Session TOC. There are 5 abstracts in this session.

Session: METABOLOMICS 1, time: 10:00 - 10:15 am

Complete profiling of lipid mixtures by 1H NMR and 13C NMR: Application to hen eggs authentication

Serge Akoka1; Ghina Hajjar1, 2; Lenny Haddad1, 2; Toufic Rizk2; Gerald Remaud1; Joseph Bejjani2
1CEISAM, UMR 6230, CNRS/Université de Nantes, Nantes, France; 2LMIF, Saint-Joseph University of Beirut, Beirut, Lebanon

NMR is a major analytical tool used for food matrices authentication. In this respect, lipids can be considered as a source of quasi-universal biomarkers due to their ubiquitous presence in food products. 1H and 13C NMR can be used for complete characterization of lipids. Analyzes of triacylglycerols (TAG), phospholipids (PL), and cholesterol were carried out after improving extraction protocols and acquisition and processing conditions. Hen egg served as a model matrix to conduct our investigations. Metabisotopomic (metabolomic and isotopic) data resulting from spectral deconvolution allow classification of samples according to their origin, to the hen breed, and to the farming system. Metabolomic variables were also used for the individual quantification of fatty acids within TAG and PL.

Session: METABOLOMICS 1, time: 8:30 - 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: 8:55 - 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: 9:20 - 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: 9:45 - 10:00 am

NMR-based Metabolomics to Assess Response to Immune Checkpoint Inhibitors in Patients with Non-Small-Cell Lung Cancer

Veronica Ghini
CERM, University of Florence, Sesto Fiorentino (Fi), Italy

One of the most innovative and effective strategy for cancer is the immunotherapy. Novel therapeutic approaches involving checkpoint inhibitors, like the anti PD-1 therapies, can reactivate immune responses against cancer cells. Unfortunately, complete response remains uncommon, and some patients do not respond at all. Here, NMR-based metabolomics has been used to identify a metabolomic “signature” that differentiates responders vs. non-responders to anti-PD1 drug. 1H NMR spectra were acquired on serum samples collected from Non-Small-Cell Lung Cancer patients before the beginning of the therapy and were used to build an OPLS model able to predict the patients that benefit from immunotherapy.