Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression: Detection of low trans fat content…

doi:10.1111/1750-3841.14281

Title: Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression: Detection of low trans fat content…

Authors:

Karunathilaka, Sanjeewa R.; Farris, Samantha;

^[1]

U.S. Food and Drug Administration, Center for Food Safety and Applied Nutrition, Office of Regulatory Science, 5001 Campus Drive, College Park Md. 20740 U.S.A

Publication Date:: 2018-07-25

Sponsoring Org.:: USDOE

OSTI Identifier:: 1461603

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Journal of Food Science

Additional Journal Information:: Journal Name: Journal of Food Science Journal Volume: 83 Journal Issue: 8; Journal ID: ISSN 0022-1147

Publisher:: Wiley-Blackwell

Country of Publication:: United States

Language:: English

Citation Formats


                    Karunathilaka, Sanjeewa R., Farris, Samantha, and Mossoba, Magdi M. Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression: Detection of low trans fat content….  United States: N. p., 2018. 
        Web.  doi:10.1111/1750-3841.14281.

Copy to clipboard


                    Karunathilaka, Sanjeewa R., Farris, Samantha, & Mossoba, Magdi M. Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression: Detection of low trans fat content….  United States.  doi:10.1111/1750-3841.14281.

Copy to clipboard


                    Karunathilaka, Sanjeewa R., Farris, Samantha, and Mossoba, Magdi M. Wed .  
        "Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression: Detection of low trans fat content…".  United States.  doi:10.1111/1750-3841.14281.

Copy to clipboard


                    
@article{osti_1461603,

  title        = {Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression: Detection of low trans fat content…},

  author       = {Karunathilaka, Sanjeewa R. and Farris, Samantha and Mossoba, Magdi M.},

  abstractNote = {},

  doi          = {10.1111/1750-3841.14281},

  journal      = {Journal of Food Science},

  number       = 8,

  volume       = 83,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
DOI: 10.1111/1750-3841.14281

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 1 work

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Use of FTIR for Rapid Authentication and Detection of Adulteration of Food
journal, April 2011

Rodriguez-Saona, L. E.; Allendorf, M. E.
Annual Review of Food Science and Technology, Vol. 2, Issue 1
DOI: 10.1146/annurev-food-022510-133750

Developing a rapid and sensitive method for determination of trans-fatty acids in edible oils using middle-infrared spectroscopy
journal, September 2014

da Costa Filho, Paulo Augusto
Food Chemistry, Vol. 158
DOI: 10.1016/j.foodchem.2014.02.084

Evaluation of the Performance of a Portable Mid-Infrared Analyzer for the Rapid Determination of Total Trans Fat in Fast Food
journal, August 2014

Mossoba, Magdi M.; Srigley, Cynthia Tyburczy; Farris, Samantha
Journal of the American Oil Chemists' Society, Vol. 91, Issue 10
DOI: 10.1007/s11746-014-2521-3

Interference of Saturated Fats in the Determination of Low Levels of trans Fats (below 0.5%) by Infrared Spectroscopy
journal, January 2007

Mossoba, M. M.; Kramer, J. K. G.; Milosevic, V.
Journal of the American Oil Chemists' Society, Vol. 84, Issue 4
DOI: 10.1007/s11746-007-1038-4

Identification of Minor C18 Triene and Conjugated Diene Isomers in Hydrogenated Soybean Oil and Margarine by GC-MI-FT-IR Spectroscopy
journal, August 1991

Mossoba, M. M.; McDonald, R. E.; Armstrong, D. J.
Journal of Chromatographic Science, Vol. 29, Issue 8
DOI: 10.1093/chromsci/29.8.324

Application of a Novel, Heated, Nine-Reflection ATR Crystal and a Portable FTIR Spectrometer to the Rapid Determination of Total Trans Fat
journal, September 2011

Mossoba, Magdi M.; Kramer, John K. G.; Azizian, Hormoz
Journal of the American Oil Chemists' Society, Vol. 89, Issue 3
DOI: 10.1007/s11746-011-1930-9

