John R. Cort (Project Lead)Senior Research Scientist Biological Sciences Division Pacific Northwest National Laboratory USA | Dr. Cort received his Ph.D. in Chemistry from University of Washington in 1997. He is a Senior Research Scientist in the Biological Sciences Division at Pacific Northwest National Laboratory, and is also a Research Associate Professor (WSU-PNNL Joint Appointment) in the Institute of Biological Chemistry at Washington State University. Some of his research interests are biomolecular NMR spectroscopy and mass spectrometry, structure-based functional genomics and characterization of complex mixtures of metabolites and products of biomass conversion. Dr. Cort is the project lead of NP-MRD Project. | Moinuddin S., J.R. Cort, C.A. Smith, C. Hano, L.B. Davin, and N.G. Lewis. Linum Lignan and Associated Biochemical Pathways in Human Health and Plant Defense. In Genetics and Genomics of Linum, 2019, edited by CA Cullis. 167-193. DOI: 10.1007/978-3-030-23964-0_11 Q Meng, SGA Moinuddin, S-Jin Kim, DL Bedgar, MA Costa, DG Thomas, CA Smith, JR Cort, LB Davin, NG Lewis. Pterocarpan synthase (PTS) structures suggest a common quinone methide stabilizing function in dirigent proteins and dirigent-like domains. Journal of Biological Chemistry Papers in Press, 2020 June 21. DOI: 10.1074/jbc.RA120.012444. Rhea C Garcellano, Syed GA Moinuddin, Robert P Young, Mowei Zhou, Mark E Bowden, Ryan S Renslow, Yasemin Yesiltepe, Dennis G Thomas, Sean M Colby, Christopher D Chouinard, Gabe Nagy, Isaac K Attah, Yehia M Ibrahim, Rui Ma, Scott G Franzblau, Norman G Lewis, Alicia M Aguinaldo, John R Cort. Isolation of Tryptanthrin and Reassessment of Evidence for Its Isobaric Isostere Wrightiadione in Plants of the Wrightia Genus. J Nat Prod. 2019 Mar 22;82(3):440-448. DOI: 10.1021/acs.jnatprod.8b00567. Epub 2018 Oct 8. PubMed: 30295480 Fernanda de Carvalho Oliveira, Keerthi Srinivas, Gregory L Helms, Nancy G Isern, John R Cort, Adilson Roberto Gonçalves, Birgitte Kiær Ahring. Characterization of coffee (Coffea arabica) husk lignin and degradation products obtained after oxygen and alkali addition. Bioresour Technol. 2018 Jun;257:172-180. DOI: 10.1016/j.biortech.2018.01.041. Epub 2018 Feb 16. PubMed: 29500951 John K Everett, Roberto Tejero, Sarath B K Murthy, Thomas B Acton, James M Aramini, Michael C Baran, Jordi Benach, John R Cort et al. A Community Resource of Experimental Data for NMR / X-ray Crystal Structure Pairs. Protein Sci. 2016 Jan;25(1):30-45. DOI: 10.1002/pro.2774. Epub 2015 Sep 22. PubMed: 26293815 KW Kim, CA Smith, MD Daily, JR Cort, LB Davin, NG Lewis. Trimeric Structure of ()-Pinoresinol-forming Dirigent Protein at 1.95 Å Resolution with Three Isolated Active Sites. The Journal of Biological Chemistry, 2015 January 16;290(3):1308-1318. DOI: 10.1074/jbc.M114.611780.
