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A New Tool to Reduce Analytical Complexity of Metabolomic Datasets

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A New Tool to Reduce Analytical Complexity of Metabolomic Datasets Analytic correlation filtration: A new tool to reduce analytical complexity of metabolomic datasets Stéphanie Monnerie, Mélanie Pétéra, Bernard Lyan, Pierrette Gaudreau, Blandine Comte, Estelle Pujos-Guillot To cite this version: Stéphanie Monnerie, Mélanie Pétéra, Bernard Lyan, Pierrette Gaudreau, Blandine Comte, et al.. An- alytic correlation filtration: A new tool to reduce analytical complexity of metabolomic datasets. 15th Annual Conference of the Metabolomics Society (Metabolomics 2019), Sep 2019, La Haye, Nether- lands. 300 p., 2019. hal-02291478 HAL Id: hal-02291478 https://hal.archives-ouvertes.fr/hal-02291478 Submitted on 2 Jun 2020 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Distributed under a Creative Commons Attribution| 4.0 International License ORAL AND POSTER ABSTRACTS Biomedical Technology AGENDA AT A GLANCE Plant, Food, Environmental and Microbial New Frontiers SUNDAY, JUNE 23 Atlantic Alexia Ariane Oceania Foyer 11:00 a.m. REGISTRATION OPEN 12:30 p.m. – 2:15 p.m. W1: EMN – Data Fusion W2: Mining the Metabolome W3: Multi-Omics Integration Intro to the Field 1: & Systems Metabolomics Data Acquisition 2:30 p.m. – 4:15 p.m. W4: Application of Graphical W5: Plant Metabolomes: Natural W6: How to Link Metabolome Intro to the Field 1: Models to Metabolomics & Generated Variability & Genome Mining Data Acquisition 4:30 p.m. – 6:15 p.m. W7: EMN – Professional Career W8: Putting Metabolomic W9: An Open-Source Pipeline for Intro to the Field 1: Development Data into Context Appraisal of NMR Datasets Data Acquisition 6:30 p.m. – 8:30 p.m. Career Night – Pacific MONDAY, JUNE 24 Atlantic Alexia Ariane Oceania Foyer 7:30 a.m. REGISTRATION / INFO DESK OPEN 8:30 a.m. – 10:15 a.m. W10: The Importance of Quality W11: Towards FAIR W12: EMN – Stable Isotope- Intro to the Field 2: Data (pre) Assurance & Quality Control Spectral Libraries Resolved Metabolomics Processing and Biostatistics 10:30 a.m. – 12:15 p.m. W13: Beyond pathway mapping W14: Standardizing the W15: Tools to Study the Intro to the Field 2: Data (pre) Fluxomics Workflows Microbiome-Metabolome Interplay Processing and Biostatistics 12:15 p.m. – 1:30 p.m. LUNCH BREAK – ON YOUR OWN 1:30 p.m. – 3:15 p.m. W16: Application Metabolomics W17: Dynamic Modeling W18: EMN – Volatomics Intro to the Field 2: Data (pre) in Industry of Human Metabolism in Human Health Processing and Biostatistics 3:30 p.m. – 5:00 p.m. Opening Ceremony | Plenary Session 1 – Joshua Rabinowitz – King Willem-Alexander Hall 5:15 p.m. – 6:45 p.m. Welcome Reception – Poster Session 1 – Odd Numbers – Exhibit Foyer 7:00 p.m. – 8:00 p.m. Metabolomics Society Town Hall Meeting – Atlantic TUESDAY, JUNE 25 Atlantic King Willem-Alexander Alexia Ariane 7:45 a.m. REGISTRATION / INFO DESK OPEN 8:30 a.m. – 9:30 a.m. Plenary Session 2 – Dorret Boomsma – King Willem-Alexander Hall 9:30 a.m. – 10:15 a.m. BREAK – EXHIBIT FOYER 10:15 a.m. – 12:00 p.m. 1. Cancer 2. Plant Applications 1 3. Data Integration & Data Basing 1 4. Novel Technologies 12:00 p.m. – 1:30 p.m. LUNCH – IN FOYER WITH EXHIBITS – PLATINUM SPONSOR PRESENTATIONS 12:20 p.m. – 1:20 p.m. Sponsor Pres: SCIEX Sponsor Pres: Waters Corporation 1:30 p.m. – 3:15 p.m. 5. Metabolic Disease 6. Food Applications 1 7. Flux Studies 8. Novel Instruments, Tools and Services 3:15 p.m. – 3:45 p.m. BREAK – EXHIBIT FOYER 3:45 p.m. – 5:30 p.m. 9. Epidemiology 10. Microbial Applications 11. Metabolite Identification 1 12. Stem Cells, Organoids 5:30 p.m. – 7:00 p.m. Poster Session 2 – Odd Numbers – Exhibit Foyer 7:00 p.m. – 8:30 p.m. EMN Reception – Pacific WEDNESDAY, JUNE 26 Atlantic King Willem-Alexander Alexia Ariane 8:00 a.m. REGISTRATION / INFO DESK OPEN 8:30 a.m. – 9:30 a.m. Plenary Session 3 – Cathie Martin – King Willem-Alexander Hall 9:30 a.m. – 10:15 a.m. BREAK – EXHIBIT FOYER 10:15 a.m. – 12:00 p.m. 13. Lipidomics and 14. Plant Defense 15. Data Analysis & Statistics 16. Single Cell Cardiovascular Disease 12:00 p.m. – 1:30 p.m. LUNCH – IN FOYER WITH EXHIBITS – PLATINUM SPONSOR PRESENTATIONS 12:20 p.m. – 1:20 p.m. Sponsor Pres: Sponsor Pres: Thermo Fisher Scientific Shimadzu Europa GmbH 1:30 p.m. – 3:15 p.m. 17. Ageing and Disease 18. Food Applications 2 19. Data Integration & Data Basing 2 20. Regulatory Session 3:15 p.m. – 3:45 p.m. BREAK – EXHIBIT FOYER 3:45 p.m. – 5:30 p.m. 21. Infection and Immunity 22. Environment & Toxicology 23. New Instrumentation 24. Novel Applications 5:30 p.m. – 7:00 p.m. Poster Session 3 – Even Numbers – Exhibit Foyer 7:30 p.m. – 10:30 p.m. Conference Dinner – Xiringuito THURSDAY, JUNE 27 Atlantic King Willem-Alexander Alexia Ariane 8:30 a.m. REGISTRATION / INFO DESK OPEN 8:45 a.m. – 10:00 a.m. 25. Respiratory Diseases 26. Model Organisms 27. Genome-scale Modeling 10:00 a.m. – 10:45 a.m. Poster Session 4 – Even Numbers – Exhibit Foyer 10:45 a.m. – 12:00 p.m. 28. Microbiome 29. Plant Applications 2 30. Metabolite Identification 2 12:00 p.m. – 1:30 p.m. LUNCH – IN FOYER WITH EXHIBITS – PLATINUM SPONSOR PRESENTATIONS 12:20 p.m. – 1:20 p.m Sponsor Pres: Sponsor Pres: Bruker Daltonics/Bruker Biospin Agilent Technologies 1:30 p.m. – 3:30 p.m Plenary Session 4 – Jean-Charles Portais – Closing Ceremony – King Willem-Alexander Hall CONTENTS AGENDAPage 2 PLENARY ABSTRACTSPage 4 ORAL ABSTRACTS Page 11 POSTER ABSTRACTS Page 68 BIOMEDICAL Page 69 NEW FRONTIERS ������������������������������������������������������������������������������������������������������������Page 157 PLANT, FOOD, ENVIRONMENTAL AND MICROBIAL Page 171 TECHNOLOGY Page 224 AUTHOR INDEX ��������������������������������������������������������������������������������������������������������������� Page 274 SPONSORS Agilent Technologies Page 17 Bruker Daltonics/Bruker BioSpin Page 23 Sciex Page 29 Shimadzu Page 35 Waters Corporation Page 42 Thermo Fisher Scientific ������������������������������������������������������������������������������������������������������Page 47 Cambridge Isotope Laboratories, Inc Page 113 Human Metabolome Technologies Page 113 Metabolites Page 120 Metabolon Page 120 Biocrates Life Sciences AG �����������������������������������������������������������������������������������������������Page 130 15th Annual Conference of the Metabolomics Society Page 3 Plenary Abstracts PLENARY SESSION 1 The marriage of technology development and biological discovery Monday, June 24, 4:00 p.m. – 5:00 p.m. PRESENTING AUTHOR: Joshua Rabinowitz, Lewis-Sigler Institute, United States Today, 20 years after sequencing of the first human chromosome, we now have powerful tools for measuring all of the fundamental classes of biomolecules, including metabolites While the data gathering capacity of these tools is inspiring, the complexity of biology remains humbling The failure of these tools to substantially eliminate major diseases, including metabolic disease, is self-evident In this lecture, I will describe our past and ongoing efforts to bridge metabolomic technology development and biological discovery I will provide examples of how intensive biological focus improved our metabolomic pipelines, and of how isotope tracing illuminated otherwise obscure aspects of metabolism Examples will be drawn from microbiology, cell biology, and cancer A major focus will be on our recent efforts to revisit quantitatively mammalian metabolism, with an eye towards better understanding of both basic metabolic principles and the intersection of diet, metabolism, and disease PLENARY SESSION 2 Twin and SNP-based studies of metabolomics traits Tuesday, June 25, 8:30 a.m. – 9:30 a.m. PRESENTING AUTHOR: Dorret I Boomsma, Netherlands Twin Register, Vrije Universiteit, Netherlands Metabolite profiling allows for an increased understanding of behavioral and psychiatric phenotypes We hypothesized that promising metabolites in this respect include those for which a genetic component is present estimated heritability (h2: standardized estimate of genetic variance) based on the different genetic relatedness of mono- and dizygotic twin pairs Metabolomics data from 4 different platforms for up to 5,117 individuals, including some family members of twins We estimated that ~50% of variation is due to genetic variation, but heritability estimates differed across metabolite classes and lipid species Heritability also can be estimated from genotype data (SNPs: Single Nucleotide Polymorphisms) by quantifying the genetic similarity of ‘unrelated’ individuals and comparing it to their trait similarity (h2SNP) To elucidate the genomic architecture of blood metabolites, we simultaneously estimated total heritability (h2total), SNP heritability (h2SNP) and the proportion of heritability captured by known metabolite loci (h2GW-loci) We reviewed all association studies of SNPs and blood metabolites, retrieving 241,965 associations for which all associated metabolites were classified For the estimation of h2GW-loci we aggregated > 800 class-specific metabolite loci for 309 lipids and 52 organic acids This revealed significant differences in h2SNP and h2GW-loci among different classes of lipids and organic acids Phosphatidylcholines
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