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Analysis of milk odd- and branched-chain fatty acids using Fourier transform (FT)-Raman spectroscopy

Ivan Stefanov (UGent) , V Baeten, O Abbas, Ellen Colman (UGent) , Bruno Vlaeminck (UGent) , Bernard De Baets (UGent) and Veerle Fievez (UGent)
(2010) JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY. 58(20). p.10804-10811
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Abstract
Fourier transform (FT)-Raman spectra of pure 013:0, C15:0, 017:0, iso 014:0, iso 015:0, and ante C15:0 fatty acid methyl ester standards (FAMESs) and 75 milk fat samples from 6 different dietary experiments were acquired at room temperature (AT) and immediately after freezing at -80 degrees C (FT). The latter generally included much more well-defined and sharper scattering bands than those obtained at RT. Further, the spectra at FT revealed additional acuate bands in the vicinity of peculiar wavenumber regions, as well as an increase of Raman scattering intensity, which was sometimes associated with a shift of the peak. Partial least-squares (PLS) regression models based on either selected regions or the full spectra and using two pretreatment methods [multiplicative scatter correction (MSC, using raw spectra of milk fat only) and modified MSC (MMSC, a combination of pure FAMESs and milk fat spectra)] with cross-validation were used to evaluate the different types of milk fat FT-Raman spectra for the predictions of individual odd- and branched-chain fatty acids (OBCFAs) and their sums. In general, most individual (015:0, ante 015:0, iso 017:0, and ante 017:0) and grouped (ODD, ANTE, and total OBCFAs) fatty acids were favorably (coefficient of determination, R-2 > 0.65) predicted using models with FT spectra only or a combination of AT and FT spectra (AFT), when compared to models with spectra analyzed at AT only. The results indicate the interest to use FT-Raman spectra collected at different temperatures for the prediction of narrow concentrations of saturated OBCFAs in milk fat.
Keywords
PLS, FT-RAMAN SPECTROSCOPY, MSC, fatty acids, milk fat, temperature, Raman, CONJUGATED LINOLEIC ACIDS, spectroscopy, OLIVE OIL, GAS-CHROMATOGRAPHY, FRACTIONATION, BEHAVIOR

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MLA
Stefanov, Ivan, et al. “Analysis of Milk Odd- and Branched-Chain Fatty Acids Using Fourier Transform (FT)-Raman Spectroscopy.” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, vol. 58, no. 20, 2010, pp. 10804–11, doi:10.1021/jf102037g.
APA
Stefanov, I., Baeten, V., Abbas, O., Colman, E., Vlaeminck, B., De Baets, B., & Fievez, V. (2010). Analysis of milk odd- and branched-chain fatty acids using Fourier transform (FT)-Raman spectroscopy. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 58(20), 10804–10811. https://doi.org/10.1021/jf102037g
Chicago author-date
Stefanov, Ivan, V Baeten, O Abbas, Ellen Colman, Bruno Vlaeminck, Bernard De Baets, and Veerle Fievez. 2010. “Analysis of Milk Odd- and Branched-Chain Fatty Acids Using Fourier Transform (FT)-Raman Spectroscopy.” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY 58 (20): 10804–11. https://doi.org/10.1021/jf102037g.
Chicago author-date (all authors)
Stefanov, Ivan, V Baeten, O Abbas, Ellen Colman, Bruno Vlaeminck, Bernard De Baets, and Veerle Fievez. 2010. “Analysis of Milk Odd- and Branched-Chain Fatty Acids Using Fourier Transform (FT)-Raman Spectroscopy.” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY 58 (20): 10804–10811. doi:10.1021/jf102037g.
Vancouver
1.
Stefanov I, Baeten V, Abbas O, Colman E, Vlaeminck B, De Baets B, et al. Analysis of milk odd- and branched-chain fatty acids using Fourier transform (FT)-Raman spectroscopy. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY. 2010;58(20):10804–11.
IEEE
[1]
I. Stefanov et al., “Analysis of milk odd- and branched-chain fatty acids using Fourier transform (FT)-Raman spectroscopy,” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, vol. 58, no. 20, pp. 10804–10811, 2010.
@article{1083302,
  abstract     = {{Fourier transform (FT)-Raman spectra of pure 013:0, C15:0, 017:0, iso 014:0, iso 015:0, and ante C15:0 fatty acid methyl ester standards (FAMESs) and 75 milk fat samples from 6 different dietary experiments were acquired at room temperature (AT) and immediately after freezing at -80 degrees C (FT). The latter generally included much more well-defined and sharper scattering bands than those obtained at RT. Further, the spectra at FT revealed additional acuate bands in the vicinity of peculiar wavenumber regions, as well as an increase of Raman scattering intensity, which was sometimes associated with a shift of the peak. Partial least-squares (PLS) regression models based on either selected regions or the full spectra and using two pretreatment methods [multiplicative scatter correction (MSC, using raw spectra of milk fat only) and modified MSC (MMSC, a combination of pure FAMESs and milk fat spectra)] with cross-validation were used to evaluate the different types of milk fat FT-Raman spectra for the predictions of individual odd- and branched-chain fatty acids (OBCFAs) and their sums. In general, most individual (015:0, ante 015:0, iso 017:0, and ante 017:0) and grouped (ODD, ANTE, and total OBCFAs) fatty acids were favorably (coefficient of determination, R-2 > 0.65) predicted using models with FT spectra only or a combination of AT and FT spectra (AFT), when compared to models with spectra analyzed at AT only. The results indicate the interest to use FT-Raman spectra collected at different temperatures for the prediction of narrow concentrations of saturated OBCFAs in milk fat.}},
  author       = {{Stefanov, Ivan and Baeten, V and Abbas, O and Colman, Ellen and Vlaeminck, Bruno and De Baets, Bernard and Fievez, Veerle}},
  issn         = {{0021-8561}},
  journal      = {{JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY}},
  keywords     = {{PLS,FT-RAMAN SPECTROSCOPY,MSC,fatty acids,milk fat,temperature,Raman,CONJUGATED LINOLEIC ACIDS,spectroscopy,OLIVE OIL,GAS-CHROMATOGRAPHY,FRACTIONATION,BEHAVIOR}},
  language     = {{eng}},
  number       = {{20}},
  pages        = {{10804--10811}},
  title        = {{Analysis of milk odd- and branched-chain fatty acids using Fourier transform (FT)-Raman spectroscopy}},
  url          = {{http://dx.doi.org/10.1021/jf102037g}},
  volume       = {{58}},
  year         = {{2010}},
}
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