High-Field NMR for Metabolite Fingerprinting in Complex Biofluids Institute for Analytical Sciences ybutyr ate Glycop ro (N-ace tein tyl) tatic 0.5 Metas 1 0.4 ine 0.2 7 ed 7 6.5 6 5 1 H Che mical 4 3 Shift (p pm) Localiz 7.5 8 Corre 0.3 lation 9 −2 8 9 3 lanine Phenyla 2 0 −0.2 etate x 10 −3 −0.1 3-hydr ox 10 Aceto ac Glycer ol 0 Histid OPLS coeffi cients ( a.u.) Glycer ol 0.1 2 1 0 0.1 0 RESEARCH TOPIC NMR methodology for the study of complex metabolite mixtures in biofluids and tissues European Center for High Field NMR State-of-the art spectrometers World strongest 1000 MHz NMR spectrometer u High-throughput equipments for very high-field solution and HR-MAS NMR metabolomics Project: The project will be oriented to the development of novel NMR strategies for high-throughput studies of metabolism by solution or high-resolution magic-angle spinning (HR-MAS) NMR. Unambiguous identification of individual metabolites (small molecules) present in complex biofluids such as urine, blood serum or culture media constitutes a crucial prerequisite for quantitative metabolomics, towards better understanding of biochemical processes in living systems. The proposed project will develop new approaches based on projection spectroscopy for fast multidimensional NMR correlation, and the combined use of novel algorithms for efficient metabolite identification. Association of separation methods for sample preparation will also be investigated to increase the observable dynamic range in solution. Background: The candidate should optimally have a strong background in physical chemistry or chemistry. Additional knowledge of scientific programming would be a plus, but is not required. References: 1. Blaise B., Giacomotto, J., Triba, M. N., Toulhoat, P., Piotto, M., Emsley, L., Segalat, L., Dumas, M. & Elena, B. J. Proteome Res. 8, 2542-2550, (2009). 2. C. Pontoizeau, T. Herrmann, P. Toulhoat, B. Elena-Herrmann* and L. Emsley, Magn. Reson. Chem. 48(9), 727-733 (2010) 3. Choucha Snouber L., Bunescu, A., Naudot, M., Legallais, C., Brochot, C., Dumas, M. E., Elena, B. & Leclerc, E. Toxicol. Sci. 132, 8-20 (2013). 4. Jobard E., Pontoizeau, C., Blaise, B. J., Bachelot, T., Elena-Herrmann, B. & Trédan, Cancer Lett. 343, 33-41 (2014). Supervisor and contact information Institut des Sciences Analytiques UMR 5280 CNRS / ENS Lyon / UCB Lyon 1 5 rue de la Doua, 69100 Villeurbanne, France Dr. Bénédicte Elena-Herrmann Email: [email protected] Website: http://isa-lyon.fr/?profile_cct=benedicte-elena-herrmann