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Roger Linington (co-investigator)Associate Professor Department of Chemistry Simon Fraser University 8888 University Drive Burnaby, BC V5H 1S6 Canada Tel: 778-782-3517 | Dr. Linington is an Associate Professor in the Department of Chemistry at Simon Fraser University. His research is focused on contemporary applications of marine natural products chemistry to biological problems with specific interests in the development of new high-content screening technologies, the discovery and hit-to-lead development of lead scaffolds for drug development, and the determination of compound modes of action. | Yoo, E.; Schulze, C. J.; Stokes, B. H.; Onguka, O.; Yeo, T.; Mok, S.; Gnädig, N. F.; Zhou, Y.; Kurita, K.; Foe, I. T.; Terrell, S. M.; Boucher, M. J.; Cieplak, P.; Kumpornsin, K.; Lee, M. C. S.; Linington, R. G.; Long, J. Z.; Uhlemann, A.-C.; Weerapana, E.; Fidock, D. A.; Bogyo, M. The Antimalarial Natural Product Salinipostin A Identifies Essential α/β Serine Hydrolases Involved in Lipid Metabolism in P. falciparum Parasites. Cell Chemical Biology, 2020, ASAP. DOI: 10.1016/j.chembiol.2020.01.001. PubMed: 31978322 Van Santen, J. A.; Jacob, G.; Leen Singh, A.; Aniebok, V.; Balunas, M. J.; Bunsko, D.; Carnevale Neto, F.; Castaño-Espriu, L.; Chang, C.; Clark, T. N.; Cleary Little, J. L.; Delgadillo, D. A.; Dorrestein, P. C.; Duncan, K. R.; Egan, J. M.; Galey, M. M.; Haeckl, F. P. J.; Hua, A.; Hughes, A. H.; Iskakova, D.; Khadilkar, A.; Lee, J.-H.; Lee, S.; LeGrow, N.; Liu, D. Y.; Macho, J. M.; McCaughey, C. S.; Medema, M. H.; Neupane, R. P.; O’Donnell, T. J.; Paula, J. S.; Sanchez, L. M.; Shaikh, A. F.; Soldatou, S.; Terlouw, B. R.; Tran, T. A.; Valentine, M.; van der Hooft, J. J. J.; Vo, D. A.; Wang, M.; Wilson, D.; Zink, K. E.; Linington, R. G. The Natural Products Atlas: An Open Access Knowledge Base for Microbial Natural Products Discovery. ACS Central Science, 2019, 5, 1824-1833. DOI: 10.1021/acscentsci.9b00806. PubMed: 31807684 Linington, R. G.*; Kubanek, J.; Luesch, H. New Methods for Isolation and Structure Determination of Natural Products. Natural Product Reports, 2019, 36, 942-943. DOI: 10.1039/C9NP90023C. PubMed: 31250867 Ueoka, R.; Bhushan, A.; Probst, S.I.; Bray, W.M.; Lokey, R.S.; Linington, R.G.; Piel, J. Genome-Based Identification of a Plant-Associated Marine Bacterium as a Rich Natural Product Source. Angewandte Chemie International Edition, 2018, 57, 14519-14523. DOI: 10.1002/anie.201805673. PubMed: 30025185 Pye, C.; Bertin, M.; Lokey, R. S.; Gerwick, W. H.*; Linington, R. G. Retrospective Analysis of Natural Products Provides Insights for Future Discovery Trends. Proceedings of the National Academy of Sciences, USA, 2017, 114, 5601 - 5606. DOI: 10.1073/pnas.1614680114. PubMed: 28461474 Kurita, K. L.; Glassey, E.; Linington, R. G. Integration of High-Content Screening and Untargeted Metabolomics for Comprehensive Functional Annotation of Natural Product Libraries. Proceedings of the National Academy of Sciences, USA, 2015, 112, 11999-12004. DOI: 10.1073/pnas.1507743112. PubMed: 26371303
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Lloyd Sumner (co-investigator)Professor of Biochemistry & Director of MU Metabolomics Center 240D Christopher S. Bond Life Sciences Center 1201 Rollins Street Columbia, MO 65211 USA Tel: 573-882-5486 | Dr. Sumner is a Professor in the Departments of Biochemistry and Molecular Biology and the Director of Metabolomics Center at the University of Missouri. His research focus includes the development, integration and application of large-scale biochemical profiling of plant metabolites, proteins, and transcripts (metabolomics, proteomics and transcriptomics) for the discovery and characterization of the molecular and biochemical components related to plant natural products/specialized metabolites biosynthesis. | Bhatia A, Sarma SJ, Lei Z, Sumner LW. (2019). UHPLC-QTOF-MS/MS-SPE-NMR: A Solution to the Metabolomics Grand Challenge of Higher-Throughput, Confident Metabolite Identifications. Methods Mol Biol. 2037:113-133. DOI: 10.1007/978-1-4939-9690-2_7. PubMed: 31463842 Lei Z, Watson BS, Huhman D, Yang DS, Sumner LW. (2019). Large-Scale Profiling of Saponins in Different Ecotypes of Medicago truncatula. Front Plant Sci. 10:850. DOI: 10.3389/fpls.2019.00850. eCollection 2019. PubMed: 31333696 Poudel AN, Holtsclaw RE, Kimberlin A, Sen S, Zeng S, Joshi T, Lei Z, Sumner LW, Singh K, Matsuura H, Koo AJ. (2019). 12-Hydroxy-jasmonoyl-L-isoleucine is an active jasmonate that signals through CORONATINE INSENSITIVE 1 and contributes to the wound response in Arabidopsis. Plant Cell Physiol. 2019 May 31. DOI: 10.1093/pcp/pcz109. PubMed: 31150089 Tzin V, Snyder JH, Yang DS, Huhman DV, Watson BS, Allen SN, Tang Y, Miettinen K, Arendt P, Pollier J, Goossens A, Sumner LW. (2019). Integrated metabolomics identifies CYP72A67 and CYP72A68 oxidases in the biosynthesis of Medicago truncatula oleanate sapogenins. Metabolomics. 15(6):85. DOI: 10.1007/s11306-019-1542-1. PubMed: 31144047 Lei Z, Sumner BW, Bhatia A, Sarma SJ, Sumner LW. (2019). UHPLC-MS Analyses of Plant Flavonoids. Curr Protoc Plant Biol. 4(1):e20085. DOI: 10.1002/cppb.20085. PubMed: 30489018 Qiu F, Lei Z, Sumner LW. (2018). MetExpert: An expert system to enhance gas chromatography‒mass spectrometry-based metabolite identifications. Anal Chim Acta. 1037:316-326. DOI: 10.1016/j.aca.2018.03.052. PubMed: 30292308
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David Wishart (co-investigator)Professor Departments of Computing Science and Biological Sciences University of Alberta Edmonton, Alberta T6G 2E8 Office: 341 Athabasca Hall Canada Tel: 780-492-0383 | Dr. David Wishart (Ph.D. Yale, 1991) is a Professor in the Departments of Biological Sciences and Computing Science at the University of Alberta. He has active research programs in metabolomics, proteomics, genomics, bioinformatics, cheminformatics, machine learning, molecular biology, organic chemistry, structural biology and nanotechnology. Some of his lab's most significant contributions have been in the area of protein chemical shift analysis and the prediction of protein structure. | Vanessa Neveu, Geneviève Nicolas, Reza M Salek, David S Wishart, Augustin Scalbert. Exposome-Explorer 2.0: An Update Incorporating Candidate Dietary Biomarkers and Dietary Associations With Cancer Risk. Nucleic Acids Res. 2020 Jan 8;48(D1):D908-D912. DOI: 10.1093/nar/gkz1009. PubMed: 31724701 Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M. PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. DOI: 10.1093/nar/gkz861. PubMed: 31602464 DS Wishart. NMR metabolomics: A look ahead. J Magn Reson. 2019 Sep;306:155-161. DOI: 10.1016/j.jmr.2019.07.013. PubMed: 31377153 Abdul-Hamid Emwas, Raja Roy, Ryan T McKay, Leonardo Tenori, Edoardo Saccenti, G A Nagana Gowda, Daniel Raftery, Fatimah Alahmari, Lukasz Jaremko, Mariusz Jaremko, David S Wishart. NMR Spectroscopy for Metabolomics Research. Metabolites. 2019 Jun 27;9(7):123. 23DOI: 10.3390/metabo9070123. PubMed: 31252628 Rosa Vázquez-Fresno, Albert Remus R Rosana, Tanvir Sajed, Tuviere Onookome-Okome, Noah A Wishart, David S Wishart. Herbs and Spices-Biomarkers of Intake Based on Human Intervention Studies–A Systematic Review. Genes Nutr. 2019 May 22;14:18. DOI: 10.1186/s12263-019-0636-8. PubMed: 31143299 Lipfert M, Rout MK, Berjanskii M, Wishart DS. Automated Tools for the Analysis of 1D-NMR and 2D-NMR Spectra. Methods in Molecular Biology (Clifton, N.J.). 2019. 2037: 429-449. DOI: 10.1007/978-1-4939-9690-2_24. PubMed: 31463859
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Niri Govind (co-investigator)Physicist Chemical Physics Theory Team Pacific Northwest National Laboratory USA | Dr. Niri Govind is a physicist on the Chemical Physics Theory Team at PNNL. | Boglaienko D., A. Andersen, S.M. Heald, T. Varga, D.R. Mortensen, S. Tetef, and G.T. Seidler, et al. 2022. "X-ray Absorption Spectroscopy of Trivalent Eu, Gd, Tb, and Dy Chlorides and Oxychlorides." Journal of Alloys and Compounds 897. PNNL-SA-160952. doi:10.1016/j.jallcom.2021.162629 Denis E.H., J.L. Bade, R.S. Renslow, K.A. Morrison, M.K. Nims, N. Govind, and R.G. Ewing. 2022. "Proton affinity values of fentanyl and fentanyl analogues pertinent to ambient ionization and detection." Journal of the American Society for Mass Spectrometry 33, no. 3:482-490. PNNL-SA-163206. doi:10.1021/jasms.1c00320
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