title: Assessment of 1H NMR spectroscopy and multivariate analysis as a technique for metabolite fingerprinting of Arabidopsis thaliana.
abstract: An approach to metabolite fingerprinting of crude plant extracts that utilizes 1H nuclear magnetic resonance (NMR) spectroscopy and multivariate statistics has been tested. Using ecotypes of Arabidopsis thaliana as experimental material, a method has been developed for the rapid analysis of unfractionated polar plant extracts, enabling the creation of reproducible metabolite fingerprints. These fingerprints could be readily stored and compared by a variety of chemometric methods. Comparison by principal component analysis using SIMCA-P allowed the generation of residual NMR spectra of the compounds that contributed significantly to the differences between samples. From these plots, conclusions were drawn with respect to the identity and relative levels of metabolites differing between samples.
authors.affiliation: IACR-Long Ashton Research Station, Department of Agricultural Sciences, University of Bristol, Long Ashton, Bristol BS41 9AF, UK.
authors.forename: Jane L
authors.initials: JL
authors.lastname: Ward
authors.forename: Cassandra
authors.initials: C
authors.lastname: Harris
authors.forename: Jennie
authors.initials: J
authors.lastname: Lewis
authors.forename: Michael H
authors.initials: MH
authors.lastname: Beale
mesh_terms: D017360:Arabidopsis / Q000737:chemistry* / Q000378:metabolism*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D015999:Multivariate Analysis; D010936:Plant Extracts / Q000737:chemistry / Q000378:metabolism; D015203:Reproducibility of Results
chemical_list: D010936:Plant Extracts