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Automated Processing and Statistical Analysis of NMR spectra obtained from Arabidopsis thaliana Extracts

View ORCID ProfileValtteri Mäkelä, View ORCID ProfileLauri Vaahtera, View ORCID ProfileJussi Helminen, View ORCID ProfileHarri Koskela, View ORCID ProfileMikael Brosché, View ORCID ProfileIlkka Kilpeläinen, Sami Heikkinen
doi: https://doi.org/10.1101/766295
Valtteri Mäkelä
aLaboratory of Organic Chemistry, Department of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 University of Helsinki, Finland
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  • For correspondence: valtteri.makela@iki.fi
Lauri Vaahtera
bDepartment of Biosciences, University of Helsinki, P.O. Box 65, FI-00014 Helsinki, Finland
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  • ORCID record for Lauri Vaahtera
Jussi Helminen
aLaboratory of Organic Chemistry, Department of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 University of Helsinki, Finland
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Harri Koskela
cVERIFIN, Finnish Institute for Verification of the Chemical Weapons Convention, Department of Chemistry, P.O. Box 55, FI-00014 University of Helsinki, Finland
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Mikael Brosché
bDepartment of Biosciences, University of Helsinki, P.O. Box 65, FI-00014 Helsinki, Finland
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Ilkka Kilpeläinen
aLaboratory of Organic Chemistry, Department of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 University of Helsinki, Finland
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Sami Heikkinen
aLaboratory of Organic Chemistry, Department of Chemistry, University of Helsinki, P.O. Box 55, FI-00014 University of Helsinki, Finland
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Abstract

To cope with vast amounts of data produced by metabolomic and mixture analysis using NMR, the employed analysis techniques and tools are very important. In this paper, we demonstrate quantitative 1H and 2D-JRES NMR analysis of Arabidopsis thaliana extracts utilizing our ImatraNMR and SimpeleNMR software to automate the processing the spectra, extracting data, and perform statistical analysis of the results. Metabolomes of four different strains of Arabidopsis thaliana are analyzed under control conditions and during acute ozone exposure. Key differences are identified between accessions Col-0 and Cvi-0 (epithionitriles, iberin nitrile) and ozone damage associated metabolite(s) can be identified. Sample stability is also addressed.

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Posted September 18, 2019.
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Automated Processing and Statistical Analysis of NMR spectra obtained from Arabidopsis thaliana Extracts
Valtteri Mäkelä, Lauri Vaahtera, Jussi Helminen, Harri Koskela, Mikael Brosché, Ilkka Kilpeläinen, Sami Heikkinen
bioRxiv 766295; doi: https://doi.org/10.1101/766295
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Automated Processing and Statistical Analysis of NMR spectra obtained from Arabidopsis thaliana Extracts
Valtteri Mäkelä, Lauri Vaahtera, Jussi Helminen, Harri Koskela, Mikael Brosché, Ilkka Kilpeläinen, Sami Heikkinen
bioRxiv 766295; doi: https://doi.org/10.1101/766295

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