scholarly journals Application of Multivariable Analysis and FTIR-ATR Spectroscopy to the Prediction of Properties in Campeche Honey

2016 ◽  
Vol 2016 ◽  
pp. 1-14 ◽  
Author(s):  
Francisco Anguebes ◽  
Lucio Pat ◽  
Bassam Ali ◽  
Armando Guerrero ◽  
Atl V. Córdova ◽  
...  
Keyword(s):  
Cross Validation ◽  
External Validation ◽  
Coefficient Of Determination ◽  
Attenuated Total Reflectance ◽  
Infrared Spectrometry ◽  
Free Acidity ◽  
Fourier Transform Infrared Spectrometry ◽  
Total Reflectance ◽  
Calibration Models

Attenuated total reflectance-Fourier transform infrared spectrometry and chemometrics model was used for determination of physicochemical properties (pH, redox potential, free acidity, electrical conductivity, moisture, total soluble solids (TSS), ash, and HMF) in honey samples. The reference values of 189 honey samples of different botanical origin were determined using Association Official Analytical Chemists, (AOAC), 1990; Codex Alimentarius, 2001, International Honey Commission, 2002, methods. Multivariate calibration models were built using partial least squares (PLS) for the measurands studied. The developed models were validated using cross-validation and external validation; several statistical parameters were obtained to determine the robustness of the calibration models: (PCs) optimum number of components principal, (SECV) standard error of cross-validation, (R2cal) coefficient of determination of cross-validation, (SEP) standard error of validation, and (R2val) coefficient of determination for external validation and coefficient of variation (CV). The prediction accuracy for pH, redox potential, electrical conductivity, moisture, TSS, and ash was good, while for free acidity and HMF it was poor. The results demonstrate that attenuated total reflectance-Fourier transform infrared spectrometry is a valuable, rapid, and nondestructive tool for the quantification of physicochemical properties of honey.

scholarly journals Development of Attenuated Total Reflectance Mid-Infrared (ATR-MIR) and Near-Infrared (NIR) Spectroscopy for the Determination of Resistant Starch Content in Wheat Grains

2021 ◽  
Vol 2021 ◽  
pp. 1-9
Author(s):  
Rong Wang ◽  
Xia Wei ◽  
Hongpan Wang ◽  
Linshu Zhao ◽  
Cengli Zeng ◽  
...  
Keyword(s):  
Resistant Starch ◽  
Near Infrared ◽  
Coefficient Of Determination ◽  
Attenuated Total Reflectance ◽  
Calibration Model ◽  
Mid Infrared ◽  
Total Reflectance ◽  
Mir Spectroscopy ◽  
Calibration Models

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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