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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
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.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
keyword
PLS, FT-RAMAN SPECTROSCOPY, MSC, fatty acids, milk fat, temperature, Raman, CONJUGATED LINOLEIC ACIDS, spectroscopy, OLIVE OIL, GAS-CHROMATOGRAPHY, FRACTIONATION, BEHAVIOR
journal title
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
J. Agric. Food Chem.
volume
58
issue
20
pages
10804 - 10811
Web of Science type
Article
Web of Science id
000283100800002
JCR category
AGRICULTURE, MULTIDISCIPLINARY
JCR impact factor
2.816 (2010)
JCR rank
2/55 (2010)
JCR quartile
1 (2010)
ISSN
0021-8561
DOI
10.1021/jf102037g
language
English
UGent publication?
yes
classification
A1
copyright statement
I have transferred the copyright for this publication to the publisher
id
1083302
handle
http://hdl.handle.net/1854/LU-1083302
date created
2010-12-06 11:20:32
date last changed
2010-12-07 14:28:21
@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 {\textrangle} 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},
  keyword      = {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},
}

Chicago
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.
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.
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.
MLA
Stefanov, Ivan, V Baeten, O Abbas, et al. “Analysis of Milk Odd- and Branched-chain Fatty Acids Using Fourier Transform (FT)-Raman Spectroscopy.” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY 58.20 (2010): 10804–10811. Print.