PARALLEL SESSIONS AND POSTERS

Download the full MANA Program

Monday

MANA 2024 Monday Afternoon Interactive Workshops (4:30-6 PM)

Spatial Isotopic Tracing in Mammalian Tissues
Organizer(s): Matthew Merritt; Ramon Sun
Location: Ferman Conference Room

Unveiling the mQACC Living Guidance for QA/QC Best Practices in LC-MS-Based Untargeted Metabolomics
Organizer(s): Jonathan Mosley; Dajana Vuckovic
Location: Couch Auditorium

Hands-on Workshop on using benchmarking dataset to evaluate software tools for preprocessing mass spectrometry-based metabolomics data
Organizer(s): Xiuxia Du; Gary Patti
Location: Murphey Conference Room

Engaging with MANA and Increasing the Impact of Metabolomics through MANA Interest Groups
Organizer(s): Ewy Mathé; Arpana Vaniya
Location: Trustees Boardroom

---

---

10:00 Applications of NMR metabolomics to wildlife management: monitoring of the nutritional states of wild bighorn sheep using 1H NMR spectroscopy.
Copie, Valerie; O’Shea-Stone, Galen; Tripet, Brian, Garrott, Robert, and Thomson, Jennifer.
Montana State University-Bozeman.

10:20 High Throughput Plasma Profiling of Human Liver Disease Samples using Rapid Chromatography and a Multi-Reflecting Time-of-Flight Mass spectrometer.
Martin, LeRoy; King, Adam M; Sanchez-Lorenzo, Ana, Marsden-Edwards, Emma, Want, Elizabeth.
Waters Corp, Marblehead, MA; Waters Corp, Wilmslow, Cheshire, UK; Department of Metabolism, Digestion and Reproduction, Imperial College, London, UK; Waters Wilmslow; Imperial College.

10:40 Evaluation of Biomarkers of Reproductive Success in Atlantic Salmon Biofluids using NMR-based Metabolomics and Machine Learning.
Casu, Fabio; Schock, Tracey; Bayless, Amanda; Mahynski, Nathan; Boggs, Ashley.
National institute of Standards and Technology (NIST), Chemical Sciences Division.

11:00 Plasma Metabolome as a Biomarker for Immunotherapy in Recurrent or Metastatic Head and Neck Cancer.
Eldridge, Ronald C.; Anderson, Allyson; Magliocca, Kelly; Shi, Qiuying; Patel, Mihir R.; Bates, James E.; Schmitt, Nicole C.; Steuer, Conor E.; Shin, Dong M.; Liu, Yuan; Teng, Yong; Chung, Christine H.; Saba, Nabil F.
Emory University and Moffitt Cancer Center.

11:20 The Human Metabolome Atlas unveils metabolic heterogeneity across cell types and stratifies cancer subtypes. J. Rafael Montenegro Burke, Jeremy K. Chan, William D. Gwynne, Nicholas Ly, Olivia Taverniti, Brandon Y. Lieng, Mathula Muhundan, Alexandra Denhart, Andrew T. Quaile.
Donnelly Centre for Cellular and Biomolecular Research, University of Toronto, Toronto, ON.

11:40 Metabolic Changes in Response to Hormonal Therapy in Advanced Prostate Cancer.
Mohammad Alyamani, Nima Sharifi.
University of Miami.

---

10:00 Deciphering Spatial Variation in Lipid Profiles of X-Ray Irradiated Cells using nLC and Orbitrap 240 MS.
Susan S Bird-1; Rahul Ravi Deshpande-1; Kyle D.G. Saunders-2; Johanna Gerichten-2; Bashar Amer-1; Melanie Bailey-2.
1-Thermo Fisher Scientific, San Jose, CA; 2-Department of Chemistry, University of Surrey, Guildford, United Kingdom.

10:20 Measurement of cholesterol and bile acids synthesis with deuterated water and mass spectrometry.
Xiaorong Fu, Adrianna Maurer, Stanislaw Deja, Justin A. Fletcher, Sean Slater, Jeffrey G. McDonald, Jay D. Horton, John P. Thyfault, Matthew A. Mitsche and Shawn C. Burgess
Center for Human Nutrition, The University of Texas Southwestern Medical Center, Dallas, TX 75390

10:40 Ozonolysis kinetics for the study of cis/trans isomerism.
Troy R Scoggins IV, Boone M. Prentice.
Department of Chemistry, University of Florida, Gainesville, FL, 32603; USA.

11:00 Artificial Intelligent Agents for Automating Deep Lipidomics Workflows to Investigate Alzheimer’s Disease and Aging-Related Lipid Droplets.
Randolph C 1 , Muhoberac M 1 , Beveridge C 1 , Manchanda P 1 , Iyer S 1 , Poad B 3 , Blanksby S 3 , Tichy S 4, Chopra G 1,2
1 Department of Chemistry, Purdue University, West Lafayette Indiana, United States of America
2 Department of Computer Science, Purdue University, West Lafayette Indiana, United States of America
3 Queensland University of Technology, Brisbane Queensland, Australia
4 Agilent Technologies, Santa Clara California, United States of America

11:20 Bridging Gaps in Honey Bee Pheromone Analysis Using State-of-the-Art Lipidomics Analysis.
Alcazar, Armando; McAfee, Alison; Hoover, Shelley E.; Foster, Leonard J.
1. Michael Smith Laboratories, Department of Biochemistry and Molecular Biology, University of British Columbia, Vancouver, BC, Canada 2. Life Sciences Institute, Department of Biochemistry and Molecular Biology, University of British Columbia, Vancouver, BC, Canada 3. Department of Applied Ecology, North Carolina State University, North Carolina, NC, USA 4. Department of Biological Sciences, University of Lethbridge, Lethbridge, AB, Canada

11:40 ILS Americas and an Interactive Checklist for Lipidomic Researchers. Partnering with MANA to Improve the Quality of Lipidomic Measurements.
Jace W. Jones and Jeffrey G. McDonald.
University of Maryland School of Pharmacy and UT Southwestern Medical Center

---

---

Tuesday Posters

Poster #1: A role for Untargeted Metabolomics in cultured meat production through optimizing media composition and growth conditions Cohen Tom; Stancliffe, Ethan; Richardson, Adam; Mehta, Ashima; Gandhi, Monil; Guzior, Doug V; Cho, Kevin; Patti, Gary. Panome Bio, Washington University in Saint Louis

Poster #2: Biochemical phenotyping of null alleles in human induced pluripotent stem cell-derived cell lineages: integrating genetics with metabolomics Thapa, Maheshwor; Zheng, Shujian; Mitchell, Joshua; Diniz, Juliana; Oliveira, Nelio; Tagger, Arti; Chi, Yuanye; Siddiqa, Amnah; Gong, Minghao; McDonough, Justin; Skarnes, William; Robson, Paul; Li, Shuzhao. The Jackson Laboratory for Genomic Medicine, 10 Discovery Dr, Farmington, CT 06032

Poster #3: Genetic Mechanisms Controlling Development: Insights from Metabolomics Jaiyesimi, Olakunle; Extavour, Cassandra 1. Department of Organismic and Evolutionary Biology, Harvard University, 2. Department of Molecular and Cellular Biology, Harvard University 3. Howard Hughes Medical Institute, Chevy Chase, Maryland, United States of America

Poster #4: Multi-omics approaches for the identification of HCC biomarkers in patients with liver cirrhosis Rashid, Md Mamunur; Varghese, Rency; Ressom, Habtom. Georgetown University

Poster #5: RaMP-DB 3.0: A Relational Database for Multi-Omic Data Interpretation Mehta, Khyati Y.; Patt, Andrew; Sheils, Timothy; Tisch, Adam; Sayer, Jaden; Braisted, John; Kelleher, Keith J.; Mathé, Ewy A. National Center for Advancing Translational Sciences, National Institutes of Health, Rockville, MD

Poster #6: A quantitative assay for measuring 1200+ metabolites in biofluids Mandal, Rupasri; Zheng, Jiamin ; Zhang, Lun; Johnson, Mathew; Wishart, David S. University of Alberta

Poster #7: Activity guided fractionation to identify the quorum molecule in Neurospora crassa
Molina, Alexis; Esselman, Christopher; Edison, Art. University of Georgia

Poster #8: Application of NMR-based metabolomics to identify potential cerebrospinal biomarkers of disease progression in patients with multiple sclerosis. Nadia Ashrafi, Ahmet Tarik Baykal, PhD; Boran Aksakal, Ceyda Buyuker, Eda Tahir Turanli, PhD, Stewart F. Graham, PhD and Ali Yilmaz, PhD.

