Non-Invasive Method to Predict the Composition of Requeijao Cremoso Directly in Commercial Packages Using Time Domain NMR Relaxometry and Chemometrics

MOLECULES(2022)

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摘要
Low Field Time-Domain Nuclear Magnetic Resonance (TD-NMR) relaxometry was used to determine moisture, fat, and defatted dry matter contents in "requeijao cremoso" (RC) processed cheese directly in commercial packaged (plastic cups or tubes with approximately 200 g). Forty-five samples of commercial RC types (traditional, light, lactose-free, vegan, and fiber) were analyzed using longitudinal (T-1) and transverse (T-2) relaxation measurements in a wide bore Halbach magnet (0.23 T) with a 100 mm probe. The T-1 and T-2 analyses were performed using CWFP-T-1 (Continuous Wave Free Precession) and CPMG (Carr-Purcell-Meiboom-Gill) single shot pulses. The scores of the principal component analysis (PCA) of CWFP-T-1 and CPMG signals did not show clustering related to the RC types. Optimization by variable selection was carried out with ordered predictors selection (OPS), providing simpler and predictive partial least squares (PLS) calibration models. The best results were obtained with CWFP-T-1 data, with root-mean-square errors of prediction (RMSEP) of 1.38, 4.71, 3.28, and 3.00% for defatted dry mass, fat in the dry and wet matter, and moisture, respectively. Therefore, CWFP-T-1 data modeled with chemometrics can be a fast method to monitor the quality of RC directly in commercial packages.
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关键词
TD-NMR, requeijao cremoso, CPMG, CWFP-T-1, PLS, OPS
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