title: Chemometric modelling based on 2D-fluorescence spectra without a calibration measurement.
abstract: BACKGROUND
  2D fluorescence spectra provide information from intracellular compounds. Fluorophores like trytophan, tyrosine and phenylalanin as well as NADH and flavins make the corresponding measurement systems very important for bioprocess supervision and control. The evaluation is usually based on chemometric modelling using for their calibration procedure off-line measurements of the desired process variables. Due to the data driven approach lots of off-line measurements are required. Here a methodology is presented, which enables to perform a calibration procedure of chemometric models without any further measurement.
  
  
  RESULTS
  The necessary information for the calibration procedure is provided by means of the a priori knowledge about the process, i.e. a mathematical model, whose model parameters are estimated during the calibration procedure, as well as the fact that the substrate should be consumed at the end of the process run. The new methodology for chemometric calibration is applied for a batch cultivation of aerobically grown S. cerevisiae on the glucose Schatzmann medium. As will be presented the chemometric models, which are determined by this method, can be used for prediction during new process runs.
  
  
  BACKGROUND
  The MATHLAB routine is free available on request from the authors.
authors.affiliation: Institut für Technische Chemie, University of Hannover, Callinstr. 3, 30559 Hannover, Germany.
authors.forename: D
authors.initials: D
authors.lastname: Solle
authors.forename: D
authors.initials: D
authors.lastname: Geissler
authors.forename: E
authors.initials: E
authors.lastname: Stärk
authors.forename: T
authors.initials: T
authors.lastname: Scheper
authors.forename: B
authors.initials: B
authors.lastname: Hitzmann
mesh_terms: D000465:Algorithms; D002138:Calibration; D003198:Computer Simulation; D000431:Ethanol / Q000737:chemistry / Q000378:metabolism; D005947:Glucose / Q000737:chemistry / Q000378:metabolism; D008954:Models, Biological; D008956:Models, Chemical; D011786:Quality Control; D015203:Reproducibility of Results; D012441:Saccharomyces cerevisiae / Q000737:chemistry / Q000254:growth & development / Q000378:metabolism / Q000502:physiology*; D012680:Sensitivity and Specificity; D013050:Spectrometry, Fluorescence / Q000295:instrumentation* / Q000379:methods*
chemical_list: D000431:Ethanol; D005947:Glucose