Potential for Onsite and Online Analysis of Pig Manure using Visible and Near Infrared Reflectance Spectroscopy
journal, August 2005

Saeys, W.; Mouazen, A. M.; Ramon, H.
Biosystems Engineering, Vol. 91, Issue 4
DOI: 10.1016/j.biosystemseng.2005.05.001

Determination of trans fat in edible oils: current official methods and overview of recent developments
journal, May 2013

Tyburczy, Cynthia; Mossoba, Magdi M.; Rader, Jeanne I.
Analytical and Bioanalytical Chemistry, Vol. 405, Issue 17
DOI: 10.1007/s00216-013-7005-z

Evaluation of low trans fat edible oils by attenuated total reflection-Fourier transform infrared spectroscopy and gas chromatography: a comparison of analytical approaches
journal, June 2012

Tyburczy, Cynthia; Mossoba, Magdi M.; Fardin-Kia, Ali Reza
Analytical and Bioanalytical Chemistry, Vol. 404, Issue 3
DOI: 10.1007/s00216-012-6189-y

Near and mid infrared spectroscopy and multivariate data analysis in studies of oxidation of edible oils
journal, November 2015

Wójcicki, Krzysztof; Khmelinskii, Igor; Sikorski, Marek
Food Chemistry, Vol. 187
DOI: 10.1016/j.foodchem.2015.04.046

Prediction of various chemical parameters of olive oils with Fourier transform infrared spectroscopy
journal, October 2015

Uncu, Oguz; Ozen, Banu
LWT - Food Science and Technology, Vol. 63, Issue 2
DOI: 10.1016/j.lwt.2015.05.002

Capillary electrophoresis with capacitively coupled contactless conductivity detection for the determination of cis/trans isomers of octadec-9-enoic acid and other long chain fatty acids
journal, May 2013

Wong, Yong Foo; Saad, Bahruddin; Makahleh, Ahmad
Journal of Chromatography A, Vol. 1290
DOI: 10.1016/j.chroma.2013.03.014

Classification and quantification of palm oil adulteration via portable NIR spectroscopy
journal, February 2017

Basri, Katrul Nadia; Hussain, Mutia Nurulhusna; Bakar, Jamilah
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Vol. 173
DOI: 10.1016/j.saa.2016.09.028

Application of temperature-controlled attenuated total reflectance-mid-infrared (ATR-MIR) spectroscopy for rapid estimation of butter adulteration
journal, August 2010

Koca, N.; Kocaoglu-Vurma, N. A.; Harper, W. J.
Food Chemistry, Vol. 121, Issue 3
DOI: 10.1016/j.foodchem.2009.12.083

Rapid Prediction of Fatty Acid Content in Marine Oil Omega-3 Dietary Supplements Using a Portable Fourier Transform Infrared (FTIR) Device and Partial Least-Squares Regression (PLSR) Analysis
journal, December 2016

Karunathilaka, Sanjeewa R.; Mossoba, Magdi M.; Chung, Jin Kyu
Journal of Agricultural and Food Chemistry, Vol. 65, Issue 1
DOI: 10.1021/acs.jafc.6b04463

Nutrition Labeling: Rapid Determination of Total trans Fats by Using Internal Reflection Infrared Spectroscopy and a Second Derivative Procedure
journal, August 2009

Mossoba, Magdi M.; Seiler, A.; Kramer, J. K. G.
Journal of the American Oil Chemists' Society, Vol. 86, Issue 11
DOI: 10.1007/s11746-009-1444-x

Tutorial: Items to be included in a report on a near infrared spectroscopy project
journal, April 2017

Williams, Phil; Dardenne, Pierre; Flinn, Peter
Journal of Near Infrared Spectroscopy, Vol. 25, Issue 2
DOI: 10.1177/0967033517702395

Characterization of fatty acid and triacylglycerol composition in animal fats using silver-ion and non-aqueous reversed-phase high-performance liquid chromatography/mass spectrometry and gas chromatography/flame ionization detection
journal, October 2011

