CR UK Institute for Cancer Studies, University of Birmingham, Edgbaston, Birmingham, B15 2TT, UK.
Magn Reson Chem. 2009 Dec;47 Suppl 1:S68-73. doi: 10.1002/mrc.2519.
The study of small molecules in body fluids has become an important tool to monitor the state of biological organisms. Applications range from model studies using cell lines to applications where human body fluids are used to monitor disease states or drug responses. NMR spectroscopy has been an important tool for metabolomics although severe overlap of signals has limited the number of compounds, which can be unambiguously identified and quantified. Therefore, deconvolution of NMR spectra is one of the greatest challenges for NMR-based metabolomics. This has commonly been achieved by using multidimensional spectra that have the disadvantage of requiring significantly longer acquisition times. Recently, a number of methods have been described to record NMR spectra much faster. Here, we explore the use of Hadamard-encoded TOCSY spectra to simultaneously select multiple lines from crowded NMR spectra of blood serum samples to acquire pseudo-two-dimensional spectra in minutes which would otherwise require many hours. The potential of this approach is demonstrated for the detection of a signature for colorectal cancer from human blood samples.
体液中小分子的研究已成为监测生物机体状态的重要工具。其应用范围从使用细胞系的模型研究到使用人体体液来监测疾病状态或药物反应的应用。尽管信号的严重重叠限制了可以明确识别和定量的化合物数量，但 NMR 光谱学一直是代谢组学的重要工具。因此，NMR 光谱的解卷积是基于 NMR 的代谢组学的最大挑战之一。这通常是通过使用多维光谱来实现的，而多维光谱的缺点是需要显著更长的采集时间。最近，已经描述了许多方法来更快地记录 NMR 光谱。在这里，我们探索了使用 Hadamard 编码的 TOCSY 光谱来同时从血清样本的拥挤 NMR 光谱中选择多个谱线，以在数分钟内获得准二维光谱，而这在其他情况下则需要数小时。该方法的潜力已从人血样本中用于检测结直肠癌的特征得到证明。