Poster #9: Combination of Low Glucose and SCD1 Inhibition Impairs Cancer Metabolic Plasticity and Growth: A Comprehensive Metabolomic and Lipidomic Analysis. Zhu Wentao; Raftery Daniel. University of Washington

Poster #10: Dual MSTUS sample-to-sample Normalization as a Batch-to-Batch normalization correction. Beecher C.(2), Ghosh D.(1), de Jong F.(2), Shulaev V.(1) 1Department of Biological Sciences, College of Science, University of North Texas, Denton, Texas; 2 IROA Technologies LLC, Chapel Hill, North Carolina

Poster #11: ECIDbase.org : Exposome Correlation and Interpretation Database (ECID) Dinesh Barupal. Icahn School of Medicine at Mount Sinai

Poster #12: Effects of light intensity on Phaeodactylum tricornutum primary carbon metabolism and TAG synthesis Zheng, Amy; Wang, Bo; Ruiz-Marquez, Kevin; Cheah, Yi Ern; Paton, Andrew; Kassaw,Tessema; Peers, Graham;Young, Jamey. Vanderbilt University (1-4,8), Colorado State University(5-7)

Poster #13: EnrichMet: an R package for quick and easy pathway enrichment Dhake, Neha : Stewart, Paul* 1 Department of Bioinformatics & Computational Biology, Morsani College of Medicine, University of South Florida, Tampa, FL 2 Department of Biostatistics and Bioinformatics, Moffitt Cancer Center, Tampa, FL

Poster #14: Estimating the Biological Potency of 2,3-Benzofluorene via Untargeted Metabolomics Analysis of Plasma from a Short-Term in vivo Study Crizer, David; Rice, Julie; Auerbach, Scott Division of Translational Toxicology/National Institute of Environmental Health Sciences

Poster #15: Exploring Acyl Carnitines in the Human Metabolome Using Reverse Metabolomics Emily C. Gentry, Sara Pacini, Lindsay E. Sandusky Virginia Tech, Department of Chemistry, Blacksburg, VA, USA

Poster #16: High throughput metabolite quantification in biological samples with Pyxis, a matrix-agnostic AI/ML tool. Ana S. H. Costa, Craig Knisley, Devesh Shah, Timothy Kassis, Mimoun Cadosch Delmar, Jennifer M. Campbell, Jack Geremia. Matterworks, Inc, Somerville, MA

Poster #17: Identifying Feature Recurrence via All-by-All Alignments. Hitchcock, Daniel; Krejci, Jesse; Jeanfavre, Sarah; Avila-Pacheco, Julian; Clish, Clary. Metabolomics Platform, The Broad Institute

Poster #18: Investigating Metabolic Phenotypes For the Diagnosis of Sarcoidosis and Explore Immunometabolic Phenotypes and Unraveling Disease Mechanisms. Mohammad Mehdi Banoei, Abdulrazagh Hashemi Shahraki, Kayo Santos, Gerg Holt, Mehdi Mirsaeidi. University of Calgary

Poster #19: Large scale combinatorial synthesis to create a MS/MS reference library for the discovery of disease associated molecules. Patan, Abubaker 1,2; Charron-Lamoureux, Vincent 1,2; Deleray, Victoria 1,2; Vittali, Kyle 1,2; Lee,Carlynda 1,2; Leanos, Daniel1,2; Mohanty, Ipsita1,2; Mannochio-Russo, Helena 1,2; Xing, Shipei 1,2; El-Abiad, Yasin 1,2; Siegel, Dionicio 1; Dorrestein, Pieter C. 1,2* 1Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, United States. 2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, United States.

Poster #20: METABOLOMIC AND LIPIDOMIC ANALYSIS FROM FORMALIN-FIXED PARAFFIN-EMBEDDED GASTRIC BIOPSIES SAMPLES. Ramm, Maximiliano; Martinez, David, Delgado, Carolina; Muñoz, Esteban; Barrera, María Paz & Bustamante, Luis. 1 Departamento Análisis Instrumental, Facultad de Farmacia, Universidad de Concepción, Concepción, Región del Biobio, Chile. 2 Departamento de Especialidades, Facultad de Medicina, Universidad de Concepción, Concepción, Región del Biobio, Chile.

Poster #21: Metabolomic Changes in Biofilm of Pseudomonas Aeruginosa Under Tobramycin Treatment Identified by COLMARq. Munki Choo,1 Da-Wei Li,2 Devin Sindeldecker,3 Paul Stoodley,3 Lei Bruschweiler-Li,2 and Rafael Brüschweiler1,2,4* 1Department of Chemistry and Biochemistry, 2Campus Chemical Instrument Center, 3Department of Microbial Infection and Immunity, 4Department of Biological Chemistry and Pharmacology, The Ohio State University, Columbus, Ohio 43210, U.S.A.

Poster #22: NIST SRM 1950 Beyond the Certificate of Analysis: mQACC Results of Community-Driven Qualitative and Quantitative Data. Bayless, Amanda*; Davis, W. Clay*; Aristizabal-Henao, Juan; Artati, Anna; Barsch, Aiko; Beecher, Chris; Beger, Richard; Bowden, John; Broeckling, Corey; Cho, Joo-Youn; Dunn, Rick; Flores, Roberto; Fradin, Manon; Franchina, Flavio A.; Gouveia, Goncalo J.; Harms, Amy; Hartung, Thomas; Haznadar, Majda; Henriques da Costa, Sofia Ana; Jones, Christina; Kang, Kyo Bin; Lewis, Matthew; Lippa, Katrice; Malinowska, Julia; Nair, Sindhu; Ngere, Judith; Ntai, Ioanna; Percy, Andrew; Plumb, Robert; Raftery, Dan; Rahman, Anas Abdel; Schock, Tracey*; Sun, Jinchun; Tayyari, Fariba; Theodoridis, Georgios; Torta, Federico; Ulmer Holland, Candice Z.; Velagapudi, Vidya; Wilson, Ian; Zhang, Bo; Cumeras, Raquel. *National Institute of Standards and Technology, Charleston, SC; and members of Metabolomics Quality Assurance and Quality Control Consortium in the Reference and Test Materials Working Group

Poster #23: Precision Targeting of Ferroptosis in Colorectal Cancer: Sex and KRAS Mutation-Driven Metabolic Vulnerabilities and Drug Repurposing. Shen, Xinyi; Yan, Hong; Yao, Yisha; Khan, Sajid; Ma, Shuangge; Johnson, Caroline. Yale School of Public Health

Poster #24: Progesterone Metabolism and Breast Cancer Risk using Simultaneous Quantitation and Discovery (SQUAD) Liquid Chromatography Mass Spectrometry. Kenney, Katherine; German, Rana; Moore, Samuel; Gaul, David A.; Kim, Jaeyeon; Fernandez, Facundo M. School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332 2) Petit Institute of Bioengineering and Bioscience, Georgia Institute of Technology, Atlanta, GA 30332 3) Department of Biochemistry and Molecular Biology, Indiana University School of Medicine, Indiana University, Melvin and Bren Simon Comprehensive Cancer Center, Indianapolis, IN 46202 4); The Komen Tissue Bank, Indiana University School of Medicine, Indiana University, Melvin and Bren Simon Comprehensive Cancer Center, Indianapolis, IN 46202

Poster #25: Quantification of underivatized acylcarnitines and carnitine intermediates using RP chromatography and ion funnel triple quadrupole. Silva, Bianca; Cuthbertson, Daniel. Agilent Technologies

Poster #26: Quantitative analysis and structural characterization of bile acids using the ZenoTOF 7600 system. Colquhoun David(1);Baker, Paul RS(1); Proos, Robert(1); Seferovic ,Maxim D(2); and Horvath, Thomas D(3,4) 1) SCIEX, USA; 2) Dept of Obstetrics and Gynecology, Baylor College of Medicine, Houston, TX; 3) Dept of Pathology, Texas Children’s Hospital, Houston, TX; 4) Dept of Pathology & Immunology, Baylor College of Medicine, Houston, TX

Poster #27: Reducing Complexity in Polar Feature Detection in Non-Targeted LC-MS Experiments from the Presence of Salt in Sample Preparation. David A. Gaul, Ying Liu, Samuel Moore 1School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332

Poster #28: Sample Preparation Optimization for Metabolomics Analysis of Cell Culture Media to reduce Maillard reaction products. Nguyen, Vyncent; Asik, Didar; Campbell, Andy; Goldfuss, Jaime; Tu, Chengjian. Thermo Fisher Scientific

Poster #29: Semi-automated extraction of cell and tissue samples for multi-omic analysis using the Biomek i7 workstation. Smith, Zachary; Jones, Martin; Viant, Mark. Beckman Coulter Life Sciences; Phenome Center Birmingham University of Birmingham

Poster #30: The depth of the annotatable metabolome is a function of the mass spectrometer and software versions. Barnes, Stephen (1); Berryhill, Taylor F (1); Wilson, Landon (1); Youngmee Kim (2). University of Alabama at Birmingham (1); University of Miami (2)

