A comparison of multivariate analysis techniques and variable selection strategies in a laser-induced breakdown spectroscopy bacterial classification

article i nfo Laser-induced breakdown spectroscopy has been used to obtain spectral fingerprints from live bacterial spec- imens from thirteen distinct taxonomic bacterial classes representative of five bacterial genera. By taking sums, ratios, and complex ratios of measured atomic emission line intensities three unique sets of indepen- dent variables (models) were constructed to determine which choice of independent variables provided op- timal genus-level classification of unknown specimens utilizing a discriminant function analysis. A model composed of 80 independent variables constructed from simple and complex ratios of the measured emission line intensities was found to provide the greatest sensitivity and specificity. This model was then used in a partial least squares discriminant analysis to compare the performance of this multivariate technique with a discriminant function analysis. The partial least squares discriminant analysis possessed a higher true positive rate, possessed a higher false positive rate, and was more effective at distinguishing between highly similar spectra from closely related bacterial genera. This suggests it may be the preferred multivariate tech- nique in future species-level or strain-level classifications.

[1]  Alan C Samuels,et al.  Laser-induced breakdown spectroscopy of bacterial spores, molds, pollens, and protein: initial studies of discrimination potential. , 2003, Applied optics.

[2]  Jan Hannig,et al.  Support vector machine classification of suspect powders using laser‐induced breakdown spectroscopy (LIBS) spectral data , 2012 .

[3]  Frank C De Lucia,et al.  Multivariate analysis of standoff laser-induced breakdown spectroscopy spectra for classification of explosive-containing residues. , 2008, Applied optics.

[4]  The Investigation of Laser-Induced Breakdown Spectroscopy for Detection of Biological Contaminants on Surfaces , 2007 .

[5]  Frank C. De Lucia,et al.  Influence of variable selection on partial least squares discriminant analysis models for explosive residue classification , 2011 .

[6]  t. baumert.  Femtosecond laser-induced-breakdown spectrometry for Ca 2 + analysis of biological samples with high spatial resolution , 2003 .

[7]  J. O. Cáceres,et al.  Identification and discrimination of bacterial strains by laser induced breakdown spectroscopy and neural networks. , 2011, Talanta.

[8]  Frank C. De Lucia,et al.  Discrimination of explosive residues on organic and inorganic substrates using laser-induced breakdown spectroscopy , 2009 .

[9]  Philippe Adam,et al.  Detection of bacteria by time-resolved laser-induced breakdown spectroscopy. , 2003, Applied optics.

[10]  S. J. Rehse,et al.  Pathogen identification with laser-induced breakdown spectroscopy: the effect of bacterial and biofluid specimen contamination. , 2012, Applied optics.

[11]  Chase A. Munson,et al.  Laser-induced breakdown spectroscopy for detection of explosives residues: a review of recent advances, challenges, and future prospects , 2009, Analytical and bioanalytical chemistry.

[12]  Lewis Johnson,et al.  Development of a LIBS assay for the detection of Salmonella enterica serovar Typhimurium from food , 2011, Analytical and bioanalytical chemistry.

[13]  S. J. Rehse,et al.  A membrane basis for bacterial identification and discrimination using laser-induced breakdown spectroscopy , 2009 .

[14]  Rolph E. Anderson,et al.  Multivariate Data Analysis (7th ed. , 2009 .

[15]  S. Buckley,et al.  Laser-Induced Breakdown Spectroscopy Detection and Classification of Biological Aerosols , 2003, Applied spectroscopy.

[16]  A. Assion,et al.  Femtosecond laser-induced-breakdown spectrometry for Ca2+ analysis of biological samples with high spatial resolution , 2003 .

[17]  M. Barker,et al.  Partial least squares for discrimination , 2003 .

[18]  A. Miziolek,et al.  Standoff Detection of Chemical and Biological Threats Using Laser-Induced Breakdown Spectroscopy , 2008, Applied spectroscopy.

[19]  D. Cremers,et al.  Use of laser-induced breakdown spectroscopy for the differentiation of pathogens and viruses on substrates. , 2012, Applied optics.

[20]  S. J. Rehse,et al.  Identification and discrimination of Pseudomonas aeruginosa bacteria grown in blood and bile by laser-induced breakdown spectroscopy , 2007 .

[21]  S. J. Rehse,et al.  Towards the clinical application of laser-induced breakdown spectroscopy for rapid pathogen diagnosis: the effect of mixed cultures and sample dilution on bacterial identification , 2010 .

[22]  S. J. Rehse,et al.  The Effect of Bacterial Environmental and Metabolic Stresses on a Laser-Induced Breakdown Spectroscopy (LIBS) Based Identification of Escherichia Coli and Streptococcus Viridans , 2011, Applied spectroscopy.

[23]  Lewis Johnson,et al.  Discrimination of bacteria from Jamaican bauxite soils using laser-induced breakdown spectroscopy , 2011, Analytical and bioanalytical chemistry.