title: Methods for extracting biochemical information from bacterial Raman spectra: an explorative study on Cupriavidus metallidurans.
abstract: In this study, we explore Raman spectra of bacteria for their biochemical information. Therefore, a database of biomolecules was used and several approaches were applied such as the study of difference spectra, the calculation dot products, the usage of coefficients obtained from an EMSC procedure and the application of 2D correlation spectroscopy. These methods were applied on a dataset containing Raman spectra of Cupriavidus metallidurans LMG 1195 in five stages of its growth, aiming to extract information about the evolution of cell components during growth. EMSC coefficients seemed to be most promising for tracking metabolic products and the results were often confirmed by difference spectra or by 2D correlation spectroscopy.
authors: Ghent University, Laboratory of Analytical Chemistry, Proeftuinstraat 86, B-9000 Ghent, Belgium.
authors: Joke
authors: J
authors: De Gelder
authors: Kris
authors: K
authors: De Gussem
authors: Peter
authors: P
authors: Vandenabeele
authors: Paul
authors: P
authors: De Vos
authors: Luc
authors: L
authors: Moens
mesh_terms: D000105:Acetyl Coenzyme A / Q000737:chemistry; D001419:Bacteria / Q000378:metabolism*; D002623:Chemistry Techniques, Analytical / Q000379:methods*; D019343:Citric Acid / Q000737:chemistry; D002952:Citric Acid Cycle; D049921:Cupriavidus / Q000378:metabolism*; D008956:Models, Chemical; D010649:Phenylalanine / Q000737:chemistry; D013059:Spectrum Analysis, Raman / Q000379:methods*; D014443:Tyrosine / Q000737:chemistry
chemical_list: D019343:Citric Acid; D014443:Tyrosine; D010649:Phenylalanine; D000105:Acetyl Coenzyme A