Glyc) from glycoproteins and supramolecular phospholipids composite peak (SPC) from phospholipid quaternary nitrogen methyls in subcompartments of lipoprotein particles) can give important systemic metabolic information, but their absolute quantification is compromised by overlap with interfering resonances from lipoprotein lipids themselves. We present a J-Edited DIffusional (JEDI) proton NMR spectroscopic approach to selectively augment signals from the inflammatory marker peaks Glyc and SPCs in blood serum NMR spectra, which enables direct integration of peaks associated with molecules found in specific compartments. We explore a range of pulse sequences that allow editing based on peak J-modulation, translational diffusion, and relaxation time and validate them for untreated blood serum samples from SARS-CoV-2 infected patients ( = 116) as well as samples from healthy controls and pregnant women with physiological inflammation and hyperlipidemia ( = 631). The data show that JEDI is an improved approach to selectively investigate inflammatory signals in serum and may have widespread diagnostic applicability to disease states associated with systemic inflammation.
质子核磁共振(NMR)-糖蛋白的乙酰信号(Glyc)和脂蛋白颗粒亚区中磷脂四级氮甲基的超分子磷脂复合峰(SPC),可以提供重要的全身代谢信息,但由于与脂蛋白脂质自身的干扰共振重叠,其绝对定量受到影响。我们提出了一种 J-编辑扩散(JEDI)质子 NMR 光谱方法,用于选择性增强血清 NMR 光谱中炎症标志物峰 Glyc 和 SPC 的信号,从而能够直接对与特定隔室中发现的分子相关的峰进行积分。我们探索了一系列允许基于峰 J 调制、平动扩散和弛豫时间进行编辑的脉冲序列,并将其验证用于 SARS-CoV-2 感染患者的未处理血清样本(=116)以及来自健康对照者和生理性炎症和高脂血症孕妇的样本(=631)。数据表明,JEDI 是一种改进的方法,可用于选择性研究血清中的炎症信号,可能广泛适用于与全身炎症相关的疾病状态。