Lísa, Miroslav; Netušilová, Kateřina; Franěk, Lukáš
Journal of Chromatography A, Vol. 1218, Issue 42
DOI: 10.1016/j.chroma.2011.07.032

Detection of several common adulterants in raw milk by MID-infrared spectroscopy and one-class and multi-class multivariate strategies
journal, September 2017

Gondim, Carina de Souza; Junqueira, Roberto Gonçalves; Souza, Scheilla Vitorino Carvalho de
Food Chemistry, Vol. 230
DOI: 10.1016/j.foodchem.2017.03.022

Quantitation of Saccharin and Cyclamate in Tabletop Formulations by Portable Raman and NIR Spectrometers in Combination with Partial Least Squares Regression
journal, October 2017

Karunathilaka, Sanjeewa R.; Yakes, Betsy Jean; Farris, Samantha
Food Analytical Methods, Vol. 11, Issue 4
DOI: 10.1007/s12161-017-1057-1

Updated estimate of trans fat intake by the US population
journal, June 2012

Doell, D.; Folmer, D.; Lee, H.
Food Additives & Contaminants: Part A, Vol. 29, Issue 6
DOI: 10.1080/19440049.2012.664570

Simultaneous quantitative determination of isolated trans fatty acids and conjugated linoleic acids in oils and fats by chemometric analysis of the infrared profiles
journal, December 2003

Christy, Alfred A.; Egeberg, Per K.; Østensen, Eilif T.
Vibrational Spectroscopy, Vol. 33, Issue 1-2
DOI: 10.1016/S0924-2031(03)00094-8

Statistical Methods for Assessing Agreement Between two Methods of Clinical Measurement
journal, February 1986

Martin Bland, J.; Altman, DouglasG.
The Lancet, Vol. 327, Issue 8476
DOI: 10.1016/S0140-6736(86)90837-8

Comprehensive two dimensional gas chromatographic separation of fatty acids methyl esters with online reduction
journal, December 2014

Delmonte, Pierluigi; Kramer, John K. G.; Hayward, Douglas G.
Lipid Technology, Vol. 26, Issue 11-12
DOI: 10.1002/lite.201400064

An analysis of variance test for normality (complete samples)
journal, December 1965

Shapiro, S. S.; Wilk, M. B.
Biometrika, Vol. 52, Issue 3-4
DOI: 10.1093/biomet/52.3-4.591

Profile of trans Fatty Acids (FAs) Including Trans Polyunsaturated FAs in Representative Fast Food Samples
journal, April 2012

Tyburczy, Cynthia; Delmonte, Pierluigi; Fardin-Kia, Ali Reza
Journal of Agricultural and Food Chemistry, Vol. 60, Issue 18
DOI: 10.1021/jf300585s

Similar records in OSTI.GOV collections:

The Effect of Cavitating Ultrasound on the Aqueous Phase Hydrogenation of Cis-2-buten-1-ol and Cis-2-penten-1-ol on Pd-black

Journal Article Disselkamp, Robert S. ; Denslow, Kayte M. ; Hart, Todd R. ; ... - Applied Catalysis. A, General

We have studied the effect of cavitating ultrasound on the heterogeneous aqueous hydrogenation of cis-2-buten-1-ol (C4 olefin) and cis-2-penten-1-ol (C5 olefin) on Pd-black to form the trans-olefins (trans-2-buten-1-ol and trans-2-penten-1-ol) and saturated alcohols (1-butanol and 1-pentanol, respectively). Silent (and magnetically stirred) experiments served as control experiments. As described in an earlier publication by our group, we have added an inert dopant, 1-propanol, in the reaction mixture to ensure the rapid onset of cavitation in the ultrasound-assisted reactions that can lead to altered selectivity compared to silent reaction systems [Disselkamp et al., J. Catal., 227 (2004) 552]. The motivation for thismore »« less
DOI: 10.1016/j.apcata.2005.04.040
The effect of cavitating ultrasound on the aqueous phase hydrogenation of cis-2-buten-1-ol and cis-2-penten-1-ol on Pd-black

