Evaluation of near-infrared (NIR) and Fourier transform mid-infrared (ATR-FT/MIR) spectroscopy techniques combined with chemometrics for the determination of crude protein and intestinal protein digestibility of wheat

2019 ◽  
Vol 272 ◽  
pp. 507-513 ◽  
Author(s):  
Haitao Shi ◽  
Yaogeng Lei ◽  
Luciana Louzada Prates ◽  
Peiqiang Yu
2020 ◽  
Vol 2020 ◽  
pp. 1-7
Author(s):  
Marcela González-Vázquez ◽  
Ofelia Gabriela Meza-Márquez ◽  
Tzayhri Gallardo-Velázquez ◽  
Guillermo Osorio-Revilla ◽  
José Luis Velázquez Hernández ◽  
...  

Energy drinks have been studied due to their damaging side effects on the health of their consumers when consumed in excess or when combined with alcohol. Our objective was to develop chemometric models, based on Fourier-transform mid-infrared (FT-MIR) spectroscopy, to quantify the taurine and caffeine content in energy drinks rapidly and simultaneously. The taurine and caffeine content in the 50 samples ranged between 0 and 69.51 mg/100 mL and 14.92 and 1126.17 mg/100 mL, respectively. The best prediction model was obtained with the partial least squares (PLS1) algorithm; for taurine, the following values were obtained: determination coefficient of calibration (Rc2) = 0.9999, standard error of calibration (SEC) = 0.15, determination coefficient of validation (Rv2) = 0.9997, and standard error of prediction (SEP) = 0.16; for caffeine, Rc2 = 0.9999, SEC = 0.26, Rv2 = 0.9999, and SEP = 0.32. The model developed with PLS1 showed certainty in predictions during the validation stage and during application to external samples. FT-MIR coupled to chemometrics is a reliable and fast technique (compared to conventional techniques) to quantify taurine and caffeine in energy drinks simultaneously.


2020 ◽  
Vol 306 ◽  
pp. 125509 ◽  
Author(s):  
Bruna Carbas ◽  
Nelson Machado ◽  
David Oppolzer ◽  
Luis Ferreira ◽  
Carla Brites ◽  
...  

2021 ◽  
Vol 2021 ◽  
pp. 1-9
Author(s):  
Rong Wang ◽  
Xia Wei ◽  
Hongpan Wang ◽  
Linshu Zhao ◽  
Cengli Zeng ◽  
...  

The chemical method for the determination of the resistant starch (RS) content in grains is time-consuming and labor intensive. Near-infrared (NIR) and attenuated total reflectance mid-infrared (ATR-MIR) spectroscopy are rapid and nondestructive analytical techniques for determining grain quality. This study was the first report to establish and compare these two spectroscopic techniques for determining the RS content in wheat grains. Calibration models with four preprocessing techniques based on the partial least squares (PLS) algorithm were built. In the NIR technique, the mean normalization + Savitzky–Golay smoothing (MN + SGS) preprocessing technique had a higher coefficient of determination ( R c 2  = 0.672; R p 2  = 0.552) and a relative lower root mean square error value (RMSEC = 0.385; RMSEP = 0.459). In the ATR-MIR technique, the baseline preprocessing method exhibited a better performance regarding to the values of coefficient of determination ( R c 2  = 0.927; R p 2  = 0.828) and mean square error value (RMSEC = 0.153; RMSEP = 0.284). The validation of the developed best NIR and ATR-MIR calibration models showed that the ATR-MIR best calibration model has a better RS prediction ability than the NIR best calibration model. Two high grain RS content wheat mutants were screened out by the ATR-MIR best calibration model from the wheat mutant library. There was no significant difference between the predicted values and chemical measured values in the two high RS content mutants. It proved that the ATR-MIR model can be a perfect substitute in RS measuring. All the results indicated that the ATR-MIR spectroscopy with improved screening efficiency can be used as a fast, rapid, and nondestructive method in high grain RS content wheat breeding.


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