BLANKA: an Algorithm for Blank Subtraction in Mass Spectrometry of Complex Biological Samples
BLANKA: an Algorithm for Blank Subtraction in Mass Spectrometry of Complex Biological Samples
复制标题
DOI：
10.1007/s13361-019-02185-8
复制
发表时间：
2019-08-01
影响因子：
3.2
通讯作者：
Sanchez, Laura M.
中科院分区：
文献类型：
--
作者：
Cleary, Jessica L.;Luu, Gordon T.;Sanchez, Laura M.
已知多物种微生物组系统与人类、动物和植物的生命过程密切相关。代谢组学领域的不断发展提供了检测微生物物种相互作用的整体代谢组学特征变化的机会。这些代谢组学变化提供了对代谢物功能的深入了解，因为它们与不同物种的存在和观察到的表型变化相关，但在具有复杂背景的样品中检测微妙的变化通常很困难。土壤和食物等自然环境含有许多分子，这些分子使基于质谱的分析变得复杂，而环境代谢物中微生物代谢物的识别是我们在这里开始解决的一个信息学问题。我们的微生物在固体或液体奶酪凝乳培养基上生长。这种微生物生长所必需的培养基含有大量的盐、脂质和酪蛋白分解产物，由于培养基的高背景，使得使用 LC-MS/MS 数据进行统计分析变得困难。我们开发了一种简单的算法来对固体或液体奶酪凝乳培养基上生长的微生物进行背景扣除，以帮助我们进行统计分析，以便我们可以优先考虑代谢物以进一步阐明结构。
Multispecies microbiome systems are known to be closely linked to human, animal, and plant life processes. The growing field of metabolomics presents the opportunity to detect changes in overall metabolomic profiles of microbial species interactions. These metabolomic changes provide insight into function of metabolites as they correlate to different species presence and the observed phenotypic changes, but detection of subtle changes is often difficult in samples with complex backgrounds. Natural environments such as soil and food contain many molecules that convolute mass spectrometry-based analyses, and identification of microbial metabolites amongst environmental metabolites is an informatics problem we begin to address here. Our microbes are grown on solid or liquid cheese curd media. This medium, which is necessary for microbial growth, contains high amounts of salts, lipids, and casein breakdown products which make statistical analyses using LC-MS/MS data difficult due to the high background from the media. We have developed a simple algorithm to carry out background subtraction from microbes grown on solid or liquid cheese curd media to aid in our ability to conduct statistical analyses so that we may prioritize metabolites for further structure elucidation.