Daten zum Projekt
Initiative: | Kurswechsel – Forschungsneuland zwischen den Lebenswissenschaften und Natur- oder Technikwissenschaften |
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Ausschreibung: | Planning Grants |
Bewilligung: | 11.06.2021 |
Laufzeit: | 1 Jahr |
Projektinformationen
Laboratory instruments can now detect signals from thousands of metabolites in biological samples. With these data, goals that were beyond reach, such as identifying food intake biomarkers or compounds formed in the gut microbiota, become reachable. But major obstacles remain. Currently no more than 20% of the overall metabolites can be identified through spectral analysis of their fragments, and this is really the main bottleneck for innovation. ELution's main goal is to implement a new multidisciplinary concept to enhance annotation of metabolites by (a) integrating existing metabolomics platforms for more accurate combined annotation, and (b) supplementing mass spectral databases with synthetic mass spectra from quantum chemistry-based simulation methods. This highly improved annotation of metabolites will allow to create new possibilities in data analysis and knowledge discovery. By combining multidisciplinary expertise in one lab, the applicants propose a synergy with the potential of a large impact in nutrition, and human health in general.
Projektbeteiligte
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Edoardo Di Napoli, Ph. D.
Forschungszentrum Jülich GmbH
Jülich Supercomputing Centre (JSC)
Institute for Advanced Simulation (IAS)
Simulation and Data Laboratory
"Quantum Materials" (SDLQM)
Jülich
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Prof. Rasmus Bro
University of Copenhagen
Faculty of Science
Department of Food Science
Chemometrics Group
Frederiksberg
Dänemark
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Prof. Dr. Lars Ove Dragsted
University of Copenhagen
Department of Nutrition, Exercise
and Sports
Preventive and Clinical Nutrition
Frederiksberg C
Dänemark
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Prof. Dr. Stefan Grimme
Universität Bonn
Mulliken Center for Theoretical Chemistry
Institut für Physikalische und Theoretische Chemie
Bonn