title: Development of a Direct Spectrophotometric and Chemometric Method for Determining Food Dye Concentrations.
abstract: An ultraviolet visible (UV-Vis) spectrophotometric and partial least squares (PLS) chemometric method was developed for the simultaneous determination of erythrosine B (red), Brilliant Blue, and tartrazine (yellow) dyes. A training set (n = 64) was generated using a full factorial design and its accuracy was tested in a test set (n = 13) using a Box-Behnken design. The test set garnered a root mean square error (RMSE) of 1.79 × 10-7for blue, 4.59 × 10-7for red, and 1.13 × 10-6for yellow dyes. The relatively small RMSE suggests only a small difference between predicted versus measured concentrations, demonstrating the accuracy of our model. The relative error of prediction (REP) for the test set were 11.73%, 19.52%, 19.38%, for blue, red, and yellow dyes, respectively. A comparable overlay between the actual candy samples and their replicated synthetic spectra were also obtained indicating the model as a potentially accurate method for determining concentrations of dyes in food samples.
authors.affiliation: 1 Graduate Program in Biomedical Sciences, University of Oklahoma Health Sciences Center, Oklahoma City, OK, USA.
authors.forename: Erin
authors.initials: E
authors.lastname: Arroz
authors.affiliation: 2 Hurley College of Science, Oklahoma Baptist University, Shawnee, OK, USA.
authors.forename: Michael
authors.initials: M
authors.lastname: Jordan
authors.affiliation: 3 Department of Mathematics and Physical Sciences, Louisiana State University-Alexandria, Alexandria, LA, USA.
authors.forename: Gerard G
authors.initials: GG
authors.lastname: Dumancas
mesh_terms: D001557:Benzenesulfonates / Q000032:analysis; D004923:Erythrosine / Q000032:analysis; D005505:Food Coloring Agents / Q000032:analysis*; D016018:Least-Squares Analysis; D016014:Linear Models; D015203:Reproducibility of Results; D013056:Spectrophotometry, Ultraviolet / Q000379:methods*; D013645:Tartrazine / Q000032:analysis
chemical_list: D001557:Benzenesulfonates; D005505:Food Coloring Agents; C006796:brilliant blue; D013645:Tartrazine; D004923:Erythrosine
keywords: Brilliant Blue; PLS; Tartrazine; chemometrics; erythrosine B; food dye; partial least squares