06/07/2017 | Coloquios en el CIBION
Arthur S. Edison – Viernes 7 de julio 11:00 hs
University of Georgia

Data Integration Strategies in Metabolomics

Identification of metabolites is the central challenge for metabolomics. LC-MS has great sensitivity and is excellent for targeted studies or identification of unknowns when accurate database matching is possible. NMR has lower sensitivity than MS but offers outstanding reproducibility and the ability to obtain atomic-level structures necessary for unknown metabolite identification. Ultimately, integrating both techniques is ideal, because they often provide complementary information. For unknown molecules, both are needed for a confident identification. However, putting NMR and LC-MS datasets together remains a challenging problem. We present a method to integrate NMR, LC-MS, and quantitative flow cytometry data of Caenorhabditis elegans. An efficient MATLAB script allows any of these datasets to be correlated, linking molecular information with developmental stage. I will use several applications from our recent work to illustrate these approaches.

Últimas entradas
Department Chemie, Ludwig-Maximilians-Universität München, Group Prof. Tinnefeld
Marie Skłodwska-Curie Fellow, Experimental Solid State Physics Imperial College London
Directora del Laboratorio de Desarrollo Analítico y Quimiometría (LADAQ), Cátedra de Química Analítica I de la FBCB, Universidad Nacional del Litora
Grupo de espectrometría de masas bioanalítica - CIBION CONICET