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Simultaneous determination of lodine value and trans content of fats and oils by single‐bounce horizontal attenuated total reflectance fourier transform infrared spectroscopy
Author(s) -
Sedman Jacqueline,
van de Voort F. R.,
Ismail Ashraf A.
Publication year - 2000
Publication title -
journal of the american oil chemists' society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.512
H-Index - 117
eISSN - 1558-9331
pISSN - 0003-021X
DOI - 10.1007/s11746-000-0064-y
Subject(s) - attenuated total reflection , partial least squares regression , fourier transform infrared spectroscopy , analytical chemistry (journal) , chemistry , calibration , fourier transform , infrared , content (measure theory) , iodine value , gas chromatography , fourier transform spectroscopy , infrared spectroscopy , spectroscopy , chromatography , mathematics , optics , organic chemistry , statistics , physics , mathematical analysis , quantum mechanics
A method for the simultaneous determination of iodine value (IV) and trans content from the Fourier transform infrared (FTIR) spectra of neat fats and oils recorded with the use of a heated single‐bounce horizontal attenuated total reflectance (SB‐HATR) sampling accessory was developed. Partial least squares (PLS) regression was employed for the development of the calibration models, and a set of nine pure triacylglycerols served as the calibration standards. Regression of the FTIR/PLS‐predicted IV and trans contents for ten partially hydrogenated oil samples against reference values obtained by gas chromatography yielded slopes close to unity and SD of <1. Good agreement (SD<0.35) also was obtained between the trans predictions from the PLS calibration model and trans determinations performed by the recently adopted AOCS FTIR/SBHART method for the determination of isolated trans isomers in fats and oils.