质量同位素分布的集成和快速分析程序 (PIRAMID)
Javier D Gomez1, Martha L Wall1, Mohsin Rahim1
1Department of Chemical and Biomolecular Engineering, Vanderbilt University, Nashville, TN, 37240, United States.
Bioinformatics (Oxford, England)
|October 27, 2023
概括
皮拉米德软件从质谱数据准确量化质同位素分布 (MID). 该工具增强了稳定同位素标记分析,为代谢学研究提供了高效和可重复的结果.
科学领域:
- 代谢学 代谢学 代谢学
- 系统生物学 系统生物学
- 生物化学 生化学
背景情况:
- 稳定同位素标记实验对于代谢流量分析至关重要.
- 一般的代谢学软件往往缺乏专门的工具来准确量化质同位素分布 (MID).
- 现有的工具可能无法有效地处理同位素信息提取的复杂性.
研究的目的:
- 介绍PIRAMID (质量同位素分布的集成和快速分析程序),这是一个基于MATLAB的新软件.
- 提供一个用户友好的,GUI驱动的解决方案,用于从质谱 (MS) 数据中自动提取MID.
- 解决在稳定同位素标记研究中对MIDs进行准确,高效和可重复量化的需求.
主要方法:
- PIRAMID自动地从MS数据集中提取同位素信息.
- 它同时从各种数据文件中提取多种代谢物的离子染色图.
- 该软件集成了MID,使用用户定义的分子公式对自然同位素背景进行校正.
主要成果:
- PIRAMID支持低分辨率和高分辨率的MS,以及MS/MS数据.
- 它可以分析使用各种同位素 (例如,2H,13C,15N,18O,34S) 的单一或双重标记实验.
- 该工具提供了质量同位素分布的准确和可重复量化.
结论:
- 皮拉米德 (PIRAMID) 是一种专门的工具,它填补了代谢学软件的关键缺口.
- 它为分析稳定同位素标记实验提供了精简的工作流.
- 该软件提高了生物研究中同位素分析的准确性和效率.
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