Poster #31: Untargeted analysis of lipid biomarker to inform carbon storage potential in soils. Mioko Tamura, Tyler McIntosh, Vidya Suseela, and Nishanth Tharayil. Clemson University, South Carolina, USA

Poster #32: Untargeted Metabolomics of Blood Plasma from Short-Term Repeat Dose in vivo Studies to Estimate Biological Potency of PFAS Compounds. Rice, Julie; Auerbach, Scott; Crizer, David. Division of Translational Toxicology/National Institute of Environmental Health Sciences

---

---

---

4:00 Development of metabolomics toolbox for identification and discovery of non-protein amino acids in plants.
Sandhu, Pawanjit K; Murch, Susan J
University of British Columbia Okanagan

4:20 Mass Spectrometry-Based Metabolomics to Elucidate Spider Mite-Host Interactions for the Development of RNAi-Based Biopesticides.
Sharma, Chetan; Abiskaroon, Brendan; HA, Ricardo; Singh, Vinayak; Zhurov, Vladimir; Maglov, Jorden; Harrison, Alexander; Antonacci, Michele; Chruszcz, Maksymilian; Grbic, Vojislava.
Western University, London, Ontario, Canada

4:40 Metabolomic Profiling of Coral Microhabitats: Understanding the Metabolic Response of Coral Tissue, Mucus, and Skeleton.
Garcia, Brianna M.; Kido Soule, Melissa C.; Brandt, Marilyn; Apprill, Amy; Kujawinski, Elizabeth B.
Woods Hole Oceanographic Institution, Woods Hole, MA 02543; Woods Hole Oceanographic Institution, Woods Hole, MA 02543; University of the Virgin Islands, St Thomas, Charlotte Amalie West, St Thomas 00802, U.S. Virgin Islands; Woods Hole Oceanographic Institution, Woods Hole, MA 02543; Woods Hole Oceanographic Institution, Woods Hole, MA 02543

5:00 Leveraging untargeted and targeted approaches to characterize molecular complexity and conservation of compounds released from the degradation of plant substrates.
Xia, Mengxue; Suseela, Vidya; Tharayil, Nishanth
Clemson University

5:20 Comprehensive profiling of Nepeta Cataria using multidimensional gas chromatography, and high-performance mass spectrometry.
David E. Alonso, Joseph Binkley, and John Hayes
LECO Corporation

5:40 Innovative application of Weighted Quantile Sum in Mediation Analysis of Metabolomics, PFAS Exposure, and SARS-CoV-2 IgG Levels in Pregnancy.
Haibin, Guan; Shelley, Liu; Georgia, Dolios; Jia, Chen; Lauren, Petrick
Department of Environmental Medicine and Public Health at the Icahn School of Medicine at Mount Sinai

---

4:00 Mega Metabolomics: A Big Data Challenge and Opportunity with 13,700 human plasma samples for the TEDDY cohort.
Keshet, Uri; Wohlgemuth, Gert; Li, Yuanyue; Fiehn, Oliver
West Coast Metabolomics Center, UC Davis

4:20 Leveraging Scale with Pan-Repository Scale Analysis: Tracing the Evolutionary Chemistry of Life through Mining of Public Metabolomics Data.
El Abiead, Yasin; Strobel, Michael; Hagey, Lee; Mohanty, Ipsita; Gentry, Emily; Mannochio-Russo, Helena; Gomes, Paulo Wender P; Zuffa, Simone; Wang, Mingxun; Dorrestein, Pieter C.
Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA; Department of Computer Science and Engineering; University of California Riverside, 900 University Ave, Riverside, CA, 92521, USA; Department of Chemistry, Virginia Tech, Blacksburg, VA, USA; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, USA

4:40 Dysregulation of immunometabolomics in ME/CFS patients is linked to xenobiotics and predictive of clinical symptoms.
Gong, Minghao; Gunter, Courtney; Karabacak, Fatih; Kozhaya, Lina; Xiong, Ruoyun; Oh, Julia; Vernon, Suzanne; Bateman, Lucinda; Unutmaz, Derya; Li, Shuzhao
1. The Jackson Laboratory for Genomic Medicine, 10 Discovery Drive, Farmington, CT 06032, USA 2. Bateman Horne Center, Salt Lake City, Utah, USA. 3. University of Connecticut School of Medicine, Farmington, CT 06032, USA.

5:00 Comprehensive multi-omic profiling of lung squamous cell carcinomas.
Paul Stewart1#, Isis Narvaez-Bandera1, Ashley Lui1, Vanessa Rubio1, Min Liu1, Eric Welsh1, Dalia Ercan1, Hayley Ackerman1, Guohui Li2, Lancia Darville1, Bin Fang1, Steven Eschrich1, John Koomen1, Brooke Fridley3, Eric Haura1, Gina DeNicola1, Elsa Flores1
1Moffitt Cancer Center, 2Thermo Fisher Scientific, 3Children’s Mercy Hospital, #Presenting Author

5:20 Analysis of Metabolic Consequences Associated with Variants in ALDH18A1 Uncovers Perturbations in Multiple Amino Acid and Antioxidant Pathways.
Colonna, Maxwell B.; Lyons, Michael J.; Flanagan-Steet, Heather; Steet, Richard
Greenwood Genetic Center

5:40 Multi-omics Analysis of Staphylococcal Enterotoxin B Exposure in a Soldier-on-a-Chip: An Advanced Micro Physiology System.
Raquel L. Shortt, Conor C. Jenkins, Gabrielle M. Rizzo, Allison E. Clay, Tyler D. Goralski, Elizabeth S. Dhummakupt.
DEVCOM CBC

---

Tuesday Evening Interactive Workshops (5:45-7 PM)

Career Development Q&A/Building and Leveraging your Personal Brand to Accomplish your Professional Goals
Organizer(s): John Koomen; Tim Garrett; Arpana Vaniya; Maryam Goudarzi; Stephanie Bishop; Prasanna Kumaar; Khayti Pathak; Nicole Prince; Goncalo Gouveia; Erica Forsberg
Location: Murphey Conference Room

AI in NMR Metabolomics
Organizer(s): Hamid Eghbalnia; Leo Cheng; Art Edison; Valerie Copie
Location: Ferman Conference Room

Round Robin Study Design for Inter-Lab Reproducibility Analyses in Metabolomics
Organizer(s): Haley Chatelaine; Chris Beecher
Location: Couch Auditorium

---

---

10:00 Convolutional Neural Network-Based Metabolite Annotation
Chau, Katharine; Zhang, Xinran; Varghese, Rency; Ressom, Habtom
Georgetown University

10:20 What do data on environmental exposures in the NHANES dataset tell us?
Annie Cen, Xiuxia Du
UNC Charlotte

10:40 Spectrum-guided de novo molecular generation from molecular scaffolds
Wang, Yinkai; Chen, Xiaohui; Liu, Liping; Hassoun, Soha
Tufts University

11:00 MassID: A Cloud-Based Untargeted Metabolomics Pipeline for Enhanced Biochemical Discovery.
Stancliffe, Ethan; Richardson, Adam; Gandhi, Monil; Mehta, Ashima; Guzior, Douglas V.; Cho, Kevin; Cohen, Tom; Patti, Gary
Panome Bio, Inc.; Washington University in St. Louis

11:20 Optimizing Neural Networks for Real-Time Quantification of Metabolites in Complex NMR Spectra
Tipirneni-Sajja, Aaryani; Johnson, Hayden
University of Houston

11:40 Mapping The Landscape of Metabolomics Research
Bifarin, Olatomiwa; Yelluru, Varun; Simhadri, Aditya; Fernández, Facundo
Georgia Institute of Technology, Atlanta, Georgia

---

10:00 Precision Targeting of Ferroptosis in Colorectal Cancer: Sex and KRAS Mutation-Driven Metabolic Vulnerabilities and Drug Repurposing
Shen, Xinyi; Yan, Hong; Yao, Yisha; Khan, Sajid; Ma, Shuangge; Johnson, Caroline
Yale School of Public Health

10:20 Multi-Omic Analysis Links Neighborhood Disadvantage to Elevated Stress Hormones and Dysregulated Immune Response in ER+ Breast Cancer Patients
Hannah Heath(1), Farizi Fazli(1), Oana C. Danciu(2), Garth Rauscher(3), Natalie Pulliam(4), Elona Liko-Hazizi(4), Sarah Friedewald(5), Seema Khan(5), Julie Kim(5), William Gradishar(5), Jonna Frasor(2), Kent F. Hoskins(2), Zeynep Madak-Erdogan(1,6)
1)Department of Food Science and Human Nutrition, University of Illinois, Urbana-Champaign, Urbana, IL USA, 2) Division of Hematology/Oncology, University of Illinois at Chicago, Chicago, IL USA, 3) School of Public Health, University of Illinois at Chicago, Chicago, IL, USA, 4) Northwestern Memorial Hospital, Chicago, IL, USA, 5) Northwestern University Feinberg School of Medicine, Chicago, IL, USA, 6) Cancer Center at Illinois, University of Illinois, Urbana-Champaign, Urbana, IL USA

10:40 Untargeted metabolomics reveals PFOA-induced immune modulation in a SARS-CoV-2 infection model
Lanier, Deanna; Uchimiya, Mario; Rowe, Dawne; Tompkin, Stephen; DeWitt, Jamie; Woodlief, Tracey; Edison, Arthur
University of Georgia Institute of Bioinformatics; Complex Carbohydrate Research Center

11:00 Serum Metabolomics for Capturing Dynamic Metabolic Responses to Burn Injuries and Risk Assessment for Sepsis in Critical Care
Ana Ruxandra Stanciu(1); Marc Jeschke(2); Diana Tedesco(2); Fadi Khalaf(2);Philip Britz-McKibbin(1)
1. Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario; 2. David Braley Research Institute, Hamilton Health Sciences, Hamilton, Ontario.

