Fourier transform infrared (FT-IR) spectroscopy in bacteriology: towards a reference method for bacteria discrimination

Preisner, Ornella; Lopes, Joäo Almeida; Guiomar, Raquel; Machado, Jorge; Menezes, José C.
March 2007
Analytical & Bioanalytical Chemistry;Mar2007, Vol. 387 Issue 5, p1739
Academic Journal
Rapid and reliable discrimination among clinically relevant pathogenic organisms is a crucial task in microbiology. Microorganism resistance to antimicrobial agents increases prevalence of infections. The possibility of Fourier transform infrared (FT-IR) spectroscopy to assess the overall molecular composition of microbial cells in a non-destructive manner is reflected in the specific spectral fingerprints highly typical for different microorganisms. With the objective of using FT-IR spectroscopy for discrimination between diverse microbial species and strains on a routine basis, a wide range of chemometrics techniques need to be applied. Still a major issue in using FT-IR for successful bacteria characterization is the method for spectra pre-processing. We analyzed different spectra pre-processing methods and their impact on the reduction of spectral variability and on the increase of robustness of chemometrics models. Different types of the Enterococcus faecium bacterial strain were classified according to chromosomal DNA restriction patterns produced by pulsed-field gel electrophoresis (PFGE). Samples were collected from human patients. Collected FT-IR spectra were used to verify if the same classification was obtained. In order to further optimize bacteria classification we investigated whether a selected combination of the most discriminative spectral regions could improve results. Two different variable selection methods (genetic algorithms (GAs) and bootstrapping) were investigated and their relative merit for bacteria classification is reported by comparing with results obtained using the entire spectra. Discriminant partial least-squares (Di-PLS) models based on corrected spectra showed improved predictive ability up to 40% when compared to equivalent models using the entire spectral range. The uncertainty in estimating scores was reduced by about 50% when compared to models with all wavelengths. Spectral ranges with relevant chemical information for Enterococcus faecium bacteria discrimination were outlined.


Related Articles

  • FTIR spectroscopic discrimination of Saccharomyces cerevisiae and Saccharomyces bayanus strains. Adt, Isabelle; Kohler, Achim; Gognies, Sabine; Budin, Julien; Sandt, Christophe; Belarbi, Abdelkader; Manfait, Michel; Sockalingum, Ganesh D. // Canadian Journal of Microbiology;Sep2010, Vol. 56 Issue 9, p793 

    In this study, we tested the potential of Fourier-transform infrared absorption spectroscopy to screen, on the one hand, Saccharomyces cerevisiae and non-S. cerevisiae strains and, on the other hand, to discriminate between S. cerevisiae and Saccharomyces bayanus strains. Principal components...

  • A Comparison of BOX-PCR and Pulsed-Field Gel Electrophoresis to Determine Genetic Relatedness of Enterococci from Different Environments. Jackson, Charlene; Furtula, Vesna; Farrell, Erin; Barrett, John; Hiott, Lari; Chambers, Patricia // Microbial Ecology;Aug2012, Vol. 64 Issue 2, p378 

    Genetic relatedness of enterococci from poultry litter to enterococci from nearby surface water and groundwater in the Lower Fraser Valley regions of British Columbia, Canada was determined. A new automated BOX-PCR and Pulsed-Field Gel Electrophoresis (PFGE) were used to subtype enterococcal...

  • Optimizing FT-IR Sampling for a Method to Determine the Chemical Composition of Microbial Materials. Lowry, Steve // Spectroscopy;Jun2011, Vol. 26 Issue 6, p30 

    The article discusses the use of Fourier-transform infrared (FT-IR) spectroscopy to characterize the chemical composition of biological systems including single cells, tissues and bacteria. It describes several different infrared sampling techniques which can be used to analyze microbiological...

  • Pollen discrimination and classification by Fourier transform infrared (FT-IR) microspectroscopy and machine learning. Dell'Anna, R.; Lazzeri, P.; Frisanco, M.; Monti, F.; Campeggi, F. Malvezzi; Gottardini, E.; Bersani, M. // Analytical & Bioanalytical Chemistry;Jul2009, Vol. 394 Issue 5, p1443 

    The discrimination and classification of allergy-relevant pollen was studied for the first time by mid-infrared Fourier transform infrared (FT-IR) microspectroscopy together with unsupervised and supervised multivariate statistical methods. Pollen samples of 11 different taxa were collected,...

  • Infrared in the Real World -- How It Will Evolve in the New Millennium. Wilks, Paul; MacRae, Michael // Spectroscopy;Dec1999, Vol. 14 Issue 12, p12 

    Editorial. Traces the historical development of commercial infrared spectroscopy. Description of spectrometers; Advent of the Fourier transform-infrared spectrometer; Research on near-infrared portion of the spectrum.

  • Phase-, Time-, and Space-Resolved Step-Scan FT-IR Spectroscopy. Jiang, Eric Y. // Spectroscopy;Jan2002, Vol. 17 Issue 1, p22 

    Presents a study that reviewed the principles and major applications of step-scan Fourier transform-infrared (FT-IR) spectroscopy. Importance of step scan FT-IR; Categories of the applications of step scan FT-IR; Modulation experiments of step-scan phase-resolved spectroscopy.

  • Design and implementation of a rapid-mixer flow cell for time-resolved infrared microspectroscopy. Marinkovic, Nebojsa S.; Adzic, Aleksandar R.; Sullivan, Michael; Kovacs, Kevin; Miller, Lisa M.; Rousseau, Denis L.; Yeh, Syun-Ru; Syun-Ru Yeh; Chance, Mark R. // Review of Scientific Instruments;Nov2000, Vol. 71 Issue 11 

    A rapid mixer for the analysis of reactions in the millisecond and submillisecond time domains by Fourier-transform infrared microspectroscopy has been constructed. The cell was tested by examination of cytochrome-c folding kinetics. The device allows collection of full infrared spectral data on...

  • An infrared study of the symmetric P–F stretch of PF3 chemisorbed on the Pt(111) surface. Liang, Shoudeng; Trenary, Michael // Journal of Chemical Physics;9/1/1988, Vol. 89 Issue 5, p3323 

    We have used the technique of Fourier transform infrared reflection absorption spectroscopy (FT-IRAS) to characterize the symmetric P–F stretch of PF3 chemisorbed on the Pt(111) surface over the temperature range of 300–82 K. At 300 K and very low coverage we observe the P–F...

  • Fourier transform infrared spectroscopy of the ν3 band of cyclopropenylidene, C3H2. Hirahara, Yasuhiro; Masuda, Akimasa; Kawaguchi, Kentarou // Journal of Chemical Physics;9/15/1991, Vol. 95 Issue 6, p3975 

    The gas-phase absorption spectrum of the ν3 band of cyclopropenylidene (cyclic C3H2 ) has been observed with a high-resolution Fourier transform infrared spectrometer. The ring molecule was generated by a microwave discharge in an allene and Ar mixture. The spectrum observed between 1250 and...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics