Fuzzy characterization and classification of bacteria species detected at single-cell level by surface-enhanced Raman scattering

Abstract

Advanced chemometric methods, such as fuzzy c-means, a semi-supervised clustering method, and fuzzy linear discriminant analysis (FLDA), a new robust supervised classification method in combination with principal component analysis (PCA), namely PCA-FLDA, have been successfully applied for characterization and classification of bacterial species detected at single-cell level by surface-enhanced Raman scattering (SERS) spectroscopy. SERS spectra of three species (S. aureus, E. faecalis and P. aeruginosa) were recorded in an original fashion, using in situ laser induced silver spot as metallic substrate. The detection process of bacteria was isolated inside a hermetically sealed in-house built microfluidic device, connected to a syringe pump for injecting the analytes and a portable Raman spectrometer as detection tool. The obtained results (fuzzy partitions) and spectra of the prototypes (robust fuzzy spectra mean corresponding to each fuzzy partition) clearly demonstrated the efficiency and information power of the advanced fuzzy methods in bacteria characterization and classification based on SERS spectra, and allowed a rationale assigning to a specific group. Also, this powerful detection and classification methodology generates the premises for future investigations of Raman and other spectroscopic data obtained for various samples.

Keywords: Data analysis; Fuzzy clustering and classification; SERS on bacteria; Single-cell SERS spectra.