Day 1 :
Max Planck Institute for Chemical Ecology, Germany
Time : 09:30-09:55
Bernd Schneider is head of the Biosynthesis/NMR research group of the Max Planck Institute for chemical Ecology, Jena, Germany, since 1997. Between 1982 and 1996 he was a researcher at the Institute of Plant Biochemistry Halle, Germany. In 1991 he was awarded with an Alexander von Humboldt fellowship to work at Munich University. He has published approximately 235 papers and review articles. He holds a doctoral degree in chemistry from the University of Halle and did his habilitation at the Universities of Halle and Jena.
Chemical ecology investigates the role of natural products in the interaction between plants, animals and their environment, as well as the evolutionary and behavioural consequences of such interactions. As a genetic and molecular science, chemical ecology tries to understand the function of genes of interacting organisms and their co-evolution in complex cross-linked ecosystems. As a biochemical discipline, chemical ecology investigates defensive traits, their enzymatic formation and the involved regulation mechanisms. Since many ecological interactions are mediated by natural compounds, detailed knowledge about relevant chemical structures and their physical and biological properties are required. Therefore, analytical natural product chemistry is one of the main pillars of chemical ecology. Analytical tools, especially NMR spectroscopy, the most informative method in natural products chemistry, and mass spectrometry, are essential for elucidating chemical structures and stereo configuration, bio-genetic and metabolic pathways, metabolic fluxes, tissue-specific localization, the composition in the tissue and other aspects relevant to chemical ecology. Quantitative measures are of special interest in this context and important to understanding the ecological function of metabolites in inter- and intra-species interaction in nature. The presentation aims to draw attention to recent developments in metabolomics and other analytical platforms and how they can contribute to extend our understanding of the role of natural compounds in the complexity of interactions that occur in nature.
Chris Beecher, IROA Technologies, USA
Time : 09:55-10:20
Chris Beecher was a member of the Department of Pathology, University of Michigan School of Medicine until 2011 when he founded NextGen Metabolomics. He was also one of the founders of Metabolon, and Metabolic Analyses. His Ph.D. was granted in 1985 in Pharmaceutical Sciences specializing in Natural Products drug discovery. He has more than 25 years of experience in metabolomics and drug discovery and development, has published over 80 peer-reviewed papers, and is listed as the inventor of 8 patents in metabolomics.
Any toxic event ultimately represents a disruption of homeostasis, which may be viewed either at the level of the epigenome, the transcriptome, or the metabolome. In almost all cases the metabolome is the earliest responder. The route by which homeostasis is disrupted will depend initially on the mechanism of action of the toxin and converge into one or more irrecoverable (fatal) disruptions. Between the initial and fatal disruptions are a number of possible states. In this study we examine the metabolomic response of yeast to three well characterized toxins, Ketoconazole, Terbinafine, and 5-flourocytosine, as an initial attempt to see if the IROA protocol provides a reasonable approach to differentiating the response of these classes of compounds.
Stephen E. Reichenbach, University of Nebraska, USA
Keynote: Metabolomic analyses using comprehensive two-dimensional gas chromatography with mass spectrometry (GCxGC-MS)
Time : 10:45-11:10
Stephen E Reichenbach is a Professor in the Computer Science and Engineering Department at the University of Nebraska- Lincoln. He earned his PhD from the College of William and Mary and has held post-doctoral positions from the National Science Foundation, NASA, and the University of Manchester, Institute of Biotechnology. His research focuses on methods and tools for visualizing, processing, and analyzing multidimensional chemical data, especially from comprehensive multidimensional chromatography. He is the founding director of GC Image, LLC, a commercial spinoff of his research, which is a global leader in software for multidimensional chromatography.
Comprehensive two-dimensional chromatography, using either gas phase (GCxGC) or liquid phase (LCxLC) separation, is a powerful tool for complex chemical analyses such as are required for metabolomics. This paper presents results of preliminary GCxGC method development and data analysis for metabolomic investigations with Arabidopsis thaliana. The experiments analyzed three examples each of two types of Arabidopsis, Columbia (Col-0) ecotype and MutS HOMOLOG1 (MSH-1) T-DNA mutant. For each sample, three chromatographic replicates were performed using a Shimadzu GCMS-QP2010 Ultra gas chromatograph and single quadrupole mass spectrometer with Zoex ZX2 cooled-loop GCxGC thermal modulator, resulting in eighteen GCxGC-MS chromatograms. The chromatograms were visualized, processed, and analyzed with the GC image GCxGC software. The data processing generated a template pattern of peaks that could be reliably matched across chromatograms and those peaks were used to align and composite all eighteen chromatograms, and then built a feature template comprised of the reliable peaks and the 2D polygonal peak-region windows for all peaks detected in the composite chromatogram. The feature template was aligned to each chromatogram and the peak-region features used to generate a feature vector with mass spectrum for each region in each chromatogram. The feature vectors were analyzed using Fisher Linear Discriminant Analysis (LDA) to select highly discriminatory peak-regions with respect to class differences between the Col-0 and MSH-1 samples. The spectra of these regions were matched to several mass spectral libraries for preliminary identifications. Further analyses are being conducted with high-resolution mass spectrometry to indicate elemental compositions.
Eli Lilly & Company, USA
Time : 10:20-10:45
Vladimir Tolstikov, Ph.D., is Scientist at Eli Lilly and Company. He received B.S. and M.S in Organic Chemistry in 1977 from M.V. Lomonosov Institute of Fine Chemical Technology, in Moscow, Russia. He received Ph.D. in Organic Chemistry in 1983 from the Institute of Chemical Means for Plant Protection, Moscow, Russia. He is a pioneer in HILIC separations development applied to Metabolomics. During his career he was working in leading research institutions in USA, Germany, Hungary and Russian Federation. He has joined Eli Lilly and Company in 2012. He is author, contributor and participant of 45 conferences, 5 book chapters, and 54 articles.
Metabolomics-2014 is dedicated to bringing together experts in Metabolomics to discuss achievements in Analytical Techniques, Metabolomics Data Analysis, Bioinformatics, Biomarkers, Systems Biology, Metabolomics Applications in Drug Developments and Disease study, and others. Recent advances in Mass Spectrometry, NMR, and other analytical techniques allow gaining large volume of valuable information which can be applied to numerous fields of bio-medical research. Visible progress was achieved in Cancer Metabolism, Endocrine, Cardiovascular and Neurochemical Disorders, Metabolic Syndrome, and others. Systems Biology approach is gaining confidence in understanding the role of the complex networks of biological entities in regulation of biochemical processes. Starting from routine phenotyping Metabolomics evolved as a tool for interrogation of biological systems either on the cellular level or at the level of the whole organism; starting from exploratory laboratory level study and expanding into intercontinental levels of longitudinal studies. Well known Metabolomic applications are progressing benefiting from new analytical technique and advanced computing. New applications are emerging,for instance:chemoprevention research, identifying bioactive phytochemicals in plant extracts, monitoringphytochemical exposure in humans, elucidating biotransformation pathways of phytochemicals, andcharacterizing the effects of phytochemicals on endogenous metabolism. Toxicometabolomics is currently focusing on newassays which identify signatures of toxicity. These fields of study mentioned above and other new developments and initiatives become available due to reliable advanced analytical technique and methodologies providing strong basis for metabolomics bioinformatics, pathway identiﬁcation and qualityassurance.