蜂蜜NMR谱波峰比对分析系统初探  

The Analysis System for the Alignment of Honey NMR Spectroscopy

作　　者：许庆炜[1] 

机构地区：[1]湖北第二师范学院计算机学院,武汉430205

出　　处：《湖北第二师范学院学报》2011年第2期44-46,共3页Journal of Hubei University of Education

基　　金：湖北省科技计划自然科学基金一般项目(2010CDB01401);湖北第二师范学院院管重点项目资助

摘　　要：在有机分子结构测定领域,磁共振谱扮演了非常重要的角色。本项目以蜂蜜磁共振谱为研究对象,通过构建蜂蜜NMR基础谱库,将异构的实验数据以统一的方式进行持久化存放。在此基础上,我们集成多种开源的NMR数据分析软件包,为用户提供一个从数据导入、处理到可视化输出的波谱波峰对比分析工作流平台。Liquid chromatography coupled to mass spectrometry is a prominent technology for the analysis of complex proteomic samples.However,the data resulting from an LC-MS experiment is huge,highly complex and noisy.Accordingly,it has sparked new developments in Bioinformatics,especially in the fields of algorithm development.In this paper,we developed a workflow-based platform for integrating multiple algorithms to align LC-MS samples and to match corresponding ion species across samples.Integrative these algorithms and tools,facilitate knowledge exchange within different research fields.

关 键 词：NMR 工作流 形态聚类 

分 类 号：Q811.4[生物学—生物工程]