The organic chemistry of plant residues: Comparison of NMR and pyrolysis data using multivariate statistical approaches

E.L. Plant, R.J. Smernik, Paul Greenwood, L.M. Macdonald, J.A. Van Leeuwen

    Research output: Contribution to journalArticle

    3 Citations (Scopus)

    Abstract

    To effectively characterise and distinguish between different organic matter samples, multiple chemical characterisation techniques are often employed. Due to the structural complexity of organic matter and the unique information provided by different characterisation techniques, it is often difficult to compare and combine data obtained from different analytical methods. In this study, we show how non-parametric multivariate statistical approaches can be used to compare the relative pattern of similarity/dissimilarity between organic samples characterised by two common solid-state analytical techniques: 13C nuclear magnetic resonance (NMR) spectroscopy and flash pyrolysis-gas chromatography mass spectrometry (py-GCMS). These analytical methods were used to characterise a suite of plant residues including the leaf, flower, bark and wood of several species. Using non-parametric multivariate statistical approaches we identified similarities between the plant residue data using ordination plots, which enabled us to identify where NMR and py-GCMS distinguished between residues differently. A mantel-type test called RELATE showed that there was significant (P
    Original languageEnglish
    Pages (from-to)3006-3012
    JournalCurrent Organic Chemistry
    Volume17
    Issue number24
    DOIs
    Publication statusPublished - 2013

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