ReDU: a framework to find and reanalyze public mass spectrometry data


Por: Jarmusch A.K., Wang M., Aceves C.M., Advani R.S., Aguirre S., Aksenov A.A., Aleti G., Aron A.T., Bauermeister A., Bolleddu S., Bouslimani A., Caraballo Rodriguez A.M., Chaar R., Coras R., Elijah E.O., Ernst M., Gauglitz J.M., Gentry E.C., Husband M., Jarmusch S.A., Jones K.L., II, Kamenik Z., Le Gouellec A., Lu A., McCall L.-I., McPhail K.L., Meehan M.J., Melnik A.V., Menezes R.C., Montoya Giraldo Y.A., Nguyen N.H., Nothias L.F., Nothias-Esposito M., Panitchpakdi M., Petras D., Quinn R.A., Sikora N., van der Hooft J.J.J., Vargas F., Vrbanac A., Weldon K.C., Knight R., Bandeira N., Dorrestein P.C.

Publicada: 1 ene 2020 Ahead of Print: 1 ago 2020
Resumen:
We present ReDU (https://redu.ucsd.edu/), a system for metadata capture of public mass spectrometry-based metabolomics data, with validated controlled vocabularies. Systematic capture of knowledge enables the reanalysis of public data and/or co-analysis of one’s own data. ReDU enables multiple types of analyses, including finding chemicals and associated metadata, comparing the shared and different chemicals between groups of samples, and metadata-filtered, repository-scale molecular networking. © 2020, The Author(s), under exclusive licence to Springer Nature America, Inc.

Filiaciones:
Jarmusch A.K.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Wang M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Aceves C.M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Advani R.S.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Aguirre S.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Aksenov A.A.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Aleti G.:
 Department of Psychiatry, Stein Clinical Research, University of California, San Diego, La Jolla, CA, United States

Aron A.T.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Bauermeister A.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Institute of Biomedical Sciences, Universidade de São Paulo, São Paulo, Brazil

Bolleddu S.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Bouslimani A.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Caraballo Rodriguez A.M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Chaar R.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Coras R.:
 Department of Medicine, University of California, San Diego, La Jolla, CA, United States

Elijah E.O.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Ernst M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

 Center for Newborn Screening, Department of Congenital Disorders, Statens Serum Institut, Copenhagen, Denmark

Gauglitz J.M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Gentry E.C.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Husband M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Jarmusch S.A.:
 Marine Biodiscovery Centre, Department of Chemistry, University of Aberdeen, Old Aberdeen, United Kingdom

Jones K.L.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

II:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Kamenik Z.:
 Institute of Microbiology, Czech Academy of Sciences, Videnska, Czech Republic

Le Gouellec A.:
 TIMC-IMAG, Univ. Grenoble Alpes, CNRS, Grenoble INP, CHU Grenoble Alpes, Grenoble, France

Lu A.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

McCall L.-I.:
 Department of Chemistry and Biochemistry, Department of Microbiology and Plant Biology, and Laboratories of Molecular Anthropology and Microbiome Research, University of Oklahoma, Norman, OK, United States

McPhail K.L.:
 Department of Pharmaceutical Sciences, College of Pharmacy, Oregon State University, Corvallis, OR, United States

Meehan M.J.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Melnik A.V.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Menezes R.C.:
 Research Group Mass Spectrometry, Max Planck Institute for Chemical Ecology, Jena, Germany

Montoya Giraldo Y.A.:
 Grupo de Investigación en Ciencias Biológicas y Bioprocesos (CIBIOP), Department of Biological Sciences, Universidad EAFIT, Medellín, Colombia

Nguyen N.H.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Nothias L.F.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Nothias-Esposito M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Panitchpakdi M.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

Petras D.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

 Scripps Institution of Oceanography, University of California, San Diego, La Jolla, CA, United States

Quinn R.A.:
 Department of Biochemistry and Molecular Biology, Michigan State University, Lansing, MI, United States

Sikora N.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

van der Hooft J.J.J.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Bioinformatics Group, Wageningen University, Wageningen, Netherlands

Vargas F.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

 Division of Biological Sciences, University of California, San Diego, La Jolla, CA, United States

Vrbanac A.:
 Department of Pediatrics, School of Medicine, University of California, San Diego, La Jolla, CA, United States

Weldon K.C.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

 Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, United States

Knight R.:
 Department of Pediatrics, School of Medicine, University of California, San Diego, La Jolla, CA, United States

 Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, United States

 Department of Computer Science and Engineering, University of California, San Diego, La Jolla, CA, United States

 Department of Bioengineering, University of California, San Diego, La Jolla, CA, United States

Bandeira N.:
 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

 Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, United States

 Department of Computer Science and Engineering, University of California, San Diego, La Jolla, CA, United States

Dorrestein P.C.:
 Collaborative Mass Spectrometry Innovation Center, University of California, San Diego, La Jolla, CA, United States

 Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, La Jolla, CA, United States

 Department of Pediatrics, School of Medicine, University of California, San Diego, La Jolla, CA, United States

 Center for Microbiome Innovation, University of California, San Diego, La Jolla, CA, United States
ISSN: 15487091
Editorial
Nature Publishing Group, MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND, Estados Unidos America
Tipo de documento: Article
Volumen: 17 Número: 9
Páginas: 901-904
WOS Id: 000560290600002
ID de PubMed: 32807955
imagen Green Accepted, Green Submitted, Green

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