Programme Wednesday, 4 June 2014 Page 12:00 Registration 13:00 Opening 13:05 Keynote Lecture I: 10 The role of metabolomics in clinical and pharmacological research T. Hankemeier, University of Leiden/NL Methods for Metabolomics Chairs: R. Takors, Universitat Stuttgart/D D. Schomburg, TU Braunschweig/D 13:50 High-resolution metabolite profiling in biomarker 11 discovery N. Schauer, Metabolomic Discoveries GmbH, Potsdam/D 14:15 Unraveling metabolic regulation through time- 12 resolved metabolomics N.Zamboni, ETHZGrich/CH 14:40 Covering a blind spot of GC-MS: A robust HPLC 13 method for analyzing CoA intermediates from diverse microorganisms B.K. Muller, TU Braunschweig/D 15:05 Human metabolic individuality - stability, heritabili- 14 ty, and genetic underpinning of metabolite profiles in the general population G. Kastenmuller, Helmholtz Zentrum Munchen, Neuherberg/D 15:30 Coffee Break Microbial Metabolomics Chairs: U. Sauer, ETH Zurich/CH D. Schomburg, TU Braunschweig/D 15:50 Lipidomics of medically relevant organisms - a 15 systems based approach from the bench to field X. Guan, Swiss Tropical and Public Health Institute, Basel/CH 1 http://d-nb.info/1054363692 Programme 16:15 LC-MS-based metabolic profiling for stimulus- 16 response experiments in microbial L-Methionine LC- MS-based metabolic profiling for stimulus-response experiments in microbial L-Methionine producers A. Teleki, Universitat Stuttgart/D 16:40 Real-time metabolome profiling reveals dynamics 17 and regulation of the metabolic switch between starvation and growth H. Link, ETH ZQrich/CH 17:05 New tools for the validation and refinement of 18 genome-scale metabolic models A. Riemer, TU Braunschweig/D 17:30 Selected Talks from Posters 20:00 Nomination of Poster Awards (Award for the 3 best posters selected by all participants) Thursday, 5 June 2014 Plant Metabolomics Chairs: J.Kopka, Max-Planck-lnstitut fur molekulare Pflanzenphysiologie, Potsdam/D K. Niehaus, UniversitSt Bielefeld/D 09:00 High plant species-specificity in the leaf metabolome 19 responses to root colonization by an arbuscular mycorrhizal fungus R. Schweiger, Bielefeld University/D 09:25 New! 20 Quantitative metabolomics: a phantom? W. Wiechert, Forschungszentrum Julich GmbH/D 09:50 MALDI MS Imaging of human and animal tissues 21 K. Niehaus, Universitat Bielefeld/D 10:15 The earths critical zone: understanding the 22 subsurface hydro-geo-chemistry using metabolomic profiling N. Clberschaar, Max Planck Institute for Biogeochemistry, Jena/D 10:40 Coffee Break 2 Programme 11:00 Keynote Lecture II: 23 Design of metabolism for industrial bio-production of chemicals and materials C. Wittmann, Universitat des Saarlandes/D 11:45 Lunch Break Animal and Medicinal Metabolomics Chair H. Daniel, TU Munchen/D 12:45 A world-wide network for metabolomics data 24 exchange C. Steinbeck, European Bioinformatics Institute, Cambridge/UK 13:10 Metabolism and inflammation: 25 what pathway to look at? K. Hiller, Luxembourg Centre for Systems Biomedicine, Belval/LU 13:35 Role of metabolomics in dietary biomarkers and 26 personalised nutrition L. Brennan, University College Dublin/IE 14:00 Comprehensive GCxGC/qMS for non-targeted 27 metabolomics: analytical characteris-tics, data processing challenges and quality control strategy in large-scale studies S. Kuiling, Max-Rubner-lnstitut, Karlsruhe/D 14:25 Coffee Break Computational Data Integration Chairs: T. Nattkemper, Universitat Bielefeid/D K. Mauch, insilico Biotechnology AG, Stuttgart/D 14:45 High(er) throughput metabolite annotation 28 S. Neumann, Leibniz-lnstitut fur Pflanzenbiochemie, Halle/D 15:10 Searching PubChem with tandem mass 29 spectrometry data S. Bocker, Universitat Jena/O 15:35 Metabolic pathways in action 30 L. Blank, RWTH Aachen/D 3 Programme 16:00 Integration of metabolomics data in large-scale 31 models of photosynthetic organisms Z. Nikoloski, Max-Planck-lnstitut fur molekulare Pflanzenphysiologie, Potsdam/D 16:25 Closing Remarks 16:30 End of the Meeting Poster Programme Page P 01 Adaptation of Bacillus subtilis carbon core metabolism to 34 simultaneous nutrient limitation and salt stress: a multiomics perspective M. Kohlstedt. Saarland University, Saarbruecken/D; P.K. Sappa, University Medicine Greifswald/D; H. Meyer, S. MaalJ, University of Greifswald/D; T. Hoffmann, University of Marburg/D; J. Becker, Saarland University, Saarbrueck­ en/D; L. Steil, University Medicine Greifswald/D; M. Hecker, University of Greifswald/D; J.M. van Dijl, University of Gronin- gen/NL; M. Lalk, University of Greifswald/D; U. Mader, University Medicine Greifswald/D; J. Stiilke, Uni­ versity of T3oettingen/D; E. Bremer, University of Marburg/D; U. Vdlker, University Medicine Greifswald/D; C. Wittmann, Saarland University, Saarbruecken/D P 02 Metabolic pathway driven metabolomics and metabolite 35 identification using a high resolution MS/MS metabolite spectral library - a case study H. Neuweger, V. Tellstrom, Bruker Daltonik GmbH, Bremen/D; Z. Li, L. Li, University of Alberta, Edmonton/CDN; A. Barsch. Bruker Daltonik GmbH, Bremen/D P 03 First metabolomic studies of Clostridium'difficile 36 M. Neumann-Schaal. D. Schomburg, TU Braunschweig/D P 04 Hypoxanthine uptake and purine metabolism pathway 37 regulation in polarized epithelial cells N. Senvavina. SRC Bioclinicum LTD, Moscow/RUS; S. Tonevitskaya, Moscow State University of Mechanical Engineering (MAMI)/RUS P 05 Combination of stationary and non-stationary 13C flux 38 methods reveals a novel redox cofactor balancing me­ chanism in Bacillus subtilis M. Hflrl. U. Sauer, N. Zamboni, ETH ZQrich/CH P06 In vivo13C stable isotope tracing -qualitative pathway 39 interpretation F. Dethloff. J. Kopka, Max Planck Institute for Molecular Plant Physiology, Potsdam/D P 07 Profiling of acylcarnitines in plasma and tissues of 40 mouse models for type I and type II diabetes mellitus P. Giesbertz. M. Eidens, B. Spanier, H. Daniel, TU Munchen, Freising/D 5 Poster Programme P 08 Clrcadian metabolomics of glucocorticoid deficient 41 zebrafish larvae by NMR spectroscopy and MS B.D. Weger, M. Weger, B. Gorling, Karlsruhe Institute of Technology/D; G. Poschet, Centre for Organismal Studies, Heidelberg/D; M. Nusser, J. Gaus, G. Brenner-Weill, Karlsruhe Institute of Technology/D; R. Hell, Centre for Orga­ nismal Studies, Heideiberg/D; B. Luy, T. Dickmeis. Karlsruhe Institute of Technology/D P 09 The bridge to in vitro diagnostic - infrared spectroscopy 42 in research and clinical diagnostics M. linger, A. Schaefer, M. Winter. CETICS Healthcare Tech­ nologies GmbH, Esslingen am Neckar/D P 10 Metabolic and gene regulatory adaptation processes of 43 Dinoroseobacter shibae during oxygen depletion S. Kleist. S. Laali, D. Schomburg, TU Braunschweig/D P 11 Detailed investigation of catabolic pathways in Phaeo- 44 bacter inhibens DSM 17395 by non-targeted stable isotope analysis L. Reimer. K. Muller, D. Schomburg, TU Braunschweig/D P 12 Profiling-techniques to identify volatile compounds 45 responsible for off-flavors of virgin rapeseed oils A. Bonte. B. MatthSus, L. Briihl, Max Rubner-lnstitut, Detmold/D P13 Database, programming language, utilities 46 N. Putrino. FutureiTcom GmbH, Zug/CH; W. Starck, FHNW, Muttenz/CH P 14 Medium-chain, dicarboxylic acylcarnitines as markers of 47 peroxisomal fatty acid oxidation J. Fiamoncini. TU Munchen, Freising/D; T.M. Lima, Universi- dade de Sao Paulo/BR; S.M. Hirabara, R. Gorjao, Universi- dade Cruzeiro do Sui, Sao Paulo/BR; T. Romanatto, Univer- sidade de S3o Paulo/BR; A. Elolimy, National Research Cen­ ter, Cairo/ET; S. Worsch, B.L. Bader, H.D. Daniel, TU Mun­ chen, Freising/D; R. Curi, Universidade de S§o Paulo/BR P 15 New insights into carbohydrate metabolism of the ther- 48 moacidophilic crenarchaeon Sulfolobus solfataricus P2 J. Wolf. D. Schomburg, TU Braunschweig/D P16 The vegetative to generative phase transition in the cold: 49 a biological systems analysis of the arabidopsis thaliana in REIL mutants S. Schmidt, F. Dethloff, D. Walther, P. Giavalisco, A.A.P. Firming. J. Kopka, Max-Planck-lnstitut fur Molekulare Pflanzenphysiologie, Potsdam/D 6 Poster Programme P 17 A thermophilic bacterium under additional stress - 50 metabolom studies of Thermus thermophilus HB27 C. Nienhaaen. D. Schomburg, TU Braunschweig/D P 18 Non-targeted metabolomics in B103 neuroblastoma cell 51 lines as model for Lesch-Nyhan S.K. Tschirner, H. Bahre, R. Seifert, V. Kaever. Hannover Medical School/D P 19 The metabolism of the marine all-rounder Phaeobacter 52 inhibens DSM 17395 M. Hensler. TU Braunschweig/D; K. Wiegmann, H. Zech, S. KoBmehl, R. Rabus, Universitat, Oldenburg/D; D. Schomburg, TU Braunschweig/D P 20 Metabolite profiling of hepatic tissue from mice with sub- 53 optimal selenium supply K.E. Geillinaer. TU MGnchen, Freising/D; D. Rathmann, Charitg, Berlin/D; A. Kipp, Deutsches Institut fur ErnShrung, Nuthetal/D; H. Daniel, TU Munchen, Freising/D P 21 Predictive performance of a rat-based in vivo metabolom- 54 ics data base (MetaMap*Tox) as compared to classical toxicological assessments G.A. Montova-Parra. E. Fabian, BASF SE, Ludwigshafen/D; M. Herald, metanomics GmbH, Berlin/D; G. Krennrich, BASF SE, Ludwigshafen/D; R. Looser, metanomics GmbH, Ber­ lin/D; W. Mellert, BASF SE, Ludwigshafen/D; N. Moeller, Metanomics-Health GmbH, Berlin/D; E. Peter, metanomics GmbH, Berlin/D; V. Strauss, BASF SE, Ludwigshafen/D; T. Walk, metanomics GmbH, Berlin/D; H. Kamp, B. van Ravenzwaay, BASF SE, Ludwigshafen/D P 22 A novel sampling method to perform metabolomics stu- 55 dies for bio-processing applications J. Nachtiaall. E. Fux, M. Herald, R. Looser, metanomics GmbH, Berlin/D P 23 Genomics-based exploration of the cryptic secondary 56 metabolome of human pathogenic burkholderia species J. Franke. K. Ishida, M. Ishida-lto, C. Hertweck, Leibniz Institute for Natural Product Research and Infection Biology, HKI, Jena/D P 24 Identification of Xanthomonas campestris genes with 57 influence on the LPS O-antigen chain length T. Steffens. F.-J. Vorholter, A. Puhler, K. Niehaus, Universitat Bielefeld/D P 25 The ALLocator web-platform: analysis of 13C stable 58 isotope labeling experiments N. Kessler, F. Walter. M. Persicke, S. Albaum, J. Kalinowski, Bielefeld University/D; A. Goesmann, University of GielJen/D; K.