Abstract
Fourier transform near-infrared (FT-NIR) spectroscopy in conjunction with partial least squares 1 (PLS1) calibration models was previously reported to be an alternative method to GC for the rapid determination of the fatty acid (FA) composition of fats and oils. These calibration models had been developed based on accurate GC data (primary reference method) and observed FT-NIR spectra. In the present three-laboratory limited collaborative study, the transferability of these pre-developed calibration models to four other FT-NIR spectrometers from the same manufacturer was evaluated. Six samples were selected that provided a wide range of FA contents. Our results indicate that these models were successfully transferable to spectrometers operating in the transflection mode with 2- or 4-mm pathlength fiber optic probes or in the transmission mode using 5-mm, but not 8-mm, outer diameter tubes. The predicted FA composition fell within the statistically accepted limits of agreement between FT-NIR and GC. The FT-NIR precision data were consistent with those reported in a published GC collaborative study. The application of FT-NIR to the determination of the total content of SFA, trans FA, MUFA, and PUFA is cost-effective and potentially suitable for the rapid screening of commercial products for compliance verification with labeling regulations.
Similar content being viewed by others
References
Ratnayake WMN, Zehaluk C (2005) Trans fatty acids in foods and their labeling regulations. In: Akoh CC, Lai O-M (eds) Healthful lipids. AOCS Press, Champaign, pp 1–32
Duhem K (2009) Legislation relating to trans acids. In: Destaillats F, Sébédio J-L, Dionisi F, Chardigny J-M (eds) Trans fatty acids in human nutrition. The Oily Press, Bridgwater, pp 381–394
AOAC Offical Method 996.06, Fat (total, saturated, and unsaturated) in foods. Hydrolytic extraction gas chromatographic method. Revised 2001
AOCS Official Method Ce 1 h-05, Determination of cis-, trans-, saturated, monounsaturated and polyunsaturated fatty acids in vegetable or non-ruminant animal oils and fats by capillary GLC. Approved 2005
Precht D, Molkentin J (2000) Recent trends in the fatty acid composition of German sunflower margarines, shortenings and cooking fats with emphasis on individual C16:1, C18:1, C18:2, C18:3 and 20:1 trans isomers. Nahrung 44:222–228
Ratnayake WMN (2004) Overview of methods for the determination of trans fatty acids by gas chromatography, silver-ion thin-layer chromatography, silver-ion liquid chromatography, and gas chromatography/mass spectrometry. J AOAC Int 87:523–539
Cruz-Hernandez C, Deng Z, Zhou J, Hill AR, Yurawecz MP, Delmonte P, Mossoba MM, Dugan MER, Kramer JKG (2004) Methods for analysis of conjugated linoleic acids and trans-18:1 isomers in dairy fats using a combination of gas chromatography, silver-ion thin-layer chromatography/gas chromatography, and silver-ion liquid chromatography. J AOAC Int 87:545–562
Azizian H, Kramer JKG (2005) A rapid method for the quantification of fatty acids in fats and oils with emphasis on trans fatty acids using Fourier transform near infrared spectroscopy (FT-NIR). Lipids 40:855–867
Azizian H, Kramer JKG, Winsborough SL (2007) Factors influencing the fatty acid determination in fats and oils using Fourier transform near-infrared spectroscopy. Eur J Lipid Sci Technol 109:960–968
Azizian H, Kramer JKG, Ehler S, Curtis JM (2010) Rapid quantitation of fish oil fatty acids and their ethyl esters by FT-NIR models. Eur J Lipid Sci Technol 112:452–462
AOCS Official Method Cd 14d-99 (1999) Rapid determination of isolated trans geometric isomers in fats and oils by attenuated total reflection infrared spectroscopy
AOAC Official Method 2000.10 (2000) Determination of total isolated trans unsaturated fatty acids in fats and oils. ATR-FTIR spectroscopy
AOCS Official Method Cd 14e-09 (2009) Negative second derivative infrared spectroscopic method for the rapid (5 min) determination of total isolated trans fat
Mossoba MM, Seiler A, Kramer JKG, Milosevic V, Milosevic M, Azizian H, Steinhart H (2009) Nutrition labeling: rapid determination of total trans fats by using internal reflection infrared spectroscopy and a second derivative procedure. J Am Oil Chem Soc 86:1037–1045
Azizian H, Kramer JKG, Mossoba MM (2010) Progression of fatty acid profiling of edible fats and oils using vibrational spectroscopy. In: Li-Chan ECY, Griffiths PR, Chalmers JM (eds) Applications of vibrational spectroscopy in food science, vol II., Analysis of food drink and related materialsWiley, Chichester, pp 519–537
Anon (1995) Guidelines for collaborative study procedure to validate characteristics of a method of analysis. J AOAC Int 78:143A–160A
Horwitz W, Albert R (2006) The Horwitz ratio (HorRat): a useful index of method performance with respect to precision. J AOAC Intl 89:1095–1109
Mossoba MM, Moss J, Kramer JKG (2009) Trans fat labeling and levels in US foods: assessment of gas chromatographic and infrared spectroscopic techniques for regulatory compliance. J AOAC Int 92:1284–1300
Kramer JKG, Hernandez M, Cruz-Hernandez C, Kraft J, Dugan MER (2008) Combining results of two GC separations partly achieves determination of all cis and trans 16:1, 18:1, 18:2, 18:3 and CLA isomers of milk fat as demonstrated using Ag-ion SPE fractionation. Lipids 43:259–273
Kramer JKG, Blackadar CB, Zhou J (2002) Evaluation of two GC columns (60-m SUPELCOWAX 10 and 100-m CP Sil 88) for analysis of milkfat with emphasis on CLA, 18:1, 18:2 and 18:3 isomers, and short- and long-chain FA. Lipids 37:823–835
Kramer JKG, Fellner V, Dugan MER, Sauer FD, Mossoba MM, Yurawecz MP (1997) Evaluating acid and base catalysts in the methylation of milk and rumen fatty acids with special emphasis on conjugated dienes and total trans fatty acids. Lipids 32:1219–1228
Bland JM, Altman DG (1986) Statistical methods for assessing agreement between two methods of clinical measurement. Lancet 327(8476):307–310
Altman DG, Bland JM (1983) Measurement in medicine: the analysis of method comparison studies. Statistician 32:307–317
Williams PC (2001) Implementation of near-infrared technology. In: Williams P, Norris K (eds) The near-infrared technology in the agricultural and food industries. American Association of Cereal Chemists, St. Paul, pp 19–37
Department of Health and Human Services (2003) Food and Drug Administration, food labeling: trans fatty acids in nutrition labeling: nutrient content claims, and health claims. Final rule, July 11, 2003. Fed Reg 68:41434–41506
Department of Health (2003) Regulations amending the Food and drug regulations (Nutritional labelling, nutrient content claims and health claims). Canada Gazette, Part II (Ottawa, Canada) 137:154–409
Acknowledgments
We thank Drs. Peter Krygsman and Hui Li of Bruker Optics from Canada and USA for their support and for providing the opportunity to use Bruker MPA FT-NIR instruments in this study.
Author information
Authors and Affiliations
Corresponding author
About this article
Cite this article
Azizian, H., Kramer, J.K.G. & Mossoba, M.M. Evaluating the Transferability of FT-NIR Calibration Models for Fatty Acid Determination of Edible Fats and Oils Among Five Same-make Spectrometers Using Transmission or Transflection Modes with Different Pathlengths. J Am Oil Chem Soc 89, 2143–2154 (2012). https://doi.org/10.1007/s11746-012-2116-9
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11746-012-2116-9