Comparison of the usability of different spectral ranges within the near ultraviolet, visible and near infrared ranges (UV-VIS-NIR) region for the determination of the content of scab-damaged component in blended samples of ground wheat

Soft wheat grain samples of the same variety were obtained from a plot where the crop grew under natural conditions (control material) and from a plot where the crop was inoculated with Fusarium culmorum. The grain was ground and sieved with the finest fraction (a particle size less than 0.18mm) of both materials being used for the preparation of samples in which the content of damaged constituent varied from zero to approximately 84%. Diffuse reflectance spectra of the absorbance from the blended samples were recorded in the 200 - 2500nm spectral range and multivariate calibration PLS (Partial Least Squares) models were built within three spectral ranges: 200 - 2500, 200 - 1400 and 1400 - 2500 nm. Before modelling, several variants for spectra pre-processing were tried: multiple scatter correction, single and double differentiation, in all cases with and without centring. Single differentiation followed by centring was found to be the best method for spectra pre-processing in all spectral ranges. Very good calibration models were obtained for the whole and shorter wavelengths spectral ranges, allowing the detection of 1.50 and 0.76% of the content of scab-damaged constituent, respectively. Two-dimensional correlation spectroscopy applied to the set of spectra enabled the assignment of spectral bands and an analysis of changes in the chemical composition caused by scab damage. It was found that the content of protein and lipids increased with an increase of the scab-damaged constituent, whereas the content of moisture and starch decreased.