title: Rapid and non-invasive analysis of deoxynivalenol in durum and common wheat by Fourier-Transform Near Infrared (FT-NIR) spectroscopy.
abstract: Fourier transform near-infrared spectroscopy (FT-NIR) was used for rapid and non-invasive analysis of deoxynivalenol (DON) in durum and common wheat. The relevance of using ground wheat samples with a homogeneous particle size distribution to minimize measurement variations and avoid DON segregation among particles of different sizes was established. Calibration models for durum wheat, common wheat and durum + common wheat samples, with particle size <500 microm, were obtained by using partial least squares (PLS) regression with an external validation technique. Values of root mean square error of prediction (RMSEP, 306-379 microg kg(-1)) were comparable and not too far from values of root mean square error of cross-validation (RMSECV, 470-555 microg kg(-1)). Coefficients of determination (r(2)) indicated an "approximate to good" level of prediction of the DON content by FT-NIR spectroscopy in the PLS calibration models (r(2) = 0.71-0.83), and a "good" discrimination between low and high DON contents in the PLS validation models (r(2) = 0.58-0.63). A "limited to good" practical utility of the models was ascertained by range error ratio (RER) values higher than 6. A qualitative model, based on 197 calibration samples, was developed to discriminate between blank and naturally contaminated wheat samples by setting a cut-off at 300 microg kg(-1) DON to separate the two classes. The model correctly classified 69% of the 65 validation samples with most misclassified samples (16 of 20) showing DON contamination levels quite close to the cut-off level. These findings suggest that FT-NIR analysis is suitable for the determination of DON in unprocessed wheat at levels far below the maximum permitted limits set by the European Commission.
authors.affiliation: Institute of Sciences of Food Production, National Research Council, 70126 Bari, Italy. annalisa.degirolamo@ispa.cnr.it
authors.forename: A
authors.initials: A
authors.lastname: De Girolamo
authors.forename: V
authors.initials: V
authors.lastname: Lippolis
authors.forename: E
authors.initials: E
authors.lastname: Nordkvist
authors.forename: A
authors.initials: A
authors.lastname: Visconti
mesh_terms: D005506:Food Contamination / Q000032:analysis; D009183:Mycotoxins / Q000032:analysis*; D015203:Reproducibility of Results; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods; D014255:Trichothecenes / Q000032:analysis*; D014908:Triticum / Q000737:chemistry*
chemical_list: D009183:Mycotoxins; D014255:Trichothecenes; C007262:deoxynivalenol