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Metabolic profiling by ultra-performance liquid chromatography-mass spectrometry and parallel factor analysis for the determination of disease biomarkers in Eucalyptus

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Abstract

In this article, we present and discuss an alternative for data analysis of the metabolic profiles of both healthy Eucalyptus globulus and those infected with the Mycosphaerella leaf disease. The crude extracts were analyzed by reversed-phase ultra performance liquid chromatography-mass spectrometry. In order to glean the most useful information from these complex measurements, parallel factor analysis (PARAFAC) was employed for pattern recognition. After PARAFAC modeling, inspection of the scores and loadings graph allowed distinction of the healthy from the infected E. globulus samples and determination of biomarkers related to the biotic stress. The assessment of the monoisotopic masses and the fragmentation patterns allowed the identification of these biomarkers. It is hoped that the proposed method can be used for the diagnosis of diseases in plants, as well as to provide additional insight into the plant’s defense mechanism. Potentially, this may demonstrate the advantages of employing high order chemometric techniques in metabolomic data analysis.

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Acknowledgments

The authors thank Ms. Rita de Cássia Zacardi de Souza for assisting with the chromatographic analysis. This work was funded by FAPESP (São Paulo Research Foundation) and CNPq (Brazilian National Council for Research and Technological Development) through the National Institute of Science and Technology Program (INCT). Augusto and Hantao thank FAPESP for the research funding (2011/51896-9) and doctorial grant (2011/50390-4), respectively. Ribeiro and Passador thank CAPES (Brazilian Ministry of Education Agency for Improvement of Graduate Personnel) and CNPq, respectively, for the postdoctoral grants. Fibria is acknowledged for supplying the samples.

Conflict of interest

The authors have declared no conflict of interest.

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Authors and Affiliations

  1. Institute of Chemistry, University of Campinas, Cidade Universitária Zeferino Vaz, CP 6154, Campinas, SP, 13083-970, Brazil

    Leandro Wang Hantao, Fabiana Alves de Lima Ribeiro, Ronei Jesus Poppi, Fabio Cesar Gozzo & Fabio Augusto

  2. National Institute of Science and Technology in Bioanalytics (INCTBio), University of Campinas, Campinas, Brazil

    Leandro Wang Hantao, Fabiana Alves de Lima Ribeiro, Ronei Jesus Poppi, Fabio Cesar Gozzo & Fabio Augusto

  3. Faculty of Agronomic Sciences, State University Julio Mesquita Filho (UNESP), São José do Rio Preto, Brazil

    Martha Maria Passador & Edson Luiz Furtado

Authors
  1. Leandro Wang Hantao
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  2. Fabiana Alves de Lima Ribeiro
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  3. Martha Maria Passador
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  4. Edson Luiz Furtado
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  5. Ronei Jesus Poppi
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  6. Fabio Cesar Gozzo
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  7. Fabio Augusto
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Correspondence to Fabio Augusto.

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Hantao, L.W., de Lima Ribeiro, F.A., Passador, M.M. et al. Metabolic profiling by ultra-performance liquid chromatography-mass spectrometry and parallel factor analysis for the determination of disease biomarkers in Eucalyptus . Metabolomics 10, 1318–1325 (2014). https://doi.org/10.1007/s11306-014-0666-6

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  • DOI: https://doi.org/10.1007/s11306-014-0666-6

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