11:20 Medication Exposure Read-out in Untargeted Metabolomics Using a MS/MS Library of Drugs and Metabolites Propagated from Repository-scale Analog Search
Zhao, Haoqi; Kvitne, Kine E.; Mannochio-Russo, Helena; Lamichhane, Santosh; Lamoureux, Vincent; Dorrestein, Pieter C.
Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego

11:40 Comprehensive discovery lipidomic workflow which utilizes a novel, multi-reflecting ToF with integrated informatics, providing highly confident lipid characterization and quantification
Kass, Ignatius J 1;Munjoma, Nyasha C.2; Kirk Jayne 2; Gethings, Lee A 2; Tiberi, Paolo 3; Goracci, Laura 4; Lock, Richard 2
1. Waters Corporation, Milford, MA 2. Waters Corporation, Wilmslow, United Kingdom; 3. Mass Analytica Ltd, Sant Cugat del Vallés, Spain; 4. University of Perugia, Perugia, Italy

---

Wednesday Posters

Poster #1: A comprehensive untargeted fecal metabolomics workflow on the Orbitrap Astral MS to achieve deep metabolome coverage and confident compound annotation. Hermanson, Daniel1; Amer, Bashar1; El Abiead, Yasin2; Dorrestein, Pieter2; Bird, Susan S.1 1 Thermo Fisher Scientific, San Jose, California, USA; 2 University of California – San Diego, California, USA

Poster #2: Metabolomics as a complementary conduit to elucidate the mechanisms of priming-mediated stress memory in plants. Kaur Gagandeep; Kumar Rohit; Leonard Elizabeth; Tharayil Nishanth. Department of Plant and Environmental Sciences, Clemson University, Clemson, South Carolina 29634, United States

Poster #3: Optimization of sample preparation and LC-MS analysis for high throughput untargeted lipidomics and metabolomics. Bennouna, Djawed ; Chatelaine, Haley ; Mehta, Khyati; Tisch, Adam; Beecher, Chris; LeClair, Christopher; Mathé Ewy. All authors except Beecher Chris affiliation: National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland, USA. Beecher, Chris affiliation: IROA Technologies, Chapel Hill, NC, USA

Poster #4: Simultaneous quantitation and discovery (SQUAD) metabolomics workflow for the analysis of fecal bile acids. Stewart, Allison K.1; Amer, Bashar1; Midha, Ayush2; Jain, Isha2; Percy, Andrew J.3; Backiel, Krista3; Deshpande, Rahul R.1; Kline, Joshua P.1; Bills , Brandon1; Bird, Susan 1 1 Thermo Fisher Scientific, San Jose, California, USA; 2 Gladstone Institute, UCSF, California, USA; 3 Cambridge Isotope Laboratories, Inc., Tewksbury, MA

Poster #5: User-Friendly In-Silico Bioprocess Optimization Tool Integrating Flux Balance Analysis with Genetic Algorithms. Oğuzcan Ünver, Benjamin Gerber, Fırat Kahya, Boran Saruhan. Metastate Bio Inc

Poster #6: A Flexible Cloud Framework for Untargeted Metabolomics Streamlining High-Throughput Analysis. Gandhi, Monil; Stancliffe, Ethan; Richardson, Adam; Mehta, Ashima; Guzior, Douglas V.; Cho, Kevin; Cohen, Tom; Patti, Gary. Panome Bio, Inc.; Washington University in St. Louis

Poster #7: A High-throughput Mass Spectrometry Platform (Rapidfire-IM-QTOF) to Support Biomarker Discovery. Xiang Tian, Cristina Di Poto, Sonja Hess, Erik L. Allman. AstraZeneca

Poster #8: An Accelerated Workflow to Extract Biological Pathway Information from Untargeted Metabolomic Datasets. Montefusco, David1; Xie, Longsheng2,3; Saligrama, Siri1; Yue, Yang1; Liu,Jinze2. 1.Virginia Commonwealth University Department of Biochemistry. 2.Virginia Commonwealth University Department of Biostatistics. 3.George Mason University Department of Biostatistics.

Poster #9: Analyzing the Impact of In-source Fragmentation on Phosphors Derivative Metabolites to Improve Untargeted Metabolomics Analysis. Yue, Yang*; Cowart, L. Ashley; Allegood, Jeremy; Scalzo, Megan. Lipidomics and Metabolomics Shared Resource, Massey Cancer Center, Virginia Commonwealth University

Poster #10: Annotation of nontargeted LC-MS features in the Jackson Heart Study. Avila-Pacheco, Julian; Chen, Zsu-Zsu; Tahir, Usman; Katz, Dan; Yan, Gao; Shuilang, Deng; Wilson, James; Gerszten, Rob; Clish, Clary. Broad Institute of Harvard and MIT, Cambridge, MA, US.

Poster #11: Assessing redundancy in untargeted metabolomics feature picking to produce high-fidelity quantitative datasets. Bonitatibus, Sarah; Henke, Matt. Department of Pharmaceutical Sciences, University of Illinois at Chicago.

Poster #12: Comparison of Sample Preparation methods for At-home Feces Collection in Global Metabolomics. Lan, Renny; Assress, Hailemariam; Malaviarachchi, Priyangi; Kay, Colin. Metabolomics Core, Arkansas Children’s Nutrition Center, Arkansas Children’s Hospital, USA

Poster #13: Comprehensive Non-Targeted Characterization of Persistent Organic Pollutants (POPs) in Human Plasma Using GC and GCxGC with High-Performance TOFMS. John Hayes, David E. Alonso, and Joeseph E. Binkley. LECO Corporation

Poster #14: Cough Breath: A Method to Detect Airway Pathogens of Cystic Fibrosis Patients in the Age of Highly Effective Modulator Therapy. Karunarathne, Hansani1; Bridges, Christopher1; Remisoski, Lacy1; Crane, Maddey1; Casanova, Claudia1; Kinne, Samantha2; Castillo Bahena, Alicia2; Gil, Marissa3; Padillo, Lienwil3; Querido, Gabriel3; Mielke, Jenna3; McClelland, Marc2; Conrad, Doug3; and Quinn, Robert1. 1Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, MI, USA. 2 Corewell Health, Grand Rapids, MI, USA. 3 Department of Medicine, University of California San Diego, La Jolla, CA, USA.

Poster #15: Deep Matter annotation using 4D-Metabolomics in Glycyrrhiza uralensis used for Traditional Chinese Medicine. Forsberg, Erica M.; Nakabayashi, Ryo. Bruker Daltonics

Poster #16: Integrative LC-MS and GC-MS Metabolic Profiling Unveils Dynamic Changes during Barley Malting. Whitcomb, Sarah; Rani, Heena; Standish, Andy; Walling, Jason. USDA-ARS Cereal Crops Research Unit

Poster #17: Dietary Vitamin B6 Deficiency Impairs Liver and Fecal Metabolites in a Mouse Model of Non-Alcoholic Fatty Liver Disease. Mayengbam, Shyamchand; Amarasena, Sathya; Hossain, K Shaharina; Rasauli, Ava. Department of Biochemistry, Memorial University of Newfoundland, St. John’s, Canada

Poster #18: Elucidating exercise-responsive features in human plasma using multidimensional chromatography and a custom compound annotation workflow. Abraham Raskind, Charles R. Evans, Phd, Christopher Patsalis, M.S, Gayatri Iyer, PhD, Alexander Raskind, PhD, Alla Karnovsky, PhD, Charles F. Burant, M.D, PhD. University of Michigan

Poster #19: Emerging Opportunities and Obstacles in Metabolomic Epidemiology: A ChatGPT Study. Waylon J. Hastings. Texas A&M University Department of Nutrition

