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数据驱动工具,用于在量化蛋白质组学中进行交叉离子选择和峰值选择,并采用数据独立采集LC-MS/MS

Binjun Yan¹, Mengtian Shi^1,2, Siyu Cai^1,2

¹Key Laboratory of Systems Biology, School of Life Science, Hangzhou Institute for Advanced Study, University of Chinese Academy of Sciences, Chinese Academy of Sciences, Hangzhou 310024, China.

Analytical chemistry

|October 31, 2023

概括

我们开发了CRISP-DIA,这是一种用于数据独立获取 (DIA) 蛋白质组学的新工具. 它通过分析多个运行来提高量化准确性,减少错误并增强差异表达蛋白质的检测.

科学领域:

蛋白质组学是指蛋白质组学.
质谱测量质量谱测量
计算生物学计算生物学

背景情况:

液体染色学-并联质谱学 (LC-MS/MS) 对蛋白质组学至关重要.
数据独立采集 (DIA) 提高了LC-MS/MS的可重现性,但由于峰值选择和离子选择问题,它面临量化错误.

研究的目的:

引入一个新的工具,交叉运行离子选择和峰值选择 (CRISP),用于改进 DIA 蛋白质组学数据处理.
为了解决现有的DIA工具中峰值选择错误和不正确的离子选择引起的量化偏差.

主要方法:

CRISP同时分析多个运行中的DIA数据,以过干扰信号,利用运行到运行的一致性.
基准测试涉及来自不同质谱仪和分析仪的八个不同的数据集,将CRISP-DIA与其他DIA处理工具进行比较.

主要成果:

与其他工具相比,CRISP-DIA显示,与其他工具相比,具有高含量变异的分析剂的错误率相对下降了20-50%.
它改善了差异表达蛋白质的检测,在某些情况下增加了3.3-90.3%的真阳性,并减少了12.3-35.3%的假阳性.
真实生物数据集显示了与CRISP-DIA的增强量化一致性.

结论:

通过整合来自多个DIA运行的数据,CRISP-DIA显著提高了蛋白质组学中的量化准确性.
该工具有效过干扰信号,从而更可靠地识别和量化蛋白质和.
这种方法突显了多次运行数据同化对于强大的定量蛋白质组学的好处.

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