Applications of nmr based metabolomics from cells to human body fluids to food

Abstract

Living organisms possess the ability to tune themselves in response to various Intra andextracellular cues which in turn creates an assortment of metabolites in the cellular soup Metabolomics 8211 the science that deals with the identification and quantification of metabolites in a biological system under a set of conditions 8211 is gaining recognition as a powerful tool thathelps to comprehend the effect of various stressors and environmental conditions on themetabolome of a biological system In fact NMR based metabolomics is being used indifferent areas including disease biology medicine pharmacy toxicology food andenvironmental sciences etc to obtain the metabolic fingerprint associated with differentbiological systems The work carried out in this PhD thesis has focussed on the analysis of samples rangingfrom animal cells microbial cultures plants to human body fluids using a metabolomicsapproach In the first chapter we describe and illustrate the methods commonly used in NMR based metabolomics This chapter provides an overview of metabolomics and cover topics such as sample preparation multiple analytical platforms required to study metabolome descriptionof NMR experiments various spectral pre and post processing steps needed to analyze rawspectral data data processing tools to eliminate spectral artifacts and remove biologicallyirrelevant variations statistical analysis for data interpretation and modelling for validation The second chapter of my thesis provides information about important parametersrelated to methods used in this work e g NMR experiments metabolomics spectral databases computational tools for metabolomic data and pathway analysis software packages formetabolite identification their quantification and types of analysis that have been performedfor data interpretation and feature selection In the third and fourth chapter of the thesis we have aimed at identifyin newline newline