Poster #20: Fast scanning MRM quantitative lipidomics analysis. Paul RS Baker (1), Rebekah Sayers (2), David Calquhoun (1), and Ian Moore (3). 1. SCIEX, US; 2. SCIEX, UK; 3. SCIEX, CA

Poster #21: FraGNNet: A Deep Probabilistic Model for Mass Spectrum Prediction. Fei Wang, Adamo Young, Bo Wang, Hannes Röst, Russ Greiner, David S Wishart. University of Alberta, University of Toronto

Poster #22: Glucose and Glutamine Metabolism in Hypertrophic Cardiomyopathy and Its Association with Inflammatory Pathway Activation. Venturini, Gabriela; Padilha, Kallyandra; Pereira, Alexandre, Toepfer, Christopher; Seidman, Jon; Seidman, Christine. Department of Genetics, Harvard Medical School; Howard Hughes Medical Institute; Heart Institute, University of Sao Paulo; Division of Cardiovascular Medicine, Radcliffe Department of Medicine, University of Oxford

Poster #23: High-plex metabolomic profiling on the Orbitrap Astral mass spectrometer. Tan, Lin; Myer, Ciara; Xiong, Yun; Wei, Bo; Ding, Jibin; Tautenhahn, Ralf; Lorenzi, L Philip. 1. Metabolomics Core Facility, MD Anderson Cancer Center, Houston, TX, United States 2, ThermoFisher Scientific

Poster #24: iModMix: Integrative Modules for Multi-omics Data. Narvaez-Bandera, Isis; Lui, Ashley; Sulman, Noah; Wilson, Christopher; Welsh, Eric; Ercan, Dalia; Rubio, Vanessa; Ackerman, Hayley; Li, Guohui; Darville, Lancia; Fang, Bin; Eschrich, Steven; Koomen, John; Haura, Eric; DeNicola, Gina; Li, Qian; Chen, Ann; Flores, Elsa; Fridley, Brooke; Stewart, Paul. Moffitt Cancer Center

Poster #25: Integrating untargeted metabolomics and lipidomics with drug adherence monitoring in heart failure patients. Cajka, Tomas; Hricko, Jiri; Hola, Veronika; Rudl Kulhava, Lucie; Novakova, Michaela; Paucova, Michaela; Rakusanova, Stanislava. Institute of Physiology of the Czech Academy of Sciences, Videnska 1083, 14200 Prague, Czech Republic

Poster #26: Investigating systemic consequences following the depletion of native murine intestinal flora. Guzior, Douglas V; Stancliffe, Ethan; Rowles, Joe L; Gandhi, Monil; Cho, Kevin; Mehta, Ashima; Richardson, Adam; Cohen, Tom; Patti, Gary J. Panome Bio, Inc.; Washington University in St. Louis

Poster #27: Reverse Metabolomics in the Discovery of 3-Hydroxy N-Acyl Amides. Victoria Deleray1,2, Helena Mannochio-Russo1,2, Vincent Charron-Lamoureux1,2, Abubaker Patan1,2, Ipsita Mohanty1,2, Pieter C. Dorrestein1,2 1Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, United States. 2Collaborative Mass Spectrometry Innovation Center, University of California San Diego, La Jolla, CA, United States.

Poster #28: Root exudate chemodiversity in sorghum: implications for crop-mycorrhizal symbiosis. Garg, Chahat; Tharayil, Nishanth; Suseela, Vidya. Clemson University

Poster #29: SLC45A4 encodes a mitochondrial transporter that promotes GABA synthesis from ornithine. Xiaoyang Su, Cecilia Colson, Yujue Wang, James Atherton. Rutgers University

Poster #30: Targeted metabolomics analysis of key pathways to optimize cell culture media and feeds for Chinese Hamster Ovary cells. Asik, Didar; Nguyen, Vyncent; Ciganda, Martin; Tu, Chengjian; Goldfuss, Jaime S; Jacobia, Scott ; Dodson, Elizabeth; Campbell, Andy M. Thermo Fisher Scientific, Grand Island, NY; Thermo Fisher Scientific Hunt Valley, MD

Poster #31: The propensity for non-obese diabetic mice to develop Type 1 diabetes is modulated by antibiotic treatment and cecal material transplant: a lipidomics study. Diaz-Rubio, M. Elena; Zhang, Xuesong; Su, Xiaoyang; Blaser, Martin. Cancer Institute of New Jersey, Rutgers University, New Brunswick, NJ, United States; Center for Advanced Biotechnology and Medicine, Rutgers University, New Brunswick, NJ, United States; Department of Medicine, Rutgers Robert Wood Johnson Med Sch, New Brunswick, NJ.

Poster #32: The role of SNAT2 in the metabolic switch upon post-treatment glioblastoma recurrence. Bozelli, Jr Jose C1; Puri, A2,3; Venugopal, C3,4; Singh, SK2,3,4; Britz-McKibbin, P1 1Department of Chemistry and Chemical Biology, McMaster University, Hamilton, ON, Canada; 2Department of Biochemistry and Biomedical Sciences, McMaster University, Hamilton, ON, Canada; 3Centre for Discovery in Cancer Research (CDCR), McMaster University, Hamilton, ON, Canada; 4Department of Surgery, Faculty of Health Sciences, McMaster University, Hamilton, ON, Canada

Poster #33: Untargeted profiling of submetabolomes using chemical derivatization. Shujian Zheng; Joshua Mitchell; Shuzhao Li. The Jackson Laboratory For Genomic Medicine.

---

MANA 2024 Lightning Talks (5 minutes each)

Waylon Hastings: Emerging Opportunities and Obstacles in Metabolomic Epidemiology: A ChatGPT Study

Rohit Kumar: Metabolomics for deciphering cellular responses of gene dosage variation

Renny Lan: Comparison of Sample Preparation methods for At-home Feces Collection in Global Metabolomics

Jose C Bozelli, Jr: The role of SNAT2 in the metabolic switch upon post-treatment glioblastoma recurrence

Hansani Karunarathne: Cough Breath: A Method to Detect Airway Pathogens of Cystic Fibrosis Patients in the Age of Highly Effective Modulator Therapy

Gabriela Venturini da Silva: Glucose and Glutamine Metabolism in Hypertrophic Cardiomyopathy and Its Association with Inflammatory Pathway Activation

Location: Couch Auditorium

Time: Wednesday, October 23rd, 2:30-3:00 PM

---

---

4:00 Effects of Crabtree-induced metabolic rewiring on essential cellular processes in model yeast species
Harini Sridharan, April Miguez, Mark P. Styczynski
Georgia Institute of Technology

4:20 Deciphering bacterial-fungal chemical interaction between Burkholderia cenocepacia and Aspergillus fumigatus using Metabolomics
Jin, Jiangpeiyun; Garg, Neha
Georgia Institute of Technology

4:40 Lyso-Lipid Dynamics Reflect Thermal Tolerance in Reef Building Corals
Cline, Thomas; Samuel, Darnilla; Rosset, Sabrina; Roach, Ty; Tortorelli, Giada; Drury, Crawford; Quinn, Robert
Department of Biochemistry and Molecular Biology, Michigan State University, East Lansing, USA; Duke Marine Lab, Duke University, Beaufort, NC, USA; Hawaii Institute of Marine Biology, University of Hawaii and Manoa, Kaneohe Bay, HI

5:00 Investigating how abiotic stressors alter Cladocopium metabolism and impact coral holobiont dysbiosis
Chiles, Eric N (1,2); Su, Xiaoyang (2,3)
1. Graduate Program in Microbial Biology, Department of Biochemistry and Microbiology, Rutgers University, New Brunswick, NJ 08901, USA, 2. Metabolomics Shared Resource, Rutgers Cancer Institute of New Jersey, Rutgers University, New Brunswick, NJ 08901, USA, 3. Department of Medicine, Division of Endocrinology, Robert Wood Johnson Medical School, Rutgers University, New Brunswick, NJ 08901, USA

5:20 High throughput targeted metabolomics library generation on a novel mass spectrometer applied to microbiome analysis
Amer, Bashar1; Jacob, Cristina1; Remes, Philip M.1; Deshpande, Rahul Ravi1; Jafari, Reza2; Moehring, Thomas1; Bird, Susan S.1
1 Thermo Fisher Scientific, San Jose, California, USA. 2 MetaSci, Canada

5:40 Forward and Reverse Cosine Similarity Scoring During Real-Time Library Search for Triggering Additional Experiments on Indole Compounds
Bills, Brandon; Christopher, Michael W.; Yedla, Sunandini; Amer, Bashar; Bird, Susan; Deshpande, Rahul; Barshop, William; Prentice, Boone M.; Garrett, Timothy J.; Zabrouskov, Vlad
Author Affiliations
BB, SY, BA, SB, RD, WB, and VZ: Thermo Fisher Scientific, San Jose, California, USA; MC, BP, and TG: University of Florida, Department of Chemistry

