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Biomed Opt Express. 2013 Apr 1;4(4):481-9. doi: 10.1364/BOE.4.000481. Epub 2013 Mar 1.

Sensitive and specific discrimination of pathogenic and nonpathogenic Escherichia coli using Raman spectroscopy-a comparison of two multivariate analysis techniques.

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Department of Physics and Astronomy, Wayne State University, Detroit, MI 48201, USA ; Now with Department of Basic Science, Al-Huson University College, Al-Balqa Applied University, Irbid, Jordan.


The determination of bacterial identity at the strain level is still a complex and time-consuming endeavor. In this study, visible wavelength spontaneous Raman spectroscopy has been used for the discrimination of four closely related Escherichia coli strains: pathogenic enterohemorrhagic E. coli O157:H7 and non-pathogenic E. coli C, E. coli Hfr K-12, and E. coli HF4714. Raman spectra from 600 to 2000 cm(-1) were analyzed with two multivariate chemometric techniques, principal component-discriminant function analysis and partial least squares-discriminant analysis, to determine optimal parameters for the discrimination of pathogenic E. coli from the non-pathogenic strains. Spectral preprocessing techniques such as smoothing with windows of various sizes and differentiation were investigated. The sensitivity and specificity of both techniques was in excess of 95%, determined by external testing of the chemometric models. This study suggests that spontaneous Raman spectroscopy with visible wavelength excitation is potentially useful for the rapid identification and classification of clinically-relevant bacteria at the strain level.


(170.0170) Medical optics and biotechnology; (170.1420) Biology; (170.1530) Cell analysis; (170.1580) Chemometrics; (170.5660) Raman spectroscopy; (300.6450) Spectroscopy, Raman

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