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Comparative Analysis of MALDI-TOF Mass Spectrometric Data in Proteomics: A Case Study

机译:蛋白质组学中MALDI-TOF质谱数据的比较分析:一个案例研究

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摘要

Mass spectrometry is a well-known technology used for the analysis of pure compounds as well as mixtures, widely applied in large-scale studies such proteomic studies. The result of mass spectrometric analyses is a mass spectrum, a profile of mass/charge values and corresponding intensity values originated from the analyzed compounds. In the case of large-scale analyses, raw mass spectra comparisons are difficult due to different drawback typologies: data defects, unusual distributions, underlying disturbs and noise, bad data calibration. A bunch of data elaborations is essential, from data processing to feature extraction, in order to obtain a list of peaks from different mass spectra. In this work, a workflow has been developed to process raw mass spectra and compare the new tidy ones with the aim of defining a robust procedure, suitable for real applications and reusable for different kind of studies. A similarity measure has been used for comparison purposes, in order to verify similarity among replicates and differences among analyzed samples, and a clustering method has been performed on fish species, in order to discover how they cluster statistically. A case study is shown with the application of the processing method to data obtained from the analysis of different fish species.
机译:质谱分析是一种众所周知的技术,用于分析纯化合物和混合物,已广泛应用于蛋白质组学研究等大规模研究中。质谱分析的结果是质谱图,质荷值分布图和源自分析化合物的相应强度值。在大规模分析的情况下,由于缺陷类型不同,原始质谱图比较困难:数据缺陷,异常分布,潜在的干扰和噪声,不良的数据校准。从数据处理到特征提取,一堆数据分析是必不可少的,以便从不同的质谱图中获得峰的列表。在这项工作中,已经开发出一种工作流程来处理原始质谱图,并比较新的整齐的质谱图,以定义一个健壮的过程,适用于实际应用并可重复用于各种研究。为了验证重复性之间的相似性以及所分析样品之间的差异,已将相似性度量用于比较目的,并且已经对鱼类进行了聚类方法,以发现它们如何进行统计聚类。通过将处理方法应用于从不同鱼类物种分析获得的数据,显示了一个案例研究。

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