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Title

Speaker Host / Speaker Institution

MANA Summer Symposium 2019 :
Quantum Chemistry and Computional Methods for Compound Identification

  WCMC/ UC Davis
Quantum chemistry prediction of NMR and EI mass spectra  Stefan Grimme  WCMC/ Univeristy of Bonn
Cheminformatics tools for enabling metabolomics Yannick Djoumbou Feunang WCMC/Corteva Agriscience
ISiCLE ion mobility prediction, deep learning, quantum chemistry/ DFT Ryan Renslow  WCMC/ PNNL
Spectral -library based methods for identifying compounds not in the library Stephen Stein WCMC/ NIST
neural networks for predicting El mass spectra  Jennifer Wei  WCMC/ Google
Develoment of Integrated Computational and Empirical Tools to address the Metobolomics Grand Challenges of confident Metabolite Identification and increased Depth-of -Coverage LLoyd Sumner  WCMC /U Missouri
Spectral deconvolution for constructing pure mass spectra for compound identification  Xiuxia Du  WCMC/U North Carolina
Mass Spectrometry Annotation and Analysis at the Repository Scale  Pieter Dorrestein  WCMC/ UC San Diego
MetDNA: Metabolic Reaction Network-based Recursive Metabolite Annotation for untargeted Metabolomics Zheng-Jiang Zhu WCMC/ Chinese Academy of Science
Predicting retention times, Ecom50, CCS, IR and MSMS spectra David Grant  WCMC / U Conneticut
Confidence in compound ID: software, databases and tools   Ivana Blazenovic WCMC/ DiscernDX

Health: kidney diseases

   
Lipidomic Signature of Chronic Kidney Disease Farasad Afshinnia MRC2
Translational Research in Diabetic Kidney Disease,  Sub Pennathur MRC2
Urine Metabolomics Profile in Early CKD Snezana Petrovic MetSoc / Wake Forest
Metabolomics profiling of renal development and acute kidney Injury in premature infants Patrick Brophy MetSoc / U Iowa
     

Health:   lung diseases

   
Proteo-metabolomics dissection of small cell lung cancer Jiannong Li MetSoc/ Moffitt
Metabolomics of neonatal pulmonary hypertension Stephen Wedgwood MetSoc/ UC Davis
Metabolic changes in human fibroblasts isolated from Idiopathic pulmonary fibrosis patients Biao Hu MetSoc / U Michigan
Profiling of downstream metabolites of L-arginine in severe asthmatics  Nicholas Kenyon MetSoc / UC Davis
     

Health:   obesity, muscle and cardiovascular diseases

   
Pharmacometabolomics Identifies Acylcarnitines Associated With Beta Blocker Induced Fasting Glucose Alterations Rhonda Cooper-DeHoff MetSoc / U Florida
Metabolite Changes Associated with Obesity and Weight Loss Olivia Osborn MetSoc / UC San Diego
Impact of Muscle Insulin and IGF-1 Signaling on Serum and Muscle Metabolite Profiles Brian O'Neill MetSoc / Joslin Diabetes Ctr
Metabolomics of Blood Pressure Regulation Cristina Menni NIH / King's College London
Metabolomic Analysis of Duchenne Muscular Dystrophy Brittany Lee-McMullen MetSocc / U Florida
     

Health: neuronal diseases

   
Metabolic alterations in patients with Alzheimer's disease Eugenia Trushina MetSoc / Mayo Clinics
The Soluble Epoxide Hydrolase "Omics-Trio" Revealed Potential Treatment Targets for Anorexia Nervosa Pei-an Betty Shih MetSoc / UC San Diego
Untargeted metabolomics to reveal genotype-phenotype correlation in X-linked adrenoleukodystrophy Jaspreet Singh MetSoc/ Detroit
Metabolomic Analysis Reveals PUFA Metabolism in Bipolar Disorder Simon Evans MRC2
Metabolism in Bipolar Disorder Simon Evans MRC2
     

Health: food and gut microbiota

   
Metabolomics for food composition and food biomarker analysis David Wishart ILSI NA / U Edmonton
Nutritional Metabolomics to Identify Biomarkers of Dietary Patterns and Specific Diet Exposures Mary Playdon NIH / NCI
Systemic metabolic impact of early-life microbiota disruption Laura Cox MetSoc / Harvard
Resistance Against Clostridium difficile in the Large Intestine Casey Theroit MRC2
     

Health: other areas

   
PUFA Case Study on Targeted Metabolomics Charles Burant MRC2
Using Metabolomics to Assess Drug Response Phenotypes Oliver Fiehn U Minnesota / UC Davis
Genetics meets metabolomics: From association to translation Karsten Suhre NIH / Qatar
Glycolysis, cancer and metabolomics James Watson Web of Stories 
Metabolomic Profiling of Early Events in Retinal Degeneration Ellen Weiss MetSoc / UNC Chapel Hill
     

Grand challenges in metabolomics

   
Large-scale, confident metabolite identification  Lloyd W. Sumner PAMM-net
Metabolomics databases and computational infrastructures  Oliver Fiehn,
Pieter Dorrestein
PAMM-net
Temporal and spatial accumulation of metabolites  John McLean ,
Pieter Dorrestein
PAMM-net
Standardization of metabolomics workflows Lloyd W. Sumner PAMM-net
Sensitivity, dynamic range, depth-of-coverage  Liang Li PAMM-net
Cost, throughput and data comparability  Philip Britz-McKibbin PAMM-net
Large-scale quantification and flux A. Daniel Jones PAMM-net