Chapter 8: Techniques for converting metabolomic data for analysis

Before conducting any type of metabolomics data analysis, conversions of the raw data are necessary. This chapter describes the most common techniques used to convert data (aka, pre-treatment operations) obtained from metabolomics investigations. Biological data typically show one or more variables with peculiar statistical characteristics in terms of data distribution (e.g., non-normality or asymmetric distribution). Therefore, it is necessary to transform the data in order to eliminate or mitigate these peculiarities (i.e., normalize the data) that could affect data analysis and interpretation. Furthermore, the multivariate characteristic of information that is common with large datasets from metabolomic investigations, requires data to be comparable and not have a predominant weight in terms of quantitative presence and variability. Data derived from both mass spectrometry and nuclear magnetic resonance are particularly needing of conversion which tend to minimize the effects generated by analytical variability. For these reasons, techniques such as centering and scaling operations as well as transformation are essential steps to correctly prepare the datasets.

Department of Biological and Environmental Sciences, University of Tennessee-Chattanooga, Chattanooga, TN 37403 - Department of Biological and Environmental Sciences, University of Tennessee-Chattanooga, Chattanooga, TN 37403, USA; Department of Obstetrics and Gynecology  University of Tennessee Health Science Center College of Medicine Chattanooga, TN 37403 

Over the last 25 years Dr. Richards has conducted research on the exposure and effects of multiple toxicants on organisms ranging from bacteria to humans. These toxicants include herbicides, insecticides, pharmaceuticals, Bisphenol A, Poly Aromatic Hydrocarbons, Per- and Polyfluoroalkyl Substances, metals, and Poly Chlorinated Biphenyls. Dr. Richards also has experience with the laws and regulations which govern exposure to toxicants through air, soil, and water. 
Most recently, Dr. Richards has focused on metabolomics.  Specifically,  the alterations of metabolomes in response to toxicants or in populations of humans affected by endometrial cancer, congenital malformations, endometriosis, polycystic ovarian syndrome, and fetal central nervous system anomalies.  The goal of this research is to determine specific biochemical pathways associated with the affected populations. Ultimately, understanding the changes in the metabolome as a result of disease or intoxication can lead to early detection and personalized treatments.

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