The detection of the dipicolinic acid biomarker in Bacillus spores using Curie-point pyrolysis mass spectrometry and Fourier-transform infrared spectroscopy

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@Article{goodacre:2000:ddabmbscppmsftis,
  author =       "Royston Goodacre and Beverley Shann and 
                 Richard J. Gilbert and Eadaoin M. Timmins and 
                 Aoife C. McGovern and Bjorn K. Alsberg and Douglas B. Kell and 
                 Niall A. Logan",
  title =        "The detection of the dipicolinic acid biomarker in
                 Bacillus spores using Curie-point pyrolysis mass
                 spectrometry and Fourier-transform infrared
                 spectroscopy",
  journal =      "Analytical Chemistry",
  year =         "2000",
  volume =       "72",
  number =       "1",
  pages =        "119--127",
  month =        "1 " # jan,
  publisher =    "American Chamical Society",
  keywords =     "genetic algorithms, genetic programming",
  URL =          "http://pubs.acs.org/cgi-bin/article.cgi/ancham/2000/72/i01/html/ac990661i.html",
  DOI =          "doi:10.1021/ac990661i",
  abstract =     "Thirty-six strains of aerobic endospore-forming
                 bacteria confirmed by polyphasic taxonomic methods to
                 belong to Bacillus amyloliquefaciens, Bacillus cereus,
                 Bacillus licheniformis, Bacillus megaterium, Bacillus
                 subtilis (including Bacillus niger and Bacillus
                 globigii), Bacillus sphaericus, and Brevi laterosporus
                 were grown axenically on nutrient agar, and vegetative
                 and sporulated biomasses were analyzed by Curie-point
                 pyrolysis mass spectrometry (PyMS) and diffuse
                 reflectance-absorbance Fourier-transform infrared
                 spectroscopy (FT-IR). Chemometric methods based on rule
                 induction and genetic programming were used to
                 determine the physiological state (vegetative cells or
                 spores) correctly, and these methods produced
                 mathematical rules which could be simply interpreted in
                 biochemical terms. For PyMS it was found that m/z 105
                 was characteristic and is a pyridine ketonium ion
                 (C6H3ON+) obtained from the pyrolysis of dipicolinic
                 acid (pyridine-2,6-dicarboxylic acid; DPA), a substance
                 found in spores but not in vegetative cells; this was
                 confirmed using pyrolysis-gas chromatography/mass
                 spectrometry. In addition, a pyridine ring vibration at
                 1447-1439 cm-1 from DPA was found to be highly
                 characteristic of spores in FT-IR analysis. Thus,
                 although the original data sets recorded hundreds of
                 spectral variables from whole cells simultaneously, a
                 simple biomarker can be used for the rapid and
                 unequivocal detection of spores of these organisms.",
  notes =        "

                 PMID: 10655643",
}

Genetic Programming entries for Royston Goodacre Beverley Shann Richard J Gilbert Eadaoin M Timmins Aoife C McGovern Bjorn K Alsberg Douglas B Kell Niall A Logan

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