Application of Extended Multiplicative Signal Correction to Short-Wavelength near Infrared Spectra of Moisture in Marzipan

Abstract

Short-wavelength near infrared spectroscopy (SW-NIR) is a very rapid, versatile and precise technique, which can be used in many different situations and for very types of products and chemical compounds. Extended multiplicative signal correction (EMSC) is a modification of the standard MSC pre-processing method that allows the separation of physical light scattering effects from chemical (vibrational) light absorbance effects in spectra. In this paper, the EMSC is applied and compared with first derivate, second derivate, MSC and SNV in combination of PLSR to obtain robust models in terms of accuracy and predict ability with a reduced calibration data set using SW-NIR spectra of moisture in marzipan. The Extended Multiplicative Signal Correction—EMSC and combination methods provide the best results in terms of prediction ability and calibration SW-NIR spectra of moisture in marzipan. The best classification results were obtained by Extended Multiplicative Signal Correction followed by second derivates.

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P. Santos Panero, F. Santos Panero, J. Santos Panero and H. Bezerra da Silva, "Application of Extended Multiplicative Signal Correction to Short-Wavelength near Infrared Spectra of Moisture in Marzipan," Journal of Data Analysis and Information Processing, Vol. 1 No. 3, 2013, pp. 30-34. doi: 10.4236/jdaip.2013.13005.

Conflicts of Interest

The authors declare no conflicts of interest.

