Determination of Calcium Content in Powdered Milk Using Near and Mid-Infrared Spectroscopy with Variable Selection and Chemometrics

Near infrared (NIR) and mid-infrared (MIR) spectroscopy techniques were evaluated to determine calcium content in powdered milk. A hybrid spectral variable selection algorithm combined with uninformation variable elimination (UVE) and successive projections algorithm (SPA) selected 11 NIR and 15 MIR variables from full 2,756 NIR and 3,727 MIR variables, respectively. Predicted results of least-squares support vector machine models for the samples in the prediction set show that the 15 MIR variables obtained much better results (0.930 for coefficient of determination (r2), 3.703 for residual predictive deviation (RPD), 30.162 for root mean square error of prediction set (RMSEP) and 5.22% for relative errors of prediction (RSEP)) than 11 NIR variables did (0.636 for r2, 1.587 for RPD, 78.815 for RMSEP, and 13.40% for RSEP). The overall results indicate that MIR spectroscopy could be applied as a precision and rapid method to determine calcium content in powdered milk. The good performance shows a potential application using UVE-SPA to select NIR and MIR effective variables.

[1]  L. Bokobza Near Infrared Spectroscopy , 1998 .

[2]  D. Wu,et al.  Infrared spectroscopy technique for the nondestructive measurement of fat content in milk powder. , 2007, Journal of dairy science.

[3]  Daniel Picque,et al.  The potential of combined infrared and fluorescence spectroscopies as a method of determination of the geographic origin of Emmental cheeses , 2005 .

[4]  Gerard Downey,et al.  Application of Near and Mid-Infrared Spectroscopy to Determine Cheese Quality and Authenticity , 2008 .

[5]  Di Wu,et al.  Determination of alpha-linolenic acid and linoleic acid in edible oils using near-infrared spectroscopy improved by wavelet transform and uninformative variable elimination. , 2009, Analytica chimica acta.

[6]  William J. Welch,et al.  Computer-aided design of experiments , 1981 .

[7]  Pengcheng Nie,et al.  Hybrid variable selection in visible and near-infrared spectral analysis for non-invasive quality determination of grape juice. , 2010, Analytica chimica acta.

[8]  Di Wu,et al.  Short-wave near-infrared spectroscopy analysis of major compounds in milk powder and wavelength assignment. , 2008, Analytica chimica acta.

[9]  Gerard Downey,et al.  Food and food ingredient authentication by mid-infrared spectroscopy and chemometrics , 1998 .

[10]  Linda M. Harvey,et al.  At-line monitoring of ammonium, glucose, methyl oleate and biomass in a complex antibiotic fermentation process using attenuated total reflectance-mid-infrared (ATR-MIR) spectroscopy , 2006 .

[11]  Dong Wang,et al.  Successive projections algorithm combined with uninformative variable elimination for spectral variable selection , 2008 .

[12]  D. Byler,et al.  Infrared Spectroscopic Evidence for Calcium Ion Interaction with Carboxylate Groups of Casein , 1989 .

[13]  Yong He,et al.  CLASSIFYING THE SPECIES OF EXOPALAEMON BY USING VISIBLE AND NEAR INFRARED SPECTRA WITH UNINFORMATIVE VARIABLE ELIMINATION AND SUCCESSIVE PROJECTIONS ALGORITHM: CLASSIFYING THE SPECIES OF EXOPALAEMON BY USING VISIBLE AND NEAR INFRARED SPECTRA WITH UNINFORMATIVE VARIABLE ELIMINATION AND SUCCESSIVE PRO , 2010 .

[14]  John H. Kalivas,et al.  Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry , 1989 .

[15]  Yong He,et al.  Application of image texture for the sorting of tea categories using multi-spectral imaging technique and support vector machine , 2008 .

[16]  Henri S. Tapp,et al.  Mid-infrared spectroscopy for food analysis: recent new applications and relevant developments in sample presentation methods , 1999 .

[17]  M. C. U. Araújo,et al.  The successive projections algorithm for variable selection in spectroscopic multicomponent analysis , 2001 .

[18]  Colm P. O'Donnell,et al.  Differentiation of apple juice samples on the basis of heat treatment and variety using chemometric analysis of MIR and NIR data , 2005 .

[19]  D. Massart,et al.  Elimination of uninformative variables for multivariate calibration. , 1996, Analytical chemistry.

[20]  Riccardo Leardi,et al.  Genetic Algorithms as a Tool for Wavelength Selection in Multivariate Calibration , 1995 .

[21]  Di Wu,et al.  Study on infrared spectroscopy technique for fast measurement of protein content in milk powder based on LS-SVM , 2008 .

[22]  M. Tanokura,et al.  Infrared spectroscopic study of the metal-coordination structures of calcium-binding proteins. , 2008, Biochemical and biophysical research communications.

[23]  P. Upreti,et al.  Utilization of fourier transform infrared spectroscopy for measurement of organic phosphorus and bound calcium in cheddar cheese. , 2006, Journal of dairy science.

[24]  Josse De Baerdemaeker,et al.  A review of the analytical methods coupled with chemometric tools for the determination of the quality and identity of dairy products , 2007 .

[25]  Gerard Downey,et al.  Rapid Non-destructive Detection of Spoilage of Intact Chicken Breast Muscle Using Near-infrared and Fourier Transform Mid-infrared Spectroscopy and Multivariate Statistics , 2009, Food and Bioprocess Technology.

[26]  L. A. Stone,et al.  Computer Aided Design of Experiments , 1969 .

[27]  D. Wu,et al.  Short-wave near-infrared spectroscopy of milk powder for brand identification and component analysis. , 2008, Journal of dairy science.

[28]  Shiuh-Jen Jiang,et al.  Determination of calcium, iron and zinc in milk powder by reaction cell inductively coupled plasma mass spectrometry , 2002 .

[29]  J. Roger,et al.  Application of LS-SVM to non-linear phenomena in NIR spectroscopy: development of a robust and portable sensor for acidity prediction in grapes , 2004 .

[30]  I. Ihara,et al.  Evaluation of Fatty Acid Profile of Wagyu Beef by ATR-FTIR Spectroscopy , 2010 .

[31]  J. D. Thomas,et al.  Ion-Selective Electrode Determination of Calcium and Potassium in Bovine Skim-Milk Powder , 1985 .

[32]  P. Williams,et al.  Near-Infrared Technology in the Agricultural and Food Industries , 1987 .

[33]  M. Berridge The interaction of cyclic nucleotides and calcium in the control of cellular activity. , 1975, Advances in cyclic nucleotide research.

[34]  Berridge Mj The interaction of cyclic nucleotides and calcium in the control of cellular activity. , 1975 .

[35]  A. Peirs,et al.  Nondestructive measurement of fruit and vegetable quality by means of NIR spectroscopy: A review , 2007 .

[36]  R. Poppi,et al.  Least-squares support vector machines and near infrared spectroscopy for quantification of common adulterants in powdered milk. , 2006, Analytica chimica acta.

[37]  M. Adediran Mesubi,et al.  An infrared study of zinc, cadmium, and lead salts of some fatty acids , 1982 .

[38]  V. Mazo‐Gray,et al.  Determination of potassium and calcium in milk powder by energy‐dispersive x‐ray fluorescence spectrometry , 1990 .