Human Metabolomics, Faculty of Natural and Agricultural Sciences, North-West University, Potchefstroom, South Africa.
Biochem Cell Biol. 2021 Aug;99(4):465-475. doi: 10.1139/bcb-2020-0543. Epub 2021 Jan 15.
Biologically important ions such as Ca, K, Mg, Fe, and Zn play major roles in numerous biological processes, and their homeostatic balance is necessary for the maintenance of cellular activities. Sudden and severe loss in homeostasis of just one biologically important ion can cause a cascade of negative effects. The ability to quickly, accurately, and reliably quantify biologically important ions in samples of human bio-fluids is something that has been sorely lacking within the field of metabolomics. H-NMR spectra. The foundation of our investigation was the a-priori knowledge that free ethylenediaminetetraacetic acid (EDTA) produces two clear single peaks on H-NMR spectra, and that EDTA chelated to different ions produces unique H-NMR spectral patterns due to 3D conformational changes in the chemical structure of chelated-EDTA and varying degrees of electronegativity. The aim of this study was to develop and test a H-NMR-based method, with application specifically to the field of metabolomics, to quantify biologically important ions within the physiological pH range of 6.50-7.50 using EDTA as a chelating agent. Our method produced linear, accurate, precise, and repeatable results for Ca, Mg, and Zn; however, K and Fe did not chelate with EDTA.
生物体内重要的离子，如 Ca、K、Mg、Fe 和 Zn，在许多生物过程中起着重要作用，它们的体内平衡对于维持细胞活动是必要的。仅仅一种生物体内重要离子的突然和严重失衡，就会引发一系列负面效应。在代谢组学领域，快速、准确、可靠地定量分析人生物体液中生物体内重要离子的能力一直严重缺乏。核磁共振（NMR）谱。我们研究的基础是先验知识，即游离乙二胺四乙酸（EDTA）在核磁共振谱上产生两个清晰的单峰，而 EDTA 与不同的离子螯合后，由于螯合-EDTA 的化学结构发生 3D 构象变化和螯合程度不同的电负性，会产生独特的核磁共振光谱模式。本研究旨在开发和测试一种基于 NMR 的方法，该方法特别应用于代谢组学领域，使用 EDTA 作为螯合剂，在生理 pH 值范围 6.50-7.50 内定量分析生物体内重要离子。我们的方法为 Ca、Mg 和 Zn 产生了线性、准确、精密和可重复的结果；然而，K 和 Fe 不能与 EDTA 螯合。