4:00 Serial metabolite extractions reveal de novo formation of metabolite-protein interactions that mask analytes from detection
Ryan D. Sheldon, Molly T Soper-Hoper, Sydney Shenk, Rae J. House, Megan Gendjar
Van Andel Institute

4:20 Standardization and Software Enabling Automated Quantitative Metabolomics using Microchip CE-MS
Thompson, J. Will; Stewart, Sam; Redman, Erin; Mellors, Scott; Guerrette, Josh
908 Devices Inc

4:40 Rapid profiling of the human skin metabolome with heat pulse desorption mass spectrometry (HPD-MS)
Rankin-Turner, Stephanie; Hiraoka, Kenzo; Shimada, Haruo; Kinoshita, Kazumasa; Ninomiya, Satoshi
University of Pittsburgh, University of Yamanashi

5:00 Divergent Metabolic Fates of Aromatic Amino Acid-Derived Isomers: Insights from Metabolomics and HDX-HRMS/MS-Based Resolution of Tautomers
Christopher, Michael [1]; Ericson, Aiden [1]; Klug, Alexander [1]; Prentice, Boone [1]; Garrett, Timothy [1,2]
[1] Department of Chemistry, University of Florida, [2] Department of Pathology, Immunology, and Laboratory Medicine, University of Florida

5:20 Customizable Polymeric Nanocarriers for Interrogating Cellular Metabolism with Hydrophobic Tracers and Drugs
Vincent, Michael; Ellis, Abigail; Sheldon, Ryan
Van Andel Institute

5:40 Overcoming Speed and Sensitivity Barriers in Lipidomics with the Orbitrap Astral Mass Spectrometer
Ciara Myer, Rahul Ravi Deshpande, Bashar Amer, Susan S Bird
Thermo Fisher Scientific

---

Wednesday Evening Interactive Workshops (5:45-7 PM)

Working like a data scientist on Jupyter
Organizer(s): Shuzhao Li
Location: Ferman Conference Room

Quantitation in untargeted high resolution- mass spectrometry assays: innovations and challenges
Organizer(s): Lauren Petrick
Location: Couch Auditorium

The role and career path of early-career staff in core facility across North America
Organizer(s): Maryam Goudarzi, Uri Keshet, Prassana Kumaar, Hanan Alwaseem
Location: Murphey Conference Room

Overcoming challenges in ISO 15189 for an effective precision and translational medicine implementation.
Organizer(s): Yamilé López Hernández and Sindhu Nair
Location: Trustees Boardroom

---

Thursday

---

10:00 Discovering Distinct Metabolic Alterations for Colorectal Cancer Diagnosis and Monitoring
Jiangjiang (Chris) Zhu
The Ohio State University

10:20 Using Metabolites and Metabolomics to Identify Regulatory Allosteric Sites for Drug Discovery
Thomas Roddy, Gordon Murray, Joseph LaPointe, Anil Padyana, Marion Dorsch, Maria Jesus-Blanco, Shomit Sengupta
Atavistik Bio

10:40 Charting the metabolic biogeography of the colorectum in cancer: challenging the right sided versus left sided classification
Abhishek Jain 1, Montana T. Morris 2, Domenica Berardi 1, Trisha Arora 3, Xavier Domingo-Almenara 3, Philip B. Paty 4, Nicholas J. W. Rattray 5, Daniel Kerekes 2, Lingeng Lu 6, Sajid A. Khan 2, Caroline H. Johnson 1
1 Department of Environmental Health Sciences, Yale School of Public Health, 60 College Street, New Haven, CT, 06510, USA .2 Department of Surgery/Surgical Oncology, Yale School of Medicine, 333 Cedar Street, New Haven, CT, 06510, USA .3 EURECAT – Technology Centre of Catalonia, Omics Sciences Unit, Avda. Universitat 1, 43204 Reus, Catalonia, Spain. 4 Department of Surgery, Memorial Sloan Kettering Cancer Center, 1275 York Ave, New York, NY, 10065, USA. 5 Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde, Glasgow, UK .6 Department of Chronic Disease Epidemiology, Yale School of Public Health, 60 College Street, New Haven, CT06510, USA

11:00 NMR Metabolomics Biomarkers of Human Prostate Cancer from Biopsies After More Than 5-Year Follow-Up
Leo Cheng, Ella Zhang, Jiaqi Lu, Chin-lee Wu, Adam S. Feldman
Harvard Medical School

11:20 Metabolic Reprogramming of Tumor Microenvironment by Nitric Oxide
Erika M Palmieri1, Jonathan M. Weiss1, David A Wink1 and Daniel W McVicar1
1 National Cancer Institute, NIH, USA

11:40 Triboelectric Nanogenerator-Powered Laser Ablation/Nanoelectrospray Ionization (TENG LAESI) Mass Spectrometry Imaging Ion Source to Study Renal Cell Carcinomas
Ma, Xin; Leontyev, Dmitry; Asef, Carter K; Arnold, Rebecca S.; Petros, John A.; Fernández, Facundo M.
Department of Chemistry and Petit Institute for Bioengineering and Bioscience, Georgia Institute of Technology; Emory School of Medicine and Winship Cancer Institute, Emory University

---

10:00 COLMAR1d: A web server for automated, quantitative 1D NMR-based metabolomics at arbitrary magnetic fields
Da-Wei Li, Rodrigo Cabrera, Munki Choo, Lei Bruschweiler-Li, Alexandar L. Hansen, and Rafael Brüschweiler
The Ohio State University, Columbus, Ohio 43210, USA

10:20 Development of a Simultaneous Quantitation and Untargeted Discovery (SQUAD) workflow for coeluting sugar-phosphates using orthogonal fragmentation techniques
Yedla, Sunandini; Bills, Brandon; Deshpande, R. Rahul; Amer, Bashar; Bird, S. Susan; Zabrouskov, Vlad
Thermo Fisher Scientific

10:40 Metabolomic Analysis of Papanicolaou Tests for the Discovery of Ovarian Cancer Biomarkers
Schwiebert, Elisabeth(1); Sah, Samyukta(1,2); Moore, Samuel(1,2); Gaul, David (1,2); Boylan, Kristin (3); Skubitz, Amy (3); Fernández, Facundo (1,2)
School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332 (1), Petit Institute of Bioengineering and Bioscience, Georgia Institute of Technology, Atlanta, GA 30332 (2), Department of Laboratory Medicine and Pathology, University of Minnesota, Minneapolis, MN 55455 (3)

11:00 Assessing the utility of organ-on-a-chip technology for human relevant diagnostic biomarker identification
Clay, Allison; Goralski, Tyler; Fudge, Dylan; Jenkins, Conor; Lee, Priscilla; Dhummakupt, Elizabeth; Rizzo, Gabrielle
US Army DEVCOM Chemical Biological Center; Excet, A Precise Systems Company

11:20 How deep is the metabolome? Modified chromatography, multidimensional separations and derivatization enhance sensitivity and identification in untargeted metabolomics
Evans, Charles; Raskind, Abraham; Anderson, Brady
University of Michigan, Department of Internal Medicine

11:40 A consensus serum metabolome by large-scale data mining reveals major gaps in metabolomic measurements and modeling
Li, Shuzhao; Chi, Yuanye; Mitchell, Joshua; Thapa, Maheshwor; Zheng, Shujian; Smirnov, Aleksandr; Du, Xiuxia
The Jackson Laboratory for Genomic Medicine

---

Thursday Posters

Poster #1: Comprehensive Metabolite Profiling in Formalin-Fixed and Paraffin-embedded Tissue. Mehta, Ashima; Stancliffe Ethan; Richardson, Adam; Gandhi, Monil; Guzior, Douglas V.; Cho, Kevin; Cohen, Tom; Patti, Gary. Panome Bio Inc.; Washington University in St. Louis

Poster #2: Molecular formulae from fine structures of ultra-high-resolution LC-MS isotope patterns. Goncalo J. Gouveia (1), Delia Qu (2), Aaron M. Ferber (2), Maximilian J. Helf (3), Carla P. Gomes (2), Frank C. Schroeder (1) 1 – Boyce Thompson Institute and Department of Chemistry and Chemical Biology, Cornell University, Ithaca, NY, 14853, USA; 2- Department of Computer Science, Cornell University, Ithaca, NY 14853; 3 – Novartis Fabrikstrasse 2, 4056 Basel, Switzerland

Poster #3: Reproducibility of metabolomic profiles generated using the TruQuant platform in a multi-lab “round-robin” study design. Haley Chatelaine (1), Chris Beecher (2), Ewy A. Mathé (1) (1) National Center for Advancing Translational Sciences – National Institutes of Health, Rockville, MD; (2) IROA Technologies, Chapel Hill, NC

