GLYCOMSSIM, A SOFTWARE PACKAGE FOR PROCESSING QUANTITATIVE GLYCOMICS DATA

这个子项目是许多利用资源的研究子项目之一 由NIH/NCRR资助的中心拨款提供。子项目的主要支持 而子项目的主要调查员可能是由其他来源提供的， 包括其它NIH来源。 列出的子项目总成本可能 代表子项目使用的中心基础设施的估计数量， 而不是由NCRR赠款提供给子项目或子项目工作人员的直接资金。 在过去的两年中，我们开发了谷氨酰胺氨基糖同位素检测（IDAWG）作为一种非常强大的方法，用于定量生物样品中的N-和O-聚糖的量。 该方法基于用15 N原子代谢（体内）标记氨基糖。 含有这些原子的聚糖的质谱分析包含关于生长培养基中源自轻（天然丰度）和重（同位素富集）前体的分子比例的定量信息。 这种定量信息的提取是不平凡的，特别是对于具有显著噪声和/或信号的高通量光谱数据，由于污染分子。 我们正在开发软件来处理使用IDAWG相关方法通过聚糖的体内同位素标记产生的质谱数据。

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. Primary support for the subproject and the subproject's principal investigator may have been provided by other sources, including other NIH sources. The Total Cost listed for the subproject likely represents the estimated amount of Center infrastructure utilized by the subproject, not direct funding provided by the NCRR grant to the subproject or subproject staff. Over the past two years, we have developed Isotopic Detection of Aminosugars With Glutamine (IDAWG) as a very powerful method for quantifying the amounts of N- and O-glycans in biological samples. This method is based on metabolic (in vivo) labeling of amino sugars with 15N atoms. Mass spectral analysis of the glycans containing these atoms contans quantitative information regarding the proportions of the molecules that are derived from light (natural abundance) and heavy (isotopically enriched) precursors in the growth medium. Extraction of this quantitative information is not trivial, especially for high-throughtput sprectral data with significant noise and/or signals due to contaminating molecules. We are developing software to process mass spectral data generated by in vivo isotopic labeling of glycans using methods related to IDAWG.