• Feasibility Study on the Use of Visible–Near-Infrared Spectroscopy for the Screening of Individual and Total Glucosinolate Contents in Broccoli

      Hernandez-Hierro, Jose Miguel; Valverde, Juan; Villacreces, Salvador; Reilly, Kim; Gaffney, Michael; Gonzalez-Miret, Maria Lourdes; Heredia, Francisco Jose; Downey, Gerard; Spanish MICINN; Junta de Andalucia; JCI-2011-09201; AGL2011-30254-C02; AGR 6331 (American Chemical Society, 11/07/2012)
      The potential of visible–near-infrared spectroscopy to determine selected individual and total glucosinolates in broccoli has been evaluated. Modified partial least-squares regression was used to develop quantitative models to predict glucosinolate contents. Both the whole spectrum and different spectral regions were separately evaluated to develop the quantitative models; in all cases the best results were obtained using the near-infrared zone between 2000 and 2498 nm. These models have been externally validated for the screening of glucoraphanin, glucobrassicin, 4-methoxyglucobrassicin, neoglucobrassicin, and total glucosinolates contents. In addition, discriminant partial least-squares was used to distinguish between two possible broccoli cultivars and showed a high degree of accuracy. In the case of the qualitative analysis, best results were obtained using the whole spectrum (i.e., 400–2498 nm) with a correct classification rate of 100% in external validation being obtained.