Poster #4: A pipeline for domain detection and annotation of spatial metabolomics data using hierarchical clustering and Shiny app integration. Oscar E. Ospina1, Eric Welsh2, Vanessa Rubio3, Lancia Darville4, Min Liu4, Joseph O. Johnson5, John Koomen3, Elsa R. Flores3, Brooke L. Fridley6, Paul Stewart1* 1 Department of Biostatistics and Bioinformatics, Moffitt Cancer Center, Tampa, FL; 2 Biostatistics and Bioinformatics Shared Resource, Moffitt Cancer Center, Tampa, FL; 3 Department of Molecular Oncology, Moffitt Cancer Center, Tampa, FL; 4 Proteomics and Metabolomics Core, Moffitt Cancer Center, Tampa, FL; 5 Analytic Microscopy Core, Moffitt Cancer Center, Tampa, FL; 6 Division of Health Services and Outcomes Research, Children’s Mercy Hospital, Kansas City, MO

Poster #5: A potential end-to-end workflow for analysing time-series NMR. Hossain, Zarif; Delaglio, Frank; Arnold, Jonathan; Edison, Arthur S. Institute of Bioinformatics, University of Georgia

Poster #6: ADAP informatics for analyzing untargeted LC-MS/MS metabolomics data for the NIH Common Fund’s Nutrition for Precision Health, powered by the All of Us Research Program. Xiuxia Du, Aleksandr Smirnov, Toan Nguyen, Radha Krishna Balaji Ponnuru, Blake Rushing, Susan McRitchie, Wimal Pathmasiri, Susan Sumner. UNC Charlotte, UNC Chapel Hill

Poster #7: Application of the sulfo-phospho-vanillin assay for total lipid pre-quantitation and correlation to proteins for sample normalization in untargeted lipidomic LC-MS/MS. Bailey, Laura S.; Basso, Karri B. University of Florida.

Poster #8: Automated and Efficient In-House Standards Database Development using R. Tisch, Adam; Bennouna, Djawed; Chatelaine, Haley; Mathé, Ewy. National Center for Advancing Translational Sciences (NCATS), Rockville, Maryland, USA.

Poster #9: Comparative study of NMR based metabolomics platforms for blood analysis from various species. Miki Watanabe-Chailland and Lindsey Romick-Rosendale. Cincinnati Children’s Hospital Medical Center

Poster #10: Development of a Synthetic Fecal Metabolite Calibration Solution. Da Silva, Sandra M.; Urbas, Aaron A.; Schock, Tracey; Davis, Clay and Sade, Youssef B. National Institute of Standards and Technology (NIST)

Poster #11: Differential Microbial and Metabolites Abundances in Rotten Fruits Drives Metabolic Variation Across Drosophila Genotypes. Fijabi Oluwatobi; Laura K. Reed. The University of Alabama, Tuscaloosa

Poster #12: Elucidating A Metabolic Trigger Leading To The Stoppage Of Transcription-Translation In Cell-Free Expression Systems. Vora, Soor; Styczynski, Mark. Georgia Tech Department of Chemical and Biomolecular Engineering

Poster #13: Evaluating the concordance of untargeted and quantitative metabolomics for characterizing metabolic dysregulation in colorectal cancer. Richardson, Adam D; Cho, Kevin; Stancliffe, Ethan; Mehta, Ashima; Guzior, Douglas V; Gandhi, Monil; Cohen, Tom; Patti, Gary J. Panome Bio, Inc.; Washington University in St. Louis

Poster #14: Investigation of diagnosis potential of Salivary metabolites for early detection of Vascular Cognitive impairment. Ali Yilmaz, PhD; Nadia Ashrafi, PhD; Delanie Goniwiecha; Stewart F. Graham, PhD.

Poster #15: iPRM-PASEF – a novel workflow for the analysis and interpretation of spatial on-tissue tandem mass spectrometry. Ramachandran Sumankalai(1), DelaCourt Andrew(1), Tao Nannan(1), Heijs Bram(2), Boskamp Tobias(2), Deininger Sören-Oliver(2), Kessler Nikolas(2), Fütterer Arne(2), Behrens Arne(2), Henkel Corinna(2), T. Smit Nadine(2), Stumpo Kate(1) (1)Bruker Scientific Inc; (2)Bruker Daltonics GmbH

Poster #16: LC-HRMS/MS analysis of phase II metabolites of common mycotoxins. Myriam Mireault, Elissa Mariani, Irina Slobodchikova, Calin Zainea and Dajana Vuckovic. Concordia University, Chemistry and Biochemistry department, Montreal, QC, Canada

Poster #17: Macrophage Infiltration in KRAS-Driven Lung Adenocarcinoma is driven by Lipid Metabolism and TAp73 Status. Vanessa Y. Rubio1, Hayley D. Ackerman1,2, Nicole Hackel1,2, Christina L. Carr1,2, Jaden Baldwin1,2, John M. Koomen1, Elsa R. Flores1,2 1Department of Molecular Oncology, 2Cancer Biology and Evolution Program, Moffitt Cancer Center, Tampa, Florida, USA, 33612.

Poster #18: MANA SODA: The Software and Data Exchange. Hitchcock, Daniel; Wu, Yue. The Broad Institute; Stanford University

Poster #19: Metabolomics and Exposome Laboratory at the UNC Nutrition Research Institute. Blake Rushing. University of North Carolina-Chapel Hill, Nutrition Research Institute, Department of Nutrition, Kannapolis, NC 28081

Poster #20: Metabolomics for deciphering cellular responses of gene dosage variation. Kumar, Rohit; Tharayil, Nishanth. Clemson University, SC, USA

Poster #21: Metabolomics uncovered the reason for differential rooting capacity within Eucalyptus hybrid species, highlighting potential biomarkers for mother plant selection. Salinas, Ignacio; Medina, Alex; Emhart, Verónica; Pérez, Andy J. Department of Instrumental Analysis, University of Concepcion, Chile.

Poster #22: Method for simplified simultaneous quantitation of the constituents of a chemically complex mixture and establishing quantitative linearity. de Jong F.(2), Ghosh D.(1), Beecher C.(2), Shulaev V.(1) 1Department of Biological Sciences, College of Science, University of North Texas, Denton, Texas; 2 IROA Technologies LLC, Chapel Hill, North Carolina

Poster #23: Organoid Analysis using Ultra-High Lateral Resolution AP-SMALDI Mass Spectrometry Imaging. Zhou, Mandy; Ghezellou, Parviz ; Elisa Badin, Max A. Müller,1,3 Svenja Pauer,4 Jasmin Ballout,4 Martin Diener,4 Kerstin Strupat,5 Bernhard Spengler1,3 1. Institute of Inorganic and Analytical Chemistry, Justus Liebig University Giessen, Giessen, Germany; 2. Department of Chemical Sciences, University of Padova, Padova, Italy; 3. TransMIT GmbH, Giessen, Germany; 4. Institute for Veterinary Physiology and Biochemistry, Justus Liebig University Giessen, Giessen, Germany; 5. Thermo Fisher Scientific (San Jose, San Jose, California

Poster #24: Plant Metabolomics Applied to Establishing the Foundation for Building Resistance Against Gonipterus platensis Defoliation in Eucalyptus Inter-Specific Hybrids. Pérez, Andy J.; Campos, Jasna V.; Salinas, Ignacio; Mardones, Claudia. Laboratorio de Metabolómica de Plantas e Imagenología Espectral de Masas (MetPlant & MSI Lab), Departamento de Análisis Instrumental, Facultad de Farmacia, Universidad de Concepción, Concepción, Chile

Poster #25: Plasma metabolomics of inhaled corticosteroid response in asthma patients. Dung T. Tran, MS, PhD; Yulu Chen PhD; Lourdes Ramirez, MD; Jessica Lasky-Su, M.S., ScD; Ann C. Wu, MD; Kelan G. Tantisira, MD, MPH; Michael McGeachie PhD; Scott T. Weiss, MD, MS; Amber Dahlin, PhD, MMSc. Channing Division of Network Medicine, Brigham and Women’s Hospital and Harvard Medical School, Boston, MA USA

Poster #26: Quantitation and structural characterization of lipid mediators by high-resolution mass spectrometry. Sayers, Rebekah(1); Proos, Robert(2); Baker, Paul RS(2); Norris, Paul(2); Zheng, Yi(3); Leyen, Klaus van(3); and Holm, Ted(4). 1) SCIEX, UK; 2) SCIEX, USA; 3) Neuroprotection Research Laboratories, Massachusetts General Hospital, Charlestown, MA; 4) Dept of Chemistry and Biochemistry, University of California at Santa Cuz, Santa Cruz, CA

Poster #27: Semi-quantification of triglycerides with resolved fatty acid composition using a targeted MS3 approach on a novel hybrid nominal mass instrument. Charles Maxey(1), Hector Gallart-Ayala(2), Julijana Ivanisevic(2), Rahul Ravi Deshpande(1), Bashar Amer(1), Susan S. Bird(1), Philip Remes(1), and Cristina C. Jacob(1) (1)Thermo Fisher Scientific, San Jose, CA; (2)Metabolomics Platform, Faculty of Biology and Medicine, University of Lausanne, Switzerland

Poster #28: SERCA activation shifts cardiac substrate utilization without impairing cardiac function in obese mice. Banerjee, Deveena; Hasenour, Clinton; Rahim, Mohsin; Bednarski, Tomasz; Young, Jamey. Vanderbilt University

Poster #29: Simultaneous quantitation and discovery (SQUAD) metabolomics workflow for the analysis of flavonoids and their conjugates in blood, urine and food samples. Carvajal-Miranda, Yendry; Amer, Bashar; Deshpande, Rahul; Bird, Susan S.; Bills, Brandon; Bennette, Brian; Newman, John; Fiehn, Oliver. Thermo Fisher Scientific Intern; PhD Student, Fiehn Lab, UC Davis

Poster #30: Simultaneous Quantitation and Discovery Analysis (SQUAD) of Lipids in Commercial Vegetable Oils using LC-HRAM-Tribrid platforms. Mattos, Thiago; Zhu, Mengyuan; Moy, Edmund; Bernal III, Claude. Thermo Fisher Scientific, West Palm Beach, FL, USA

Poster #31: Unraveling Brain Aging: Lipidomic and Metabolomic Insights from the CSF and Choroid Plexus. Prasanna Vadhana Ashok Kumaar. Buck Institute for Research on Aging

Poster #32: Untargeted Metabolomics Reveal Antioxidant and Anti-inflammatory Effects of Exercise in Drosophila. Kolapo-Mabayoje, R. ,Tolulope; Cross, Hogland; Gabriella, Bicanovsky; Jarmacus, Monroe; Laura, K. Reed. Department of Biological Sciences. The University of Alabama, Tuscaloosa

---

---

---

4:00 Improved Soil-Health and Pasture Phytochemical Richness Underlies Improved Cattle Health and Meat Nutritional Composition in Southern US Grass-Finished Beef Systems
Muhammad Ahsin; Jennifer Cloward; Robert E. Ward; Joseph V. Varre; Matt H. Poore; Johnny Rogers; Alan Franzluebbers; Sierra N. Young; Scott L. Kronberg; Frederick D. Provenza; James R. Bain; and Stephan van Vliet
Department of Nutrition, Dietetics, and Food Sciences, Utah State University, Logan, UT, USA 84322; Department of Animal Science, North Carolina State University, Raleigh, NC, USA, 27695; USDA-Agricultural Research Service, Raleigh, NC, USA, 27695; Department of Civil and Environmental Engineering, Utah State University, Logan, Utah, USA; USDA-Agricultural Research Service, Mandan, ND, USA 58554; Department of Wildland Resources, Utah State University, Logan, UT, USA 84322; Duke Molecular Physiology Institute, Duke University Medical Center, Durham, NC, USA, 27701

4:20 Exploring Metabolic Diversity in American Elderberry Fruits and Flowers
Sumner, Lloyd W.1; Kranawetter, Clayton 1; Ho, Khank-Van 1; Moore, Sydney2; O’Neal, Caleb3; Thomas, Andrew L.3
1Division of Biochemistry, Bond Life Sciences Center, Interdisciplinary Plant Group, University of Missouri, Columbia, MO. 2Division of Plant Science and Technology, University of Missouri, Columbia, MO. 3Division of Plant Science and Technology, Southwest Research, Extension and Education Center, University of Missouri, Mt. Vernon, MO

4:40 The impact of grass vs. grain-finishing practices on plant-secondary derived metabolites in beef: a nation-wide profiling study
Ali, Lamis; Ahsin, Muhammad; V Varre, Joseph; Cloward, Jennifer; Ward, Robert; Carbonell Herrera, Mittendorf, Camille; Statham, Travis; Marble, Shawna; Pinelli, Amanda; Kittredge, Dan; Van Vliet, Stephan
Department of Nutrition, Dietetics and Food Science, Utah State University, Logan, Utah; 2The Bionutrient Institute, MA

5:00 Juicy Insights: A Standardized, Nontargeted Metabolomics Approach to Facilitate a Global Comparison of Apples to Apples
Odenkirk, Melanie1; Vaniya, Arpana2; Read, Margaret1; Michel, Cole3; Doenges, Katrina3; Chaparro, Jacqueline1,4; Mitchell, Susan1; Montgomery, Nathan4; Broeckling, Corey4; Brinkley, Sarah5; Leaptrot, Katrina6; Sherrod, Stacy6; May, Jody6; Chaura, Juliana7; Velez Meija, Gabriel7; de Vos, Ric8; Fiehn, Oliver2; Reisdorph, Richard3; Reisdorph, Nichole3; McLean, John6; Jaramillo-Botero, Andres7,9; Hall, Robert8; Chien, Chi-Ming10; Shafizadeh, Tracy10; Prenni, Jessica10; Watkins, Steve10
1Department of Horticulture and Landscape Architecture, Colorado State University, Fort Collins, CO, United States; 2West Coast Metabolomics Center, University of California Davis, Davis, CA, United States; 3Skaggs School of Pharmacy and Pharmaceutical Sciences, University of Colorado, Denver, CO, United States; 4Analytical Resources Facility, Colorado State University, Fort Collins, CO, United States; 5CIAT Bioversity Alliance, Texas A&M University, College Station, TX, United States; 6Department of Chemistry and Center for Innovative Technology, Vanderbilt University, Nashville, TN, United States; 6iÓMICAS Institute, Pontificia Universidad Javeriana, Cali, Valle del Cauca, Colombia; 8Bioscience, Wageningen University and Research Centre (Wageningen-UR), PO Box 16, 6700 AA Wageningen, The Netherlands; 9Chemistry and Chemical Engineering Division, California Institute of Technology, Pasadena, CA 91125, United States; 10Verso Biosciences, Inc., Davis, CA, United States

5:20 Food for Thought: Characterizing 500 Commonly Consumed Foods through Standardized Metabolomics for The Periodic Table of Food Initiative
Arpana Vaniya; Jessica Prenni; Jacqueline M. Chaparro; Melanie Odenkirk; Margaret Read; Susan B. Mitchell; Corey Broeckling; Nathan Montgomery; Nichole Reisdorph; Richard Reisdorph; Cole Michel; Katrina A. Doenges; Oliver Fiehn; Stacy D. Sherrod; Katrina L. Leaptrot; Jody C. May; John A. McLean; Chi-Ming Chien; Tracy Shafizadeh; Steve Watkins
University of California Davis West Coast Metabolomics Center

5:40 Urinary Metabolite Profiling to Non-Invasively Monitor the Omega-3 Index
Kroezen, Zachary;1 Shanmuganathan, Meera;1; McIntyre, Britanny;2 Mutch, David;2 Britz-Mckibbin, Philip1
1. McMaster University, Dept. Chemistry and Chemical Biology, Hamilton, ON, Canada; 2. University of Guelph, Dept. Human Health and Nutritional Sciences, Guelph, ON, Canada

---

4:00 Acidic Methanol Treatment Facilitates MALDI-Mass Spectrometry Imaging of Energy Metabolism
Lu, Wenyun; Park, Noel R; TeSlaa, Tara; Jankowski, Connor SR; Rabinowitz, Joshua D; Davidson, Shawn M
Princeton University

4:20 Metabolic reprogramming during mammalian sperm activation
Melanie Balbach
Michigan State University

4:40 Carbon and Nitrogen Positional Isotopomer Determination in Metabolites using Stellar MS – a novel hybrid nominal mass instrument
Rahul Ravi Deshpande-1; Ayush Midha-2; Bashar Amer-1; Isha Jain-2; Cristina C. Jacob-1; Susan Bird-1
1-Thermo Fisher Scientific, San Jose, CA; 2-Gladstone Institutes, San Francisco, CA;

5:00 E. coli-based cell-free systems used in synthetic biology have complex metabolic dynamics
Mark P. Styczynski, April M. Miguez, Yan Zhang, Fernanda Piorino
Georgia Institute of Technology

5:20 Simultaneous in vivo multi-organ fluxomics reveals divergent metabolic adaptations in liver, heart, and skeletal muscle during obesity
Young, Jamey D.; Rahim, Mohsin; Bednarski, Tomasz K.; Hasenour, Clinton M.; Banerjee, Deveena R.; Trenary, Irina
Vanderbilt University

5:40 Serum biomarkers of Multiple Sclerosis are associated with metabolic flux rearrangement in brain cells: combining 1H metabolomics and 13C fluxomics.
Probert, Fay
Department of Chemistry, University of Oxford, Oxford, United Kingdom Department of Pharmacology, University of Oxford, Oxford, United Kingdom