FTIR-ATR Spectroscopy Combined with Multivariate Regression Modeling as a Preliminary Approach for Carotenoids Determination in <i>Cucurbita</i> spp.

Abstract

Quantitative analysis of carotenoids has been extensively reported using UV-Vis spectrophotometry and chromatography, instrumental techniques that require complex extraction protocols with organic solvents. Fourier transform infrared spectroscopy (FTIR) is a potential alternative for simplifying the analysis of food constituents. In this work, the application of FTIR with attenuated total reflectance (ATR) was evaluated for the determination of total carotenoid content (TCC) in Cucurbita spp. samples. Sixty-three samples, belonging to different cultivars of butternut squash (C. moschata) and pumpkin (C. maxima), were selected and analyzed with FTIR- ATR (attenuated total reflectance). Three different preparation protocols for samples were followed: homogenization (A), freeze-drying (B), and solvent extraction (C). The recorded spectra were used to develop regression models by Partial Least Squares (PLS), using data from TCC, determined by UV-Vis spectrophotometry. The PLS regression model obtained with the FTIR data from the freeze-dried samples, using the spectral range 920–3000 cm−1, had the best figures of merit (R2CAL of 0.95, R2PRED of 0.93 and RPD of 3.78), being reliable for future application in agriculture. This approach for carotenoid determination in pumpkin and squash avoids the use of organic solvents. Moreover, these results are a rationale for further exploring this technique for the assessment of specific carotenoids in food matrices.

Keywords

• butternut squash
• pumpkin
• carotenoids
• FTIR-ATR
• chemometrics
• PLS