Department of Chemistry and Biochemistry, Faculty of Agronomy, Mendel University in Brno, Brno, Czech Republic.
PLoS One. 2012;7(11):e49654. doi: 10.1371/journal.pone.0049654. Epub 2012 Nov 19.
Proteomics and metalloproteomics are rapidly developing interdisciplinary fields providing enormous amounts of data to be classified, evaluated and interpreted. Approaches offered by bioinformatics and also by biostatistical data analysis and treatment are therefore of extreme interest. Numerous methods are now available as commercial or open source tools for data processing and modelling ready to support the analysis of various datasets. The analysis of scientific data remains a big challenge, because each new task sets its specific requirements and constraints that call for the design of a targeted data pre-processing approach.
METHODOLOGY/PRINCIPAL FINDINGS: This study proposes a mathematical approach for evaluating and classifying datasets obtained by electrochemical analysis of metallothionein in rat 9 tissues (brain, heart, kidney, eye, spleen, gonad, blood, liver and femoral muscle). Tissue extracts were heated and then analysed using the differential pulse voltammetry Brdicka reaction. The voltammograms were subsequently processed. Classification models were designed making separate use of two groups of attributes, namely attributes describing local extremes, and derived attributes resulting from the level=5 wavelet transform.
CONCLUSIONS/SIGNIFICANCE: On the basis of our results, we were able to construct a decision tree that makes it possible to distinguish among electrochemical analysis data resulting from measurements of all the considered tissues. In other words, we found a way to classify an unknown rat tissue based on electrochemical analysis of the metallothionein in this tissue.
蛋白质组学和金属蛋白质组学是快速发展的跨学科领域,提供了大量需要分类、评估和解释的数据。因此,生物信息学以及生物统计学数据分析和处理提供的方法极具研究价值。现在有许多商业或开源工具可用于数据处理和建模,随时准备支持各种数据集的分析。科学数据分析仍然是一个巨大的挑战,因为每个新任务都有其特定的要求和限制,需要设计有针对性的数据预处理方法。
方法/主要发现:本研究提出了一种数学方法,用于评估和分类通过电化学分析大鼠 9 种组织(脑、心、肾、眼、脾、性腺、血、肝和股骨肌肉)中的金属硫蛋白获得的数据集。组织提取物经过加热,然后使用 Brdicka 反应的差示脉冲伏安法进行分析。随后对伏安图进行处理。分类模型的设计分别使用了两组属性,即描述局部极值的属性和源自 5 级小波变换的派生属性。
结论/意义:根据我们的结果,我们能够构建一个决策树,使我们能够区分来自所有考虑组织的测量的电化学分析数据。换句话说,我们找到了一种根据该组织中金属硫蛋白的电化学分析来对未知大鼠组织进行分类的方法。