Use of a multivariate moving window PCA for the untargeted detection of contaminants in agro-food products, as exemplified by the detection of melamine levels in milk using vibrational spectroscopy.
Fernandez Pierna, Juan A; Vincke, Damien; Baeten, Vincentet al.
2016 • In Chemometrics and Intelligent Laboratory Systems
Dardenne, Pierre; Centre Wallon de Recherches Agronomiques
Language :
English
Title :
Use of a multivariate moving window PCA for the untargeted detection of contaminants in agro-food products, as exemplified by the detection of melamine levels in milk using vibrational spectroscopy.
Tauler R. Interpretation of environmental data using chemometrics. Sample Handling and Trace Analysis of Pollutants - Techniques, Applications and Quality Assurance 2000, Elsevier, Amsterdam, The Netherlands. D. Barceló (Ed.).
Broomhead D.S., King G.P. Extracting qualitative dynamics from experimental data. Physica 1986, D20:217-236.
Golyandina N., Nekrutkin V., Zhigljavsky A. Analysis of Time Series Structure: SSA and Related Techniques 2001, Chapman & Hall/CRC.
Xie S., Krishnan S. Dynamic principal component analysis with nonoverlapping moving window and its applications to epileptic EEG classification. Sci. World J. 2014, 2014.
Hassani H. Singular spectrum analysis: methodology and comparison. J. Data Sci. 2007, 5:239-257.
Šašić S., Katsumoto Y., Sato H., Ozaki Y. Applications of moving window two-dimensional correlation spectroscopy to analysis of phase transitions and spectra classification. Anal. Chem. 2003, 75(16):4010-4018.
Shinzawa H., Morita S., Noda I., Ozakia Y. Effect of the window size in moving-window two-dimensional correlation analysis. J. Mol. Struct. 2006, 799(1-3):28-33.
Chu X.L., Xu Y.P., Tian S.B., Wang J., Lu W.Z. Rapid identification and assay of crude oils based on moving-window correlation coefficient and near infrared spectral library. Chemom. Intell. Lab. Syst. 2011, 107:44-49.
Liu X., Kruger U., Littler T., Xie L., Wang S. Moving window kernel PCA for adaptive monitoring of nonlinear processes. Chemom. Intell. Lab. Syst. 2009, 96(2):132-143.
Jeng J.C. Adaptive process monitoring using efficient recursive PCA and moving window PCA algorithms. J. Taiwan Inst. Chem. Eng. 2010, 41(4):475-481.
Ryu S.R., Noda I., Jung Y.M. Moving window principal component analysis for detecting positional fluctuation of spectral changes. Bull. Kor. Chem. Soc. 2011, 32(7):2332-2338.
Jiang J.H., Berry R.J., Siesler H.W., Ozaki Y. Wavelength interval selection in multicomponent spectral analysis by moving window partial least-squares regression with applications to mid-infrared and near-infrared spectroscopic data. Anal. Chem. 2002, 74:3555-3565.
Lu B., Castillo I., Chiang L., Edgar T.E. Industrial PLS model variable selection using window variable importance in projection. Chemom. Intell. Lab. Syst. 2014, 135:90-109.
McLean J.A. Targeting the untargeted. Anal. Sci. 2014, 17:17-18.
Baeten V., Vermeulen P., Fernández Pierna J.A., Dardenne P. From targeted to untargeted detection of contaminants and foreign bodies in food and feed using NIR spectroscopy. New Food 2014, 17(3):16-23.
Lu X., Si-Min Y., Chen-Bo C., Zhen-Ji W., Xiao-Ping Y. The feasibility of using near-infrared spectroscopy and chemometrics for untargeted detection of protein adulteration in yogurt: removing unwanted variations in pure yogurt. J. Anal. Methods Chem. 2013, 2013:1-9.
Moore J.C., Ganguly A., Smeller J., Botros L., Mossoba M., Bergana M.M. Standardisation of non-targeted screening tools to detect adulterations in skim milk powder using NIR spectroscopy and chemometrics. NIR News 2012, 23(5):9-11.
Xu L., Yan S.M., Cai C.B., Yu X.P. Untargeted detection and quantitative analysis of poplar balata (PB) in Chinese propolis by FT-NIR spectroscopy and chemometrics. Food Chem. 2013, 141(4):4132-4137.
FOSS Abnormal spectrum screening (ASM). A White Paper from FOSS. P/N 1026513, Issue 2, May 2014 2014.
Abbas O., Lecler B., Dardenne P., Baeten V. Detection of melamine and cyanuric acid in feed ingredients by near infrared spectroscopy and chemometrics. J. Near Infrared Spectrosc. 2013, 21:183.
Haughey S.A., Graham S.F., Cancouët E., Elliott C.T. The application of near-infrared reflectance spectroscopy (NIRS) to detect melamine adulteration of soyabean meal. Food Chem. 2013, 136:1557.
Fernández Pierna J.A., Vincke D., Dardenne P., Yang Z., Han L., Baeten V. Line scan hyperspectral imaging spectroscopy for the early detection of melamine and cyanuric acid in feed. J. Near Infrared Spectrosc. 2014, 22:103-112.
Lin M. A review of traditional and novel detection techniques for melamine and its analogues in foods and animal feed. Front. Chem. Eng. Chin. 2009, 3:427.
Yuan L., Ewen E., Todd D., Qiang Z., Jiang-rong S., Xian-jin L. Recent developments in the detection of melamine. J. Zhejiang Univ. Sci. B 2012, 13(7):525-532.
Davies T. Spectroscopy Europe 11/4 1999.
Press W.H., Teukolsky S.A., Vetterling W.T., Flannery B.P. Numerical Recipes in C: The Art of Scientific Computing 1992, Cambridge University Press.
Ruiz N. 'Near Infrared Spectroscopy: present and future applications', Technical Bulletin of the American Soybean Association, Vol FT52-2001 Available at, (last accessed October 2015). http://ussec.org/wp-content/uploads/sites/6/2013/06/sm_052010_E.pdf.
Jackson J.E. A User's Guide to Principal Components 1991, Wiley.
Lu C., Xiang B., Hao G., Xu J., Wang Z., Chen C. Rapid detection of melamine in milk powder by near infrared spectroscopy. J. Near Infrared Spectrosc. 2009, 17:59-67.
Mauer L.J., Chernyshova A.A., Hiatt A., Deering A., Davis R. Melamine detection in infant formula powder using near- and mid-infrared spectroscopy. J. Agric. Food Chem. 2009, 57(10):3974-3980.
Norris K. Letter to the Editor: hazards with near-infrared spectroscopy in detecting contamination. J. Near Infrared Spectrosc. 2009, 17(4):165-166.