GLYCOMSSIM, A SOFTWARE PACKAGE FOR PROCESSING QUANTITATIVE GLYCOMICS DATA

这个子项目是利用资源的许多研究子项目之一。 由NIH/NCRR资助的中心拨款提供。对子项目的主要支持 子项目的首席调查员可能是由其他来源提供的， 包括美国国立卫生研究院的其他来源。为子项目列出的总成本可能 表示该子项目使用的中心基础设施的估计数量， 不是由NCRR赠款提供给次级项目或次级项目工作人员的直接资金。 在过去的两年中，我们发展了谷氨酰胺的氨基糖同位素检测(IDAWG)，作为一种非常有效的方法来定量生物样品中N-和O-多糖的数量。这种方法是基于15N原子的氨基糖的代谢(体内)标记。含有这些原子的葡聚糖的质谱分析包含有关生长介质中来自轻(自然丰度)和重(同位素浓缩)前体的分子比例的定量信息。这种定量信息的提取并非易事，特别是对于由于污染分子而具有显著噪声和/或信号的高通量频谱数据。我们正在开发软件，利用与IDAWG相关的方法处理体内标记多聚糖产生的质谱学数据。

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.