Abstract
Liquid chromatography-mass spectrometry (LC-MS)-based nontargeted metabolome approaches aim to detect chemotypes as markers for stress, disease, developmental, or genetic perturbation. Herein, we present a metabolite fingerprinting workflow, which is applicable for the analysis of tissues and fluids derived from plants and fungi. This is based on a broad metabolite coverage by a two-phase extraction and the separate analysis of polar, and nonpolar compounds by positive as well as negative electrospray ionization. For analysis of the resulting comprehensive data sets, the interactive and user-friendly data mining software MarVis-Suite is used. It supports statistical analysis, adduct correction, data merging, as well as visualization of multivariate data. Finally, MarVis shapes marker identification to the organism of interest. Therefore, it provides access to the species-specific databases KEGG and BioCyc and to custom databases tailored by the user.
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References
Scholz M, Gatzek S, Sterling A, Fiehn O, Selbig J (2004) Metabolite fingerprinting: detecting biological features by independent component analysis. Bioinformatics 20(15):2447–2454
Kumar R, Bohra A, Pandey AK, Pandey MK, Kumar A (2017) Metabolomics for plant improvement: status and prospects. Front Plant Sci 8(1302). https://doi.org/10.3389/fpls.2017.01302
Tenenboim H, Brotman Y (2016) Omic relief for the biotically stressed: metabolomics of plant biotic interactions. Trends Plant Sci 21(9):781–791. https://doi.org/10.1016/j.tplants.2016.04.009
Fernandez O, Urrutia M, Bernillon S, Giauffret C, Tardieu F, Le Gouis J, Langlade N, Charcosset A, Moing A, Gibon Y (2016) Fortune telling: metabolic markers of plant performance. Metabolomics 12(10):1–14. https://doi.org/10.1007/s11306-016-1099-1
Haggarty J, Burgess KEV (2017) Recent advances in liquid and gas chromatography methodology for extending coverage of the metabolome. Curr Opin Biotechnol 43:77–85. https://doi.org/10.1016/j.copbio.2016.09.006
Doerr A (2017) Global metabolomics. Nat Methods 14(1):32–32. https://doi.org/10.1038/nmeth.4112
Spicer R, Salek RM, Moreno P, Cañueto D, Steinbeck C (2017) Navigating freely-available software tools for metabolomics analysis. Metabolomics 13(9):106. https://doi.org/10.1007/s11306-017-1242-7
Huan T, Forsberg EM, Rinehart D, Johnson CH, Ivanisevic J, Benton HP, Fang M, Aisporna A, Hilmers B, Poole FL, Thorgersen MP, Adams MWW, Krantz G, Fields MW, Robbins PD, Niedernhofer LJ, Ideker T, Majumder EL, Wall JD, Rattray NJW, Goodacre R, Lairson LL, Siuzdak G (2017) Systems biology guided by XCMS online metabolomics. Nat Methods 14(5):461–462. https://doi.org/10.1038/nmeth.4260
Baran R (2017) Untargeted metabolomics suffers from incomplete raw data processing. Metabolomics 13(9):107. https://doi.org/10.1007/s11306-017-1246-3
Xia J, Wishart DS (2016) Using MetaboAnalyst 3.0 for comprehensive metabolomics data analysis. In: Current protocols in bioinformatics. John Wiley & Sons, Inc. https://doi.org/10.1002/cpbi.11
Mahieu NG, Genenbacher JL, Patti GJ (2016) A roadmap for the XCMS family of software solutions in metabolomics. Curr Opin Chem Biol 30:87–93. https://doi.org/10.1016/j.cbpa.2015.11.009
Sedio BE (2017) Recent breakthroughs in metabolomics promise to reveal the cryptic chemical traits that mediate plant community composition, character evolution and lineage diversification. New Phytol 214(3):952–958. https://doi.org/10.1111/nph.14438
Feussner I, Polle A (2015) What the transcriptome does not tell—proteomics and metabolomics are closer to the plants’ patho-phenotype. Curr Opin Plant Biol 26(0):26–31. https://doi.org/10.1016/j.pbi.2015.05.023