References

[1] C. Pasquini, “Near Infrared Spectroscopy: Fundamentals, Practical Aspects and Analytical Applications,” Journal of the Brazilian Chemical Society, Vol. 14, No. 2, 2003, pp. 198-219. doi:10.1590/S0103-50532003000200006
[2] H. Martens and T. Naes, “Multivariate Calibration,” 1st Edition, John Wiley & Sons, New York, 1996.
[3] H. Martens, J. P. Nielsen and S. B. Engelsen, “Light Scattering and Light Absorbance Separated by Extended Multiplicative Signal Correction. Application to Near- Infrared Transmission Analysis of Powder Mixtures,” Analytical Chemistry, Vol. 75, No. 3, 2003, pp. 394-404. doi:10.1021/ac020194w
[4] H. E. B. da Silva, F. S. Panero and L. P. D. Ribeiro, “Application by Extended Multiplivative Signal Correction to Reflectance Difuse the Near-Infrared of Ration for Shrimp,” 10th International Conference on Chemometrics in Analytical Chemistry, águas de Lindóia, 10-15 September 2006, p. 23.
[5] F. S. Panero and H. E. B. da Silva, “Application by Extended Multiplicative Signal Correction to NIR FR Raman Spectra of Pharmaceutical Tablets,” 58th Pittsburg Conference on Analytical Chemistry and Applied Spectroscopy , Chicago, 25 February-2 March 2007, p. 57.
[6] M. Lin, A. G. Cavinato, D. M. Mayes, S. Smiley, Y. Huang, M. Al-Holy and B. A. Rasco, “Bruise Detection in Pacific Pink Salmon (Oncorhyncus gorbuscha) by Short-Wavelength Near-Infrared Spectroscopy,” Journal of Agricultural and Food Chemistry, Vol. 51, No. 22, 2003, pp. 6404-6408. doi:10.1021/jf0346197
[7] M. H. Lee, A. G. Cavinato, D. M. Mayes and B. A. Rasco, “Noninvasive Short Wavelength Neon IR Spectroscopic Method to Exhibit the Crude Lipid Content in the Muscle of Intact Rainbow Trout,” Journal of Agricultural and Food Chemistry, Vol. 40, No. 1, 1992, pp. 2176-2181. doi:10.1021/jf00023a026
[8] E. Ben-Dar, Y. Inbar and Y. Chen, “The Reflectance Spectra of Organic Matter in the Visible near Infrared and Short Wave Infrared Region (400 - 2500 nm) during a Control Decomposition Process,” Remote Sensing of Environment, Vol. 61, No. 1, 1997, pp. 1-15. doi:10.1016/S0034-4257(96)00120-4
[9] M. G. Trevisan and R. J. Poppi, “Química Analítica de Processos,” Quimica Nova, Vol. 29, No. 5, 2006, pp. 1065-1071. doi:10.1590/S0100-40422006000500029
[10] A. S. Malik, O. Boyko, N. Atkar and W. F. Young, “A Comparative Study of MR Imaging Profile of Titanium Pedicle Screws,” Acta Radiologica, Vol. 42, No. 3, 2001, pp. 291-293. doi:10.1080/028418501127346846
[11] H. Martens and T. N?s, “Multivariate Calibration,” 1st Edition, John Wiley & Sons, Chichester, 1989.
[12] T. N?s, T. Isaksson, T. Fearn and T. Davies, “A User-Friendly Guide to Multivariate Calibration and Classification,” 1st Edition, NIR Publications, Chichester, 2002.
[13] D. L. Massart, B. G. M. Vandeginste, S. N. Deming, Y. Michotte and L. Kaufman, “Data Handling in Science and Technology, Vol. 2: Chemometrics: A Textbook,” 1st Edition, Elsevier, Amsterdam, 1988.
[14] M. J. Saiz-Abajo, B. H. Mevik, V. H. Segtnam and T. Naes, “Ensemble Methods and Data Augmentation by Noise Addition Applied to the Analysis of Spectroscopic Data,” Analytica Chimica Acta, Vol. 533, No. 2, 2005, pp. 147-159. doi:10.1016/j.aca.2004.10.086
[15] Z. P. Chen, J. Morris and E. Martin, “Extracting Chemical Information from Spectral Data with Multiplicative Light Scattering Effects by Optical Path-Length Estimation and Correction,” Analytical Chemistry, Vol. 78, No. 22, 2006, pp. 7674-7681. doi:10.1021/ac0610255
[16] P. Geladi, D. McDougall and H. Martens, “Linearization and Scatter-Correction for Near-Infrared Reflectance Spectra of Meat,” Applied Spectroscopy, Vol. 39, No. 3, 1985, pp. 491-500. doi:10.1366/0003702854248656
[17] H. Martens and E. Stark, “Extended Multiplicative Signal Orrection and Spectral Interference Subtraction: New Pre-processing Methods for near Infrared Spectroscopy,” Journal of Pharmaceutical and Biomedical Analysis, Vol. 9, No. 8, 1991, pp. 625-635. doi:10.1016/0731-7085(91)80188-F
[18] M. Zeaiter, J.-M. Roger and V. Bellon-Maurel, “Robustness of Models Developed by Multivariate Calibration. Part II: The Influence of Pre-Processing Methods,” Trends in Analytical Chemistry, Vol. 24, No. 5, 2005, pp. 437- 445. doi:10.1016/j.trac.2004.11.023
[19] B. D. K. Pedersen, H. Martens, J. Pram-Nielsen and S. Balling-Engelsen, “Near-Infrared Absorption and Scattering Separated by Extended Inverted Signal Correction (EISC): Analysis of Near-Infrared Transmittance Spectra of Single Wheat Seeds,” Applied Spectroscopy, Vol. 56, No. 9, 2002, pp. 1206-1224. doi:10.1366/000370202760295467
[20] H. Martens, J. Pram-Nielsen and S. Balling-Engelsen, “Light Scattering and Light Absorbance Separated by Extended Multiplicative Signal Correction. Application to Near-Infrared Transmission Analysis of Powder Mixtures,” Analytical Chemistry, Vol. 75, No. 3, 2003, pp. 394-404. doi:10.1021/ac020194w
[21] M. Decker, P. V. Nielsen and H. Martens, “Near-Infrared Spectra of Penicillium camemberti Strains Separated by Extended Multiplicative Signal Correction Improved Prediction of Physical and Chemical Variations,” Applied Spectroscopy, Vol. 59, No. 1, 2005, pp. 56-68. doi:10.1366/0003702052940486
[22] Christensen, L. N?rgaard, H. Heimdal, J. G. Pedersen and S. B. Engelsen, “Rapid Spectroscopy Analysis of Marzipan: Comparative Instrumentation,” Journal of near Infrared Spectroscopy, Vol. 12, No. 1, 2004, pp. 63-75. doi:10.1255/jnirs.408

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