Issue title: Second International Conference on Biomedical Spectroscopy: From the Bench to the Clinic, London, UK, 5–8 July, 2003
Article type: Research Article
Authors: Bailey, Nigel J.C.; | Oven, Matjaz; | Holmes, Elaine | Zenk, Meinhart H. | Nicholson, Jeremy K.
Affiliations: SCYNEXIS Europe Ltd. Fyfield Business and Research Park, Fyfield Road, Ongar, Essex CM5 0GS, United Kingdom | Leibniz Institut für Pflanzenbiochemie, Abt. Naturstoffbiotechnologie, Weinberg 3, 06120 Halle/Saale, Germany | Biological Chemistry, Biomedical Sciences Division, Imperial College of Science, Technology and Medicine, University of London, Sir Alexander Fleming Building, South Kensington, London, SW7 2AZ, United Kingdom | Biozentrum‐Pharmazie, Universität Halle, Weinbergweg 22, 06120 Halle/Saale, Germany
Note: [] Corresponding author. Tel.: +44 (0) 1277 367036; Fax: +44 (0) 1277 367099; E‐mail: nigel.bailey@scynexis.com.
Note: [] New affiliation: School of Biological Sciences, Royal Holloway, University of London, Egham, Surrey, TW20 0EX, United Kingdom.
Abstract: High field 1H NMR spectroscopy has been employed to obtain, in conjunction with chemometric analysis, information regarding fluctuations in endogenous metabolic profiles for Crotalaria cobalticola plant cells following exposure to cobalt chloride. Such ‘metabolomic’ type data analysis is often confounded by experimental, environmental or genetic factors that are not correlated to the classifications of interest and serve only to complicate the extraction of meaningful answers from a dataset. This work demonstrates the application of data filtering to remove extraneous data that result from spectrometer variation rather than being correlated with the classes of interest. Samples were analysed from Crotalaria cobalticola suspension cell culture following exposure to cobalt chloride using 2 spectrometers. Removal of confounding data due to spectrometer variation resulted in clear separation between control and dosed classes. It was then possible to use the model to determine key changes in biochemical status caused as a result of exposure to cobalt. Branched chain amino acids, succinate and secondary metabolite precursors phenylalanine and tyrosine were all higher in the control samples, whilst choline, glutamate, alanine and lactate were higher in the dosed samples.
Keywords: Cobalt, Crotalaria cobalticola, data filtering, [TeX:] $^{1}$H NMR spectroscopy, orthogonal signal correction, pattern recognition, metabolomics, toxicity
Journal: Spectroscopy, vol. 18, no. 2, pp. 279-287, 2004