Bruckhoff V, Haroth S, Feussner K, König S, Brodhun F, Feussner I (2016) Functional characterization of CYP94-genes and identification of a novel jasmonate catabolite in flowers. PLoS One 11(7):e0159875. https://doi.org/10.1371/journal.pone.0159875
König S, Feussner K, Kaever A, Landesfeind M, Thurow C, Karlovsky P, Gatz C, Polle A, Feussner I (2014) Soluble phenylpropanoids are involved in the defense response of Arabidopsis against Verticillium longisporum. New Phytol 202(3):823–837. https://doi.org/10.1111/nph.12709
König S, Feussner K, Schwarz M, Kaever A, Iven T, Landesfeind M, Ternes P, Karlovsky P, Lipka V, Feussner I (2012) Arabidopsis mutants of sphingolipid fatty acid α-hydroxylases accumulate ceramides and salicylates. New Phytol 196(4):1086–1097. https://doi.org/10.1111/j.1469-8137.2012.04351.x
Floerl S, Majcherczyk A, Possienke M, Feussner K, Tappe H, Gatz C, Feussner I, Kües U, Polle A (2012) Verticillium longisporum infection affects the leaf apoplastic proteome, metabolome, and cell wall properties in Arabidopsis thaliana. PLoS One 7(2):e31435. https://doi.org/10.1371/journal.pone.0031435
Tanaka S, Brefort T, Neidig N, Djamei A, Kahnt J, Vermerris W, Koenig S, Feussner K, Feussner I, Kahmann R (2014) A secreted Ustilago maydis effector promotes virulence by targeting anthocyanin biosynthesis in maize. eLife 3:e01355. https://doi.org/10.7554/eLife.01355
Djamei A, Schipper K, Rabe F, Ghosh A, Vincon V, Kahnt J, Osorio S, Tohge T, Fernie AR, Feussner I, Feussner K, Meinicke P, Stierhof Y-D, Schwarz H, Macek B, Mann M, Kahmann R (2011) Metabolic priming by a secreted fungal effector. Nature 478(7369):395–398. https://doi.org/10.1038/nature10454
Popko J, Herrfurth C, Feussner K, Ischebeck T, Iven T, Haslam R, Hamilton M, Sayanova O, Napier J, Khozin-Goldberg I, Feussner I (2016) Metabolome analysis reveals betaine lipids as major source for triglyceride formation, and the accumulation of sedoheptulose during nitrogen-starvation of Phaeodactylum tricornutum. PLoS One 11(10):e0164673. https://doi.org/10.1371/journal.pone.0164673
Bayram Ö, Feussner K, Dumkow M, Herrfurth C, Feussner I, Braus GH (2016) Changes of global gene expression and secondary metabolite accumulation during light-dependent Aspergillus nidulans development. Fungal Genet Biol 87:30–53. https://doi.org/10.1016/j.fgb.2016.01.004
Sarikaya-Bayram Ö, Bayram Ö, Feussner K, Kim J-H, Kim H-S, Kaever A, Feussner I, Chae K-S, Han D-M, Han K-H, Braus GH (2014) Membrane-bound methyltransferase complex VapA-VipC-VapB guides epigenetic control of fungal development. Dev Cell 29(4):406–420. https://doi.org/10.1016/j.devcel.2014.03.020
Gerke J, Bayram Ö, Feussner K, Landesfeind M, Shelest E, Feussner I, Braus GH (2012) Breaking the silence: protein stabilization uncovers silenced biosynthetic gene clusters in the fungus Aspergillus nidulans. Appl Environ Microbiol 78(23):8234–8244. https://doi.org/10.1128/aem.01808-12
Stringlis IA, Yu K, Feussner K, de Jonge R, Van Bentum S, Van Verk MC, Berendsen RL, Bakker PAHM, Feussner I, Pieterse CMJ (2018) MYB72-dependent coumarin exudation shapes root microbiome assembly to promote plant health. Proc Natl Acad Sci U S A 115(22):E5213–E5222. https://doi.org/10.1073/pnas.1722335115
Kaever A, Landesfeind M, Feussner K, Mosblech A, Heilmann I, Morgenstern B, Feussner I, Meinicke P (2015) MarVis-Pathway: integrative and exploratory pathway analysis of non-targeted metabolomics data. Metabolomics 11(3):764–777. https://doi.org/10.1007/s11306-014-0734-y