Journal Article Disselkamp, Robert S. ; Denslow, Kayte M. ; Hart, Todd R. ; ... - Applied Catalysis. A, General

We have studied the effect of cavitating ultrasound on the heterogeneous aqueous hydrogenation of cis-2-buten-1-ol (C4 olefin) and cis-2-penten-1-ol (C5 olefin) on Pd-black to form the trans-olefins (trans-2-buten-1-ol and trans-2-penten-1-ol) and saturated alcohols (1-butanol and 1-pentanol, respectively). Silent (and magnetically stirred) experiments served as control experiments. As described in an earlier publication by our group, we have added an inert dopant, 1-propanol, in the reaction mixture to ensure the rapid onset of cavitation in the ultrasound-assisted reactions that can lead to altered selectivity compared to silent reaction systems [R.S. Disselkamp, Ya-Huei Chin, C.H.F. Peden, J. Catal. 227 (2004) 552]. Themore »« less
DOI: 10.1016/j.apcata.2005.04.040
Cropland Field Monitoring: MMV Page 1 Montana Cropland Enrolled Farm Fields Carbon Sequestration Field Sampling, Measurement, Monitoring, and Verification: Application of Visible-Near Infrared Diffuse Reflectance Spectroscopy (VNIR) and Laser-induced Breakdown Spectroscopy (LIBS)

Technical Report Lee Spangler ; Ross Bricklemyer ; David Brown

There is growing need for rapid, accurate, and inexpensive methods to measure, and verify soil organic carbon (SOC) change for national greenhouse gas accounting and the development of a soil carbon trading market. Laboratory based soil characterization typically requires significant soil processing, which is time and resource intensive. This severely limits application for large-region soil characterization. Thus, development of rapid and accurate methods for characterizing soils are needed to map soil properties for precision agriculture applications, improve regional and global soil carbon (C) stock and flux estimates and efficiently map sub-surface metal contamination, among others. The greatest gains for efficientmore »« less
DOI: 10.2172/1037876

Full Text Available
Determination of Leaf Water Content by Visible and Near-Infrared Spectrometry and Multivariate Calibration in Miscanthus

Journal Article Jin, Xiaoli ; Shi, Chunhai ; Yu, Chang Yeon ; ... - Frontiers in Plant Science

Leaf water content is one of the most common physiological parameters limiting efficiency of photosynthesis and biomass productivity in plants including Miscanthus. Therefore, it is of great significance to determine or predict the water content quickly and non-destructively. In this study, we explored the relationship between leaf water content and diffuse reflectance spectra in Miscanthus. Three multivariate calibrations including partial least squares (PLS), least squares support vector machine regression (LSSVR), and radial basis function (RBF) neural network (NN) were developed for the models of leaf water content determination. The non-linear models including RBF_LSSVR and RBF_NN showed higher accuracy than themore »« less
Cited by 1
DOI: 10.3389/fpls.2017.00721

Full Text Available
Quantitative infrared analysis of borophosphosilicate films using multivariate statistical methods

Journal Article Haaland, D.M. - Anal. Chem.; (United States)

Infrared (IR) spectroscopy can serve as a rapid method for the quantitative analysis of borophosphosilicate glass (BPSG) films on Si wafers for the microelectronics industry. The advantages of using statistically designed calibration sets are emphasized. Classical least-squares (CLS), partial least-squares (PLS), and principal component regression (PCR) methods are all found to provide improved precision over traditional peak-height measurements. The quantitative results from spectral measurements taken in transmission mode at both 0/sup 0/ and 60/sup 0/ incident angles were also compared. PLS and PCR methods yielded results that were comparable within the sampling error, and each exhibited a better analysis precisionmore »« less
DOI: 10.1021/ac00162a022

Similar Records

Title: Rapid Prediction of Low (<1%) trans Fat Content in Edible Oils and Fast Food Lipid Extracts by Infrared Spectroscopy and Partial Least Squares Regression: Detection of low trans fat content…

Citation Formats

Use of FTIR for Rapid Authentication and Detection of Adulteration of Food journal, April 2011

