Guiding the choice of informatics software and tools for lipidomics research applications

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Zhixu Ni - , Center for Membrane Biochemistry and Lipid Research (First author)
  • Michele Wölk - , Center for Membrane Biochemistry and Lipid Research (Author)
  • Geoff Jukes - , Cardiff University (Author)
  • Karla Mendivelso Espinosa - , Cardiff University (Author)
  • Robert Ahrends - , University of Vienna (Author)
  • Lucila Aimo - , Swiss Institute of Bioinformatics (Author)
  • Jorge Alvarez-Jarreta - , Cardiff University (Author)
  • Simon Andrews - , Babraham Institute (Author)
  • Robert Andrews - , Cardiff University (Author)
  • Alan Bridge - , Swiss Institute of Bioinformatics (Author)
  • Geremy C Clair - , Pacific Northwest National Laboratory (Author)
  • Matthew J Conroy - , Cardiff University (Author)
  • Eoin Fahy - , University of California at Irvine (Author)
  • Caroline Gaud - , Babraham Institute (Author)
  • Laura Goracci - , University of Perugia (Author)
  • Jürgen Hartler - , Graz University of Technology (Author)
  • Nils Hoffmann - , Bielefeld University (Author)
  • Dominik Kopczyinki - , University of Vienna (Author)
  • Ansgar Korf - , Bruker Daltonics GmbH & Co. KG (Author)
  • Andrea F Lopez-Clavijo - , Babraham Institute (Author)
  • Adnan Malik - , EMBL European Bioinformatics Institute (EBI) (Author)
  • Jacobo Miranda Ackerman - , Max Planck Institute of Molecular Cell Biology and Genetics (Author)
  • Martijn R Molenaar - , Structural and Computational Biology Unit (Author)
  • Claire O'Donovan - , EMBL European Bioinformatics Institute (EBI) (Author)
  • Tomáš Pluskal - , IOCB Prague - Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (Author)
  • Andrej Shevchenko - , Max Planck Institute of Molecular Cell Biology and Genetics (Author)
  • Denise Slenter - , Maastricht University (Author)
  • Gary Siuzdak - , Scripps Research Institute (Author)
  • Martina Kutmon - , Maastricht University (Author)
  • Hiroshi Tsugawa - , Tokyo University of Agriculture and Technology (Author)
  • Egon L Willighagen - , Maastricht University (Author)
  • Jianguo Xia - , McGill University (Author)
  • Valerie B O'Donnell - , Cardiff University (Author)
  • Maria Fedorova - , Center for Membrane Biochemistry and Lipid Research (Last author)

Abstract

Progress in mass spectrometry lipidomics has led to a rapid proliferation of studies across biology and biomedicine. These generate extremely large raw datasets requiring sophisticated solutions to support automated data processing. To address this, numerous software tools have been developed and tailored for specific tasks. However, for researchers, deciding which approach best suits their application relies on ad hoc testing, which is inefficient and time consuming. Here we first review the data processing pipeline, summarizing the scope of available tools. Next, to support researchers, LIPID MAPS provides an interactive online portal listing open-access tools with a graphical user interface. This guides users towards appropriate solutions within major areas in data processing, including (1) lipid-oriented databases, (2) mass spectrometry data repositories, (3) analysis of targeted lipidomics datasets, (4) lipid identification and (5) quantification from untargeted lipidomics datasets, (6) statistical analysis and visualization, and (7) data integration solutions. Detailed descriptions of functions and requirements are provided to guide customized data analysis workflows.

Details

Original languageEnglish
Pages (from-to)193-204
Number of pages12
JournalNature methods
Volume20
Issue number2
Publication statusPublished - Feb 2023
Peer-reviewedYes

External IDs

PubMedCentral PMC10263382
Scopus 85144411156
ORCID /0000-0002-4692-3885/work/149081292

Keywords

Keywords

  • Computational Biology/methods, Lipidomics, Software, Informatics, Lipids/chemistry