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Quality and statistical classification of Brazilian vegetable oils using mid-infrared and Raman spectroscopy

(2012) APPLIED SPECTROSCOPY. 66(5). p.552-565
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Production of imidized styrene-maleic anhydride (SMI) nanoparticles and surface interactions with different substrates
Abstract
Palm oil, soy oil, sunflower oil, corn oil, castor oil, and rapeseed oil were analyzed with Fourier transform infrared (FT-IR) and FT-Raman spectroscopy. The quality of different oils was evaluated and statistically classified by principal component analysis (PCA) and a partial least squares (PI,S) regression model. First, a calibration set of spectra was selected from one sampling batch. The qualitative variations in spectra are discussed with a prediction of oil composition (saturated, mono- and polyunsaturated fatty acids) from mid-infrared analysis and iodine value from FT-Raman analysis, based on ratioing the intensity of bands at given wavenumbers. A more robust and convincing oil classification is obtained from two-parameter statistical models. The statistical analysis of FT-Raman spectra favorably distinguishes according to the iodine value, while the mid-infrared spectra are most sensitive to hydroxyl moieties. Second, the models are validated with a set of spectra from another sampling hatch, including the same oil types as-received and after different aging times together with a hydrogenated castor oil and high-oleic sunflower oil. There is very good agreement between the model predictions and the Raman measurements, hut the statistical significance is lower for mid-infrared spectra. In the future, this calibration model will be used to check vegetable oil qualities before using them in polymerization processes.
Keywords
GAS-CHROMATOGRAPHY, FAT CLASSIFICATION, FTIR SPECTROSCOPY, Classification, Vegetable oil, Spectroscopy, PRINCIPAL-COMPONENT ANALYSIS, TRANSFORM-INFRARED-SPECTROSCOPY, ACID METHYL-ESTERS, ATTENUATED TOTAL REFLECTANCE, Statistics, OLIVE OIL, QUANTITATIVE-DETERMINATION, EDIBLE OILS

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Citation

Please use this url to cite or link to this publication:

Chicago
Samyn, Pieter, Dieter Van Nieuwkerke, Gustaaf Schoukens, Leo Vonck, Dirk Stanssens, and Henk Van den Abbeele. 2012. “Quality and Statistical Classification of Brazilian Vegetable Oils Using Mid-infrared and Raman Spectroscopy.” Applied Spectroscopy 66 (5): 552–565.
APA
Samyn, Pieter, Van Nieuwkerke, D., Schoukens, G., Vonck, L., Stanssens, D., & Van den Abbeele, H. (2012). Quality and statistical classification of Brazilian vegetable oils using mid-infrared and Raman spectroscopy. APPLIED SPECTROSCOPY, 66(5), 552–565.
Vancouver
1.
Samyn P, Van Nieuwkerke D, Schoukens G, Vonck L, Stanssens D, Van den Abbeele H. Quality and statistical classification of Brazilian vegetable oils using mid-infrared and Raman spectroscopy. APPLIED SPECTROSCOPY. 2012;66(5):552–65.
MLA
Samyn, Pieter, Dieter Van Nieuwkerke, Gustaaf Schoukens, et al. “Quality and Statistical Classification of Brazilian Vegetable Oils Using Mid-infrared and Raman Spectroscopy.” APPLIED SPECTROSCOPY 66.5 (2012): 552–565. Print.
@article{3228591,
  abstract     = {Palm oil, soy oil, sunflower oil, corn oil, castor oil, and rapeseed oil were analyzed with Fourier transform infrared (FT-IR) and FT-Raman spectroscopy. The quality of different oils was evaluated and statistically classified by principal component analysis (PCA) and a partial least squares (PI,S) regression model. First, a calibration set of spectra was selected from one sampling batch. The qualitative variations in spectra are discussed with a prediction of oil composition (saturated, mono- and polyunsaturated fatty acids) from mid-infrared analysis and iodine value from FT-Raman analysis, based on ratioing the intensity of bands at given wavenumbers. A more robust and convincing oil classification is obtained from two-parameter statistical models. The statistical analysis of FT-Raman spectra favorably distinguishes according to the iodine value, while the mid-infrared spectra are most sensitive to hydroxyl moieties. Second, the models are validated with a set of spectra from another sampling hatch, including the same oil types as-received and after different aging times together with a hydrogenated castor oil and high-oleic sunflower oil. There is very good agreement between the model predictions and the Raman measurements, hut the statistical significance is lower for mid-infrared spectra. In the future, this calibration model will be used to check vegetable oil qualities before using them in polymerization processes.},
  author       = {Samyn, Pieter and Van Nieuwkerke, Dieter and Schoukens, Gustaaf and Vonck, Leo and Stanssens, Dirk and Van den Abbeele, Henk},
  issn         = {0003-7028},
  journal      = {APPLIED SPECTROSCOPY},
  keyword      = {GAS-CHROMATOGRAPHY,FAT CLASSIFICATION,FTIR SPECTROSCOPY,Classification,Vegetable oil,Spectroscopy,PRINCIPAL-COMPONENT ANALYSIS,TRANSFORM-INFRARED-SPECTROSCOPY,ACID METHYL-ESTERS,ATTENUATED TOTAL REFLECTANCE,Statistics,OLIVE OIL,QUANTITATIVE-DETERMINATION,EDIBLE OILS},
  language     = {eng},
  number       = {5},
  pages        = {552--565},
  title        = {Quality and statistical classification of Brazilian vegetable oils using mid-infrared and Raman spectroscopy},
  url          = {http://dx.doi.org/10.1366/11-06484},
  volume       = {66},
  year         = {2012},
}

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