title: Multivariate screening in food adulteration: untargeted versus targeted modelling.
abstract: Two multivariate screening strategies (untargeted and targeted modelling) have been developed to compare their ability to detect food fraud. As a case study, possible adulteration of hazelnut paste is considered. Two different adulterants were studied, almond paste and chickpea flour. The models were developed from near-infrared (NIR) data coupled with soft independent modelling of class analogy (SIMCA) as a classification technique. Regarding the untargeted strategy, only unadulterated samples were modelled, obtaining 96.3% of correct classification. The prediction of adulterated samples gave errors between 5.5% and 2%. Regarding targeted modelling, two classes were modelled: Class 1 (unadulterated samples) and Class 2 (almond adulterated samples). Samples adulterated with chickpea were predicted to prove its ability to deal with non-modelled adulterants. The results show that samples adulterated with almond were mainly classified in their own class (90.9%) and samples with chickpea were classified in Class 2 (67.3%) or not in any class (30.9%), but no one only as unadulterated.
authors.affiliation: Chemometrics, Qualimetrics and Nanosensors Group, Department of Analytical and Organic Chemistry, Rovira i Virgili University, Marcel·lí Domingo s/n, 43007 Tarragona, Spain.
authors.forename: M Isabel
authors.initials: MI
authors.lastname: López
authors.forename: Esther
authors.initials: E
authors.lastname: Trullols
authors.forename: M Pilar
authors.initials: MP
authors.lastname: Callao
authors.forename: Itziar
authors.initials: I
authors.lastname: Ruisánchez
mesh_terms: D029863:Cicer / Q000737:chemistry*; D031211:Corylus / Q000737:chemistry*; D005433:Flour / Q000032:analysis*; D005506:Food Contamination / Q000032:analysis*; D027861:Prunus / Q000737:chemistry*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
keywords: Adulteration; Food fraud; Hazelnut; Multivariate screening; SIMCA classification; Untargeted modelling