National Chinmedomics Research Center, Sino-America Chinmedomics Technology Collaboration Center, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Department of Pharmaceutical Analysis, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin, China.
National Chinmedomics Research Center, Sino-America Chinmedomics Technology Collaboration Center, National TCM Key Laboratory of Serum Pharmacochemistry, Laboratory of Metabolomics, Department of Pharmaceutical Analysis, Heilongjiang University of Chinese Medicine, Heping Road 24, Harbin, China.
J Chromatogr B Analyt Technol Biomed Life Sci. 2019 Mar 1;1109:112-120. doi: 10.1016/j.jchromb.2019.01.017. Epub 2019 Feb 2.
Identification of metabolic alterations is useful for elucidating the pathophysiology and mass spectrometry-aided metabolomic, which provides small molecule metabolites to understand underlying mechanisms of complex diseases. In this work, we developed a novel liquid chromatography coupled with tandem mass spectrometry-based metabolomics screen coupled with multivariate statistical analysis workflow to obtaining the metabolite annotation, visualization and rapid characterization of small molecular metabolites, then revealed the altered metabolic pathway in a rat model of alcohol-induced liver damage rats as case study. The ions were detected in both positive and negative mode, and the key biomarkers were selected through multivariate statistical screening analysis. We employed the enhanced mass spectrometry coverage method to comprehensive analysis of the metabolite data. Importantly, we further find these small molecule metabolites were associated with multiple metabolic pathways. The elucidation of these altered metabolic pathways should help identify new and specific therapeutic targets. In addition, this metabolomics workflow coupled to LC-MS/MS has been successfully applied to the identification of small molecule metabolites in this complex disease. We strongly believe that metabolomics studies will benefit from incorporating liquid chromatography coupled with tandem mass spectrometry strategies.
代谢物的鉴定对于阐明生理病理学和基于质谱的代谢组学非常有用，它提供小分子代谢物来了解复杂疾病的潜在机制。在这项工作中，我们开发了一种新的液相色谱-串联质谱联用代谢组学筛选方法，并结合多变量统计分析工作流程，以获得代谢物注释、小分子代谢物的可视化和快速特征描述，然后以酒精诱导的肝损伤大鼠模型为案例研究，揭示了改变的代谢途径。离子在正、负离子模式下均被检测到，并通过多变量统计筛选分析选择关键生物标志物。我们采用增强的质谱覆盖方法对代谢物数据进行全面分析。重要的是，我们进一步发现这些小分子代谢物与多种代谢途径有关。阐明这些改变的代谢途径应该有助于确定新的和特定的治疗靶点。此外，该液相色谱-串联质谱联用代谢组学工作流程已成功应用于这种复杂疾病中小分子代谢物的鉴定。我们坚信，代谢组学研究将受益于液相色谱-串联质谱联用策略的引入。
