title: Food adulteration analysis without laboratory prepared or determined reference food adulterant values.
abstract: Quantitative analysis of food adulterants is an important health and economic issue that needs to be fast and simple. Spectroscopy has significantly reduced analysis time. However, still needed are preparations of analyte calibration samples matrix matched to prediction samples which can be laborious and costly. Reported in this paper is the application of a newly developed pure component Tikhonov regularization (PCTR) process that does not require laboratory prepared or reference analysis methods, and hence, is a greener calibration method. The PCTR method requires an analyte pure component spectrum and non-analyte spectra. As a food analysis example, synchronous fluorescence spectra of extra virgin olive oil samples adulterated with sunflower oil is used. Results are shown to be better than those obtained using ridge regression with reference calibration samples. The flexibility of PCTR allows including reference samples and is generic for use with other instrumental methods and food products.
authors.affiliation: Department of Chemistry, Idaho State University, Pocatello, ID 83209, USA. Electronic address: kalijohn@isu.edu.
authors.forename: John H
authors.initials: JH
authors.lastname: Kalivas
authors.forename: Constantinos A
authors.initials: CA
authors.lastname: Georgiou
authors.forename: Marianna
authors.initials: M
authors.lastname: Moira
authors.forename: Ilias
authors.initials: I
authors.lastname: Tsafaras
authors.forename: Eleftherios A
authors.initials: EA
authors.lastname: Petrakis
authors.forename: George A
authors.initials: GA
authors.lastname: Mousdis
mesh_terms: D002138:Calibration; D005504:Food Analysis / Q000379:methods / Q000592:standards*; D005506:Food Contamination / Q000032:analysis*; D000069463:Olive Oil; D010938:Plant Oils / Q000032:analysis / Q000737:chemistry*; D012015:Reference Standards; D000074242:Sunflower Oil
chemical_list: D000069463:Olive Oil; D010938:Plant Oils; D000074242:Sunflower Oil
keywords: Extra virgin olive oil; Food adulteration; Food quality control; Green chemical analysis; Synchronous fluorescence spectroscopy; Tikhonov regularization