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Evaluation of FT-NIR and ATR-FTIR spectroscopy techniques for determination of minor odd- and branched-chain saturated and trans unsaturated milk fatty acids

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Abstract
Determination of nutritionally important trans MUFA, CLA, and OBCFA milk fatty acids (often present in amounts lower than 1.0 g/100 g of total fat) using fast and nondestructive analytical methods would enhance their use as diagnostic tools in dairy herd and human health management. Here, PLS regression using ATR/FTIR spectra indicated potential for determination of trans-11 C18:1 and trans-12 C18:1 (R-cv(2) >= 0.80), and trans-9 C18:1 in very minor concentration (R-cv(2) > 0.82), as well as anteiso C15:0 (R-cv(2) = 0.57) and iso C17:0 (R-cv(2) = 0.61). Furthermore, the main cis-9,trans-11 CLA isomer was predicted well despite the high trans MUFA concentration. Differentiation between the CLA and the trans MUFA signals was evident (based on specific cis/trans bands), and branched-chain saturated fatty acid methyl esters revealed specific iso and anteiso ATR/FTIR absorbance bands. None of the minor FA PLS results with FT-NIR showed interesting potential, except satisfactory predictions for trans-9 C18:1 and cis-9,trans-11 CLA. Overall, ATR/FTIR resulted in better calibrations and provided more specific information for determination of minor milk fatty acids.
Keywords
trans fat, CLA, milk fat, FT-NIR, FTIR, ATR, OBCFA, spectroscopy, CONJUGATED LINOLEIC-ACID, NEAR-INFRARED SPECTROSCOPY, RUMEN FERMENTATION PATTERN, RAMAN-SPECTROSCOPY, DAIRY-COWS, ISOMERS, OILS

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MLA
Stefanov, Ivan, et al. “Evaluation of FT-NIR and ATR-FTIR Spectroscopy Techniques for Determination of Minor Odd- and Branched-Chain Saturated and Trans Unsaturated Milk Fatty Acids.” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, vol. 61, no. 14, 2013, pp. 3403–13, doi:10.1021/jf304515v.
APA
Stefanov, I., Baeten, V., Abbas, O., Vlaeminck, B., De Baets, B., & Fievez, V. (2013). Evaluation of FT-NIR and ATR-FTIR spectroscopy techniques for determination of minor odd- and branched-chain saturated and trans unsaturated milk fatty acids. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 61(14), 3403–3413. https://doi.org/10.1021/jf304515v
Chicago author-date
Stefanov, Ivan, Vincent Baeten, Ouissam Abbas, Bruno Vlaeminck, Bernard De Baets, and Veerle Fievez. 2013. “Evaluation of FT-NIR and ATR-FTIR Spectroscopy Techniques for Determination of Minor Odd- and Branched-Chain Saturated and Trans Unsaturated Milk Fatty Acids.” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY 61 (14): 3403–13. https://doi.org/10.1021/jf304515v.
Chicago author-date (all authors)
Stefanov, Ivan, Vincent Baeten, Ouissam Abbas, Bruno Vlaeminck, Bernard De Baets, and Veerle Fievez. 2013. “Evaluation of FT-NIR and ATR-FTIR Spectroscopy Techniques for Determination of Minor Odd- and Branched-Chain Saturated and Trans Unsaturated Milk Fatty Acids.” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY 61 (14): 3403–3413. doi:10.1021/jf304515v.
Vancouver
1.
Stefanov I, Baeten V, Abbas O, Vlaeminck B, De Baets B, Fievez V. Evaluation of FT-NIR and ATR-FTIR spectroscopy techniques for determination of minor odd- and branched-chain saturated and trans unsaturated milk fatty acids. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY. 2013;61(14):3403–13.
IEEE
[1]
I. Stefanov, V. Baeten, O. Abbas, B. Vlaeminck, B. De Baets, and V. Fievez, “Evaluation of FT-NIR and ATR-FTIR spectroscopy techniques for determination of minor odd- and branched-chain saturated and trans unsaturated milk fatty acids,” JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, vol. 61, no. 14, pp. 3403–3413, 2013.
@article{3235765,
  abstract     = {{Determination of nutritionally important trans MUFA, CLA, and OBCFA milk fatty acids (often present in amounts lower than 1.0 g/100 g of total fat) using fast and nondestructive analytical methods would enhance their use as diagnostic tools in dairy herd and human health management. Here, PLS regression using ATR/FTIR spectra indicated potential for determination of trans-11 C18:1 and trans-12 C18:1 (R-cv(2) >= 0.80), and trans-9 C18:1 in very minor concentration (R-cv(2) > 0.82), as well as anteiso C15:0 (R-cv(2) = 0.57) and iso C17:0 (R-cv(2) = 0.61). Furthermore, the main cis-9,trans-11 CLA isomer was predicted well despite the high trans MUFA concentration. Differentiation between the CLA and the trans MUFA signals was evident (based on specific cis/trans bands), and branched-chain saturated fatty acid methyl esters revealed specific iso and anteiso ATR/FTIR absorbance bands. None of the minor FA PLS results with FT-NIR showed interesting potential, except satisfactory predictions for trans-9 C18:1 and cis-9,trans-11 CLA. Overall, ATR/FTIR resulted in better calibrations and provided more specific information for determination of minor milk fatty acids.}},
  author       = {{Stefanov, Ivan and Baeten, Vincent and Abbas, Ouissam and Vlaeminck, Bruno and De Baets, Bernard and Fievez, Veerle}},
  issn         = {{0021-8561}},
  journal      = {{JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY}},
  keywords     = {{trans fat,CLA,milk fat,FT-NIR,FTIR,ATR,OBCFA,spectroscopy,CONJUGATED LINOLEIC-ACID,NEAR-INFRARED SPECTROSCOPY,RUMEN FERMENTATION PATTERN,RAMAN-SPECTROSCOPY,DAIRY-COWS,ISOMERS,OILS}},
  language     = {{eng}},
  number       = {{14}},
  pages        = {{3403--3413}},
  title        = {{Evaluation of FT-NIR and ATR-FTIR spectroscopy techniques for determination of minor odd- and branched-chain saturated and trans unsaturated milk fatty acids}},
  url          = {{http://dx.doi.org/10.1021/jf304515v}},
  volume       = {{61}},
  year         = {{2013}},
}

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