Kaever A, Landesfeind M, Possienke M, Feussner K, Feussner I, Meinicke P (2012) MarVis-Filter: ranking, filtering, adduct and isotope correction of mass spectrometry data. J Biomed Biotechnol 2012:263910. https://doi.org/10.1155/2012/263910
Kaever A, Lingner T, Feussner K, Göbel C, Feussner I, Meinicke P (2009) MarVis: a tool for clustering and visualization of metabolic biomarkers. BMC Bioinformatics 10(1):92. https://doi.org/10.1186/1471-2105-10-92
Meinicke P, Lingner T, Kaever A, Feussner K, Göbel C, Feussner I, Karlovsky P, Morgenstern B (2008) Metabolite-based clustering and visualization of mass spectrometry data using one-dimensional self-organizing maps. Algorithms Mol Biol 3(1):9. https://doi.org/10.1186/1748-7188-3-9
Matyash V, Liebisch G, Kurzchalia TV, Shevchenko A, Schwudke D (2008) Lipid extraction by methyl-tert-butyl ether for high-throughput lipidomics. J Lipid Res 49(5):1137–1146. https://doi.org/10.1194/jlr.D700041-JLR200
Kaever A, Landesfeind M, Feussner K, Morgenstern B, Feussner I, Meinicke P (2014) Meta-analysis of pathway enrichment: combining independent and dependent omics data sets. PLoS One 9(2):e89297. https://doi.org/10.1371/journal.pone.0089297
Tanabe M, Kanehisa M (2012) Using the KEGG database resource. Curr Protoc Bioinformatics 38(1):1.12.11–11.12.43. https://doi.org/10.1002/0471250953.bi0112s38
Caspi R, Altman T, Dreher K, Fulcher CA, Subhraveti P, Keseler IM, Kothari A, Krummenacker M, Latendresse M, Mueller LA, Ong Q, Paley S, Pujar A, Shearer AG, Travers M, Weerasinghe D, Zhang P, Karp PD (2012) The MetaCyc database of metabolic pathways and enzymes and the BioCyc collection of pathway/genome databases. Nucleic Acids Res 40(Database issue):D742–D753. https://doi.org/10.1093/nar/gkr1014
Salek RM, Steinbeck C, Viant MR, Goodacre R, Dunn WB (2013) The role of reporting standards for metabolite annotation and identification in metabolomic studies. GigaScience 2(1):1–3. https://doi.org/10.1186/2047-217X-2-13
Strehmel N, Böttcher C, Schmidt S, Scheel D (2014) Profiling of secondary metabolites in root exudates of Arabidopsis thaliana. Phytochemistry 108:35–46. https://doi.org/10.1016/j.phytochem.2014.10.003
Horai H, Arita M, Kanaya S, Nihei Y, Ikeda T, Suwa K, Ojima Y, Tanaka K, Tanaka S, Aoshima K, Oda Y, Kakazu Y, Kusano M, Tohge T, Matsuda F, Sawada Y, Hirai MY, Nakanishi H, Ikeda K, Akimoto N, Maoka T, Takahashi H, Ara T, Sakurai N, Suzuki H, Shibata D, Neumann S, Iida T, Tanaka K, Funatsu K, Matsuura F, Soga T, Taguchi R, Saito K, Nishioka T (2010) MassBank: a public repository for sharing mass spectral data for life sciences. J Mass Spectrom 45(7):703–714. https://doi.org/10.1002/jms.1777
Acknowledgments
This work was supported by the German Federal Ministry of Education and Research (BioFung 0315595A) and the German Research Foundation (ZUK 45/2010). We are very grateful to Alexander Kaever and Manuel Landesfeind for collaborating with us on the development of the MarVis-Suite and improving the workflow of the metabolite fingerprinting approach. We thank Sabine Freitag and Pia Meyer for excellent assistance.
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Feussner, K., Feussner, I. (2019). Comprehensive LC-MS-Based Metabolite Fingerprinting Approach for Plant and Fungal-Derived Samples. In: D'Alessandro, A. (eds) High-Throughput Metabolomics. Methods in Molecular Biology, vol 1978. Humana, New York, NY. https://doi.org/10.1007/978-1-4939-9236-2_11
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DOI: https://doi.org/10.1007/978-1-4939-9236-2_11
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