Developing a rapid and sensitive method for determination of trans-fatty acids in edible oils using middle-infrared spectroscopy journal, September 2014

Evaluation of the Performance of a Portable Mid-Infrared Analyzer for the Rapid Determination of Total Trans Fat in Fast Food journal, August 2014

Interference of Saturated Fats in the Determination of Low Levels of trans Fats (below 0.5%) by Infrared Spectroscopy journal, January 2007

Identification of Minor C18 Triene and Conjugated Diene Isomers in Hydrogenated Soybean Oil and Margarine by GC-MI-FT-IR Spectroscopy journal, August 1991

Application of a Novel, Heated, Nine-Reflection ATR Crystal and a Portable FTIR Spectrometer to the Rapid Determination of Total Trans Fat journal, September 2011

Potential for Onsite and Online Analysis of Pig Manure using Visible and Near Infrared Reflectance Spectroscopy journal, August 2005

Determination of trans fat in edible oils: current official methods and overview of recent developments journal, May 2013

Evaluation of low trans fat edible oils by attenuated total reflection-Fourier transform infrared spectroscopy and gas chromatography: a comparison of analytical approaches journal, June 2012

Near and mid infrared spectroscopy and multivariate data analysis in studies of oxidation of edible oils journal, November 2015

Prediction of various chemical parameters of olive oils with Fourier transform infrared spectroscopy journal, October 2015

Capillary electrophoresis with capacitively coupled contactless conductivity detection for the determination of cis/trans isomers of octadec-9-enoic acid and other long chain fatty acids journal, May 2013

Classification and quantification of palm oil adulteration via portable NIR spectroscopy journal, February 2017

Application of temperature-controlled attenuated total reflectance-mid-infrared (ATR-MIR) spectroscopy for rapid estimation of butter adulteration journal, August 2010

Rapid Prediction of Fatty Acid Content in Marine Oil Omega-3 Dietary Supplements Using a Portable Fourier Transform Infrared (FTIR) Device and Partial Least-Squares Regression (PLSR) Analysis journal, December 2016

Nutrition Labeling: Rapid Determination of Total trans Fats by Using Internal Reflection Infrared Spectroscopy and a Second Derivative Procedure journal, August 2009

Tutorial: Items to be included in a report on a near infrared spectroscopy project journal, April 2017

Characterization of fatty acid and triacylglycerol composition in animal fats using silver-ion and non-aqueous reversed-phase high-performance liquid chromatography/mass spectrometry and gas chromatography/flame ionization detection journal, October 2011

Detection of several common adulterants in raw milk by MID-infrared spectroscopy and one-class and multi-class multivariate strategies journal, September 2017

Quantitation of Saccharin and Cyclamate in Tabletop Formulations by Portable Raman and NIR Spectrometers in Combination with Partial Least Squares Regression journal, October 2017

Updated estimate of trans fat intake by the US population journal, June 2012

Simultaneous quantitative determination of isolated trans fatty acids and conjugated linoleic acids in oils and fats by chemometric analysis of the infrared profiles journal, December 2003

Statistical Methods for Assessing Agreement Between two Methods of Clinical Measurement journal, February 1986

Comprehensive two dimensional gas chromatographic separation of fatty acids methyl esters with online reduction journal, December 2014

An analysis of variance test for normality (complete samples) journal, December 1965

Profile of trans Fatty Acids (FAs) Including Trans Polyunsaturated FAs in Representative Fast Food Samples journal, April 2012

Use of FTIR for Rapid Authentication and Detection of Adulteration of Food
journal, April 2011

Developing a rapid and sensitive method for determination of trans-fatty acids in edible oils using middle-infrared spectroscopy
journal, September 2014

Evaluation of the Performance of a Portable Mid-Infrared Analyzer for the Rapid Determination of Total Trans Fat in Fast Food
journal, August 2014

Interference of Saturated Fats in the Determination of Low Levels of trans Fats (below 0.5%) by Infrared Spectroscopy
journal, January 2007

Identification of Minor C18 Triene and Conjugated Diene Isomers in Hydrogenated Soybean Oil and