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首页> 外文期刊>Metabolomics >Quantitative analysis of metabolite concentrations in human urine samples using 13C{1H} NMR spectroscopy
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Quantitative analysis of metabolite concentrations in human urine samples using 13C{1H} NMR spectroscopy

机译：使用13 C {1 H} NMR光谱法定量分析人尿液中代谢物的浓度

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摘要

Targeted profiling is a library-based method of using mathematically modeled reference spectra for quantification of metabolite concentrations in NMR mixture analysis. Metabolomics studies of biofluids, such as urine, represent a highly complex problem in this area, and for this reason targeted profiling of 1H NMR spectra can be hampered. A number of the issues relating to 1H NMR spectroscopy can be overcome using 13C{1H} NMR spectroscopy. In this work, a 13C{1H} NMR database was created using Chenomx NMR Suite, incorporating 120 metabolites. The 13C{1H} NMR database was standardized through the analysis of a series of metabolite solutions containing varying concentrations of 19 distinct metabolites, where the metabolite concentrations were varied across a range of values including biological ranges. Subsequently, the NMR spectra of urine samples were collected using 13C{1H} NMR spectroscopy and profiled using the 13C{1H} NMR library. In total, about 30 metabolites were conclusively identified and quantified in the urine samples using 13C{1H} NMR targeted profiling. The proton decoupling and larger spectral window provided easier identification and more accurate quantification for specific classes of metabolites, such as sugars and amino acids with overlap in the aliphatic region of the 1H NMR spectrum. We discuss potential application areas in which 13C{1H} NMR targeted profiling may be superior to 1H NMR targeted profiling.
机译：靶向分析是一种基于库的方法，使用数学建模的参考光谱对NMR混合物分析中的代谢物浓度进行定量。诸如尿液之类的生物流体的代谢组学研究在该领域代表了一个高度复杂的问题，因此，可能会妨碍1 H NMR谱的靶向分析。使用13 C {1 H} NMR光谱可以解决许多与1H NMR光谱有关的问题。在这项工作中，使用Chenomx NMR套件创建了13 C {1 H} NMR数据库，其中包含120种代谢物。通过分析一系列包含不同浓度的19种不同代谢物的代谢物溶液，对13 C {1 H} NMR数据库进行了标准化，其中代谢物浓度在包括生物学范围在内的一系列值范围内变化。随后，使用13 C {1 H} NMR光谱法收集尿液样品的NMR谱，并使用13 C {1 H} NMR库进行谱分析。总共使用13 C {1 H} NMR靶向分析在尿液样品中最终鉴定和定量了约30种代谢物。质子去耦和较大的光谱窗口为特定类别的代谢物（例如在1H NMR光谱的脂肪族区域重叠的糖和氨基酸）的鉴定和更准确的定量提供了方便。我们讨论了潜在的应用领域，其中13 C {1 H} NMR靶向分析可能优于1 H NMR靶向分析。

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  • 来源
    《Metabolomics》 |2009年第3期|307-317|共11页
  • 作者

    Rustem A. Shaykhutdinov; Glen D. MacInnis; Reza Dowlatabadi; Aalim M. Weljie; Hans J. Vogel;

  • 作者单位

    Department of Biological Sciences Metabolomics Research Centre University of Calgary Calgary AB T2N 1N4 Canada;

    Department of Biological Sciences Metabolomics Research Centre University of Calgary Calgary AB T2N 1N4 Canada;

    Department of Biological Sciences Metabolomics Research Centre University of Calgary Calgary AB T2N 1N4 Canada;

    Department of Biological Sciences Metabolomics Research Centre University of Calgary Calgary AB T2N 1N4 Canada;

    Department of Biological Sciences Metabolomics Research Centre University of Calgary Calgary AB T2N 1N4 Canada;

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  • 原文格式 PDF
  • 正文语种 eng
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  • 关键词

    Carbon-13 NMR; Targeted profiling; Quantitative analysis;

    机译：碳13 NMR;靶向分析;定量分析;

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