Literature DB >> 32807955

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

Alan K Jarmusch1,2, Mingxun Wang1,2, Christine M Aceves1,2, Rohit S Advani1,2, Shaden Aguirre1,2, Alexander A Aksenov1,2, Gajender Aleti3, Allegra T Aron1,2, Anelize Bauermeister1,4, Sanjana Bolleddu1,2, Amina Bouslimani1,2, Andres Mauricio Caraballo Rodriguez1,2, Rama Chaar1,2, Roxana Coras5, Emmanuel O Elijah1,2, Madeleine Ernst1,2,6, Julia M Gauglitz1,2, Emily C Gentry1,2, Makhai Husband1,2, Scott A Jarmusch7, Kenneth L Jones1,2, Zdenek Kamenik8, Audrey Le Gouellec9, Aileen Lu1,2, Laura-Isobel McCall10, Kerry L McPhail11, Michael J Meehan1,2, Alexey V Melnik1,2, Riya C Menezes12, Yessica Alejandra Montoya Giraldo13, Ngoc Hung Nguyen1,2, Louis Felix Nothias1,2, Mélissa Nothias-Esposito1,2, Morgan Panitchpakdi1,2, Daniel Petras1,2,14, Robert A Quinn15, Nicole Sikora1,2, Justin J J van der Hooft1,16, Fernando Vargas1,2,17, Alison Vrbanac18, Kelly C Weldon1,2,19, Rob Knight18,19,20,21, Nuno Bandeira2,19,20, Pieter C Dorrestein22,23,24,25.   

Abstract

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.

Entities:  

Mesh:

Year:  2020        PMID: 32807955      PMCID: PMC7968862          DOI: 10.1038/s41592-020-0916-7

Source DB:  PubMed          Journal:  Nat Methods        ISSN: 1548-7091            Impact factor:   28.547


  1 in total

1.  MetaboLights: a resource evolving in response to the needs of its scientific community.

Authors:  Kenneth Haug; Keeva Cochrane; Venkata Chandrasekhar Nainala; Mark Williams; Jiakang Chang; Kalai Vanii Jayaseelan; Claire O'Donovan
Journal:  Nucleic Acids Res       Date:  2020-01-08       Impact factor: 16.971

  1 in total
  21 in total

1.  Enhancing untargeted metabolomics using metadata-based source annotation.

Authors:  Julia M Gauglitz; Kiana A West; Wout Bittremieux; Candace L Williams; Kelly C Weldon; Morgan Panitchpakdi; Francesca Di Ottavio; Christine M Aceves; Elizabeth Brown; Nicole C Sikora; Alan K Jarmusch; Cameron Martino; Anupriya Tripathi; Michael J Meehan; Kathleen Dorrestein; Justin P Shaffer; Roxana Coras; Fernando Vargas; Lindsay DeRight Goldasich; Tara Schwartz; MacKenzie Bryant; Gregory Humphrey; Abigail J Johnson; Katharina Spengler; Pedro Belda-Ferre; Edgar Diaz; Daniel McDonald; Qiyun Zhu; Emmanuel O Elijah; Mingxun Wang; Clarisse Marotz; Kate E Sprecher; Daniela Vargas-Robles; Dana Withrow; Gail Ackermann; Lourdes Herrera; Barry J Bradford; Lucas Maciel Mauriz Marques; Juliano Geraldo Amaral; Rodrigo Moreira Silva; Flavio Protasio Veras; Thiago Mattar Cunha; Rene Donizeti Ribeiro Oliveira; Paulo Louzada-Junior; Robert H Mills; Paulina K Piotrowski; Stephanie L Servetas; Sandra M Da Silva; Christina M Jones; Nancy J Lin; Katrice A Lippa; Scott A Jackson; Rima Kaddurah Daouk; Douglas Galasko; Parambir S Dulai; Tatyana I Kalashnikova; Curt Wittenberg; Robert Terkeltaub; Megan M Doty; Jae H Kim; Kyung E Rhee; Julia Beauchamp-Walters; Kenneth P Wright; Maria Gloria Dominguez-Bello; Mark Manary; Michelli F Oliveira; Brigid S Boland; Norberto Peporine Lopes; Monica Guma; Austin D Swafford; Rachel J Dutton; Rob Knight; Pieter C Dorrestein
Journal:  Nat Biotechnol       Date:  2022-07-07       Impact factor: 54.908

Review 2.  Advancements in capturing and mining mass spectrometry data are transforming natural products research.

Authors:  Scott A Jarmusch; Justin J J van der Hooft; Pieter C Dorrestein; Alan K Jarmusch
Journal:  Nat Prod Rep       Date:  2021-11-17       Impact factor: 13.423

3.  The LOTUS initiative for open knowledge management in natural products research.

Authors:  Adriano Rutz; Maria Sorokina; Jakub Galgonek; Daniel Mietchen; Egon Willighagen; Arnaud Gaudry; James G Graham; Ralf Stephan; Roderic Page; Jiří Vondrášek; Christoph Steinbeck; Guido F Pauli; Jean-Luc Wolfender; Jonathan Bisson; Pierre-Marie Allard
Journal:  Elife       Date:  2022-05-26       Impact factor: 8.713

4.  Non-targeted tandem mass spectrometry enables the visualization of organic matter chemotype shifts in coastal seawater.

Authors:  Daniel Petras; Jeremiah J Minich; Lucia B Cancelada; Ralph R Torres; Emily Kunselman; Mingxun Wang; Margot E White; Eric E Allen; Kimberly A Prather; Lihini I Aluwihare; Pieter C Dorrestein
Journal:  Chemosphere       Date:  2021-01-02       Impact factor: 7.086

Review 5.  New software tools, databases, and resources in metabolomics: updates from 2020.

Authors:  Biswapriya B Misra
Journal:  Metabolomics       Date:  2021-05-11       Impact factor: 4.290

Review 6.  Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices.

Authors:  Saleh Alseekh; Asaph Aharoni; Yariv Brotman; Kévin Contrepois; John D'Auria; Jan Ewald; Jennifer C Ewald; Paul D Fraser; Patrick Giavalisco; Robert D Hall; Matthias Heinemann; Hannes Link; Jie Luo; Steffen Neumann; Jens Nielsen; Leonardo Perez de Souza; Kazuki Saito; Uwe Sauer; Frank C Schroeder; Stefan Schuster; Gary Siuzdak; Aleksandra Skirycz; Lloyd W Sumner; Michael P Snyder; Huiru Tang; Takayuki Tohge; Yulan Wang; Weiwei Wen; Si Wu; Guowang Xu; Nicola Zamboni; Alisdair R Fernie
Journal:  Nat Methods       Date:  2021-07-08       Impact factor: 47.990

Review 7.  Contribution of the Gut Microbiome to Drug Disposition, Pharmacokinetic and Pharmacodynamic Variability.

Authors:  Shirley M Tsunoda; Christopher Gonzales; Alan K Jarmusch; Jeremiah D Momper; Joseph D Ma
Journal:  Clin Pharmacokinet       Date:  2021-05-07       Impact factor: 6.447

Review 8.  What We Know So Far about the Metabolite-Mediated Microbiota-Intestinal Immunity Dialogue and How to Hear the Sound of This Crosstalk.

Authors:  Clément Caffaratti; Caroline Plazy; Geoffroy Mery; Abdoul-Razak Tidjani; Federica Fiorini; Sarah Thiroux; Bertrand Toussaint; Dalil Hannani; Audrey Le Gouellec
Journal:  Metabolites       Date:  2021-06-21

Review 9.  Coupling Mass Spectral and Genomic Information to Improve Bacterial Natural Product Discovery Workflows.

Authors:  Max Crüsemann
Journal:  Mar Drugs       Date:  2021-03-05       Impact factor: 5.118

Review 10.  Metabolomics-Guided Elucidation of Plant Abiotic Stress Responses in the 4IR Era: An Overview.

Authors:  Morena M Tinte; Kekeletso H Chele; Justin J J van der Hooft; Fidele Tugizimana
Journal:  Metabolites       Date:  2021-07-08
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