核磁共振光谱和质谱在代谢组学中的优势和劣势
Advantages and shortcomings of nuclear magnetic resonance spectroscopy and mass spectrometry in metabolomics
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摘要: 代谢组学不仅能区分组织器官的正常状态与否, 同时能给出毒性作用的靶器官及作用机制, 识别出疾病相关的生物标志物。对生物标志物的查找以及相关代谢网络的系统研究, 有助于科研人员了解疾病的产生机理, 从而实现对疾病的合理诊断以及对症治疗。目前, 代谢组学研究中最为有效的研究方法为核磁共振光谱法和质谱法。与传统方法相比, 核磁共振光谱法操作简便, 不需要额外的样品制备步骤, 如分离或衍生化。基于质谱的代谢组学研究则提供了一个高灵敏度和高选择性相结合的平台。此外, 使用多种质谱方法, 例如不同的电离技术和质量分析器技术, 能够大大增加检出的代谢物数量。综述了代谢组学的研究方法, 包括一维核磁共振氢谱、二维核磁共振氢谱、液相色谱质谱、气相色谱质谱等。另外, 比较了这些方法的原理与主要优缺点。Abstract: Metabolomics can not only distinguish the normal state of tissues and organs, but also give the target organs and mechanisms of toxic effects, and identify disease-related biomarkers. The search for biomarkers and the systematic study of related metabolic networks will help us understand the mechanism of disease, so as to achieve reasonable diagnosis and symptomatic treatment of disease. At present, the most effective research methods in metabolomics research are nuclear magnetic resonance spectroscopy and mass spectrometry. Compared with traditional methods, NMR spectroscopy is simple to operate and does not require additional sample preparation steps such as isolation or derivatization. Mass spectrometry based metabolomics studies provide a platform that combines high sensitivity and high selectivity. In addition, the use of multiple mass spectrometry methods, such as different ionization techniques and mass analyzer techniques, can greatly i-ncrease the number of metabolites detected. The research methods of metabolomics are reviewed, including one-dimension-al HNMR spectroscopy, two-dimensional HNMR spectroscopy, liquid chromatography-mass spectrometry, gas chromatography mass spectrometry, and so on. In addition the principles and main advantages and disadvantages of these methods are compared.