Session TOC. There are 4 abstracts in this session.

Session: METABOLOMICS 1, time: 08:30 - 8:55 am

NMR Metabolomics: A Look Ahead

David Wishart
University of Alberta, Edmonton, Canada

NMR has been used to perform metabolic studies, metabolic profiling and metabolomics in biofluids and tissues for more than 40 years. This close connection between metabolic measurements and NMR has flourished because of NMR’s many unique strengths for characterizing the chemical composition of complex mixtures. However, a number of other technologies, including mass spectrometry, have appeared in the past few years that are encroaching on NMR’s dominance in metabolomics and metabolic studies. In this presentation I will highlight some of the current strengths and existing limitations of NMR-based metabolomics. I will also describe a number of recent advances in NMR hardware, software and methodologies which should allow NMR-based metabolomics to win back some of its “lost lustre”.

Session: METABOLOMICS 1, time: 08:55 - 9:20 am

Analytical Challenges for Environmental and Molecular Complexities by NMR Data Science

Jun Kikuchi
RIKEN Center for Sustainable Resource Science, Yokohama, Japan

Environmental homeostasis can be evaluated by data mining of analytical parameters from natural samples, such as environmental water. Firstly, I introduce ecoinformatics approach for integrated analysis of natural fishes, sediments and water. Moreover, I will demonstrate that the fishery products, such as fish muscles can be also evaluated metabolic profiles of analytical big-data, and their machine-learning approach.  Namely, quality control is essential in modern industry, including fishery and food industries. In these cases, benchtop NMR might potentially innovate the quality control process, identifying storage-based and fermentation-originating metabolic changes. Moreover, NMR has the tremendous advantages of metabolite mobility analysis in intact tissues, therefore I will introduce recently developed new pulse sequence, named SMOOSY, to visualize 3-dimensional diffusion/chemical shift/special information.

Session: METABOLOMICS 1, time: 09:20 - 9:45 am

Data architecture and analysis pipelines for high throughput health screening

Elaine Holmes2; Jeremy Nicholson1; Julien Wist3
1Murdoch University, Perth, Australia; 2Imperial College, London, United Kingdom; 3Universidad del Valle, Valle, Columbia

NMR-based metabolic profiling is a highly effective tool for characterizing and quantifying metabolites and exploring biochemical consequences of disease. It can be used to generate large-scale population data to provide insight into the association of genetic and environmental factors with disease risks. However, several limitations prevent the full potential of NMR as a translational healthcare platform. Here we discuss two strategies for overcoming technical limitations. The first involves development of a web browser-oriented metabolic profiling solution to promote data sharing ­and validation of metabolic profiling data. The second strategy involves creation of an interactive software pipeline for exploratory analyses of population-based omics datasets resulting in a semi-automated method for providing population statistics on latent diseases, diet and drug intake. 

Session: METABOLOMICS 1, time: 09:45 - 10:10 am

Quantitative Analysis of Unstable Metabolites in Biological Samples

G.A. Nagana Gowda; Daniel Raftery
University of Washington, Seattle, WA

Coenzymes including coenzyme A (CoA), acetyl coenzyme A (acetyl-CoA), coenzymes of redox reactions (NAD+, NADH, NADP+, NADPH) and energy (ATP, ADP, AMP), and antioxidants (GSH, GSSG) mediate biochemical reactions fundamental to the functioning of all living cells. The knowledge of cellular levels of these metabolites is critical for assessment of human health and diseases. However, owing to their notoriously unstable nature and the challenges with the conventional analysis methods, to date, no simple method exists to measure them in one step. In this study, we have evaluated sample harvesting, extraction and analysis protocols for tissue and blood specimens and developed optimized analysis methods. The new methods enable reliable analysis of the unstable metabolites in biological samples in a single step.