快速全二维液相色谱-质谱联用系统的构建及其用于转基因水稻的代谢组学研究

项目名称： 快速全二维液相色谱-质谱联用系统的构建及其用于转基因水稻的代谢组学研究

项目编号： No.21275141

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 数理科学和化学

项目作者： 石先哲

作者单位： 中国科学院大连化学物理研究所

项目金额： 80万元

中文摘要： 针对目前全二维液相色谱存在的分析时间长、峰容量损失和稀释效应等制约因素，本项目拟通过化学气相沉积法将碳沉积在多孔Al2O3和Al/SiO2微球表面，研制高比表面、高柱效的新型耐高温色谱柱。将其作为第二维柱，通过高温和高压的结合实现第二维的快速分析，从而增加第一维峰的调制次数，提高总峰容量和缩短分析时间，构建高通量、高分辨、高灵敏的快速全二维液相色谱-质谱联用系统。结合欧氏距离和谱图相关性优化算法，开发适用于全二维液相色谱-质谱系统的峰匹配和谱图对比软件，解决复杂二维代谢数据处理难题。以抗虫性转基因水稻为研究对象，利用建立的全二维系统对转基因水稻和野生型水稻进行代谢组学分析，建立水稻的二维代谢指纹谱，找到差异代谢物，监测转基因水稻是否引入了非预期的代谢反应。

中文关键词： 多维液相色谱；液相色谱柱；代谢组学；；

英文摘要： Comprehensive two-dimensional liquid chromatography (LC×LC) is a powerful tool for analysis of complex biological samples. However, the very long timescale (typically several hours to tens of hours) of LC×LC is clearly its chief drawback. In the project, the carbon phase coated on the high surface area of alumina (C/Al2O3) and silica particles (C/Al/SiO2) will be developed, which can provide higher retentivity and comparable selectivity than C/ZrO2. Based on the novel high temperature columns, a fast comprehensive two-dimensional liquid chromatography/mass spectrometry system (LC×LC-MS) will be carried out by utilizing high temperature and high pressure to decrease the time needed to do the second dimension.The system can provide a high peak capacity of two dimensional separations in a relatively short analysis time. In addition, LC×LC generates rich information and complex peak patterns that require automated processing for peak alignment. A novel peak alignment algorithm will be developed using a distance and spectrum correlation optimization method. This algorithm can detect and merge multiple peak entries of the same metabolite into one peak entry in each input peak list.A progressive retention time map searching method will be used to align metabolite peaks in all samples together based on optimization of

英文关键词： multi-dimensional liquid chromatography；chromatographic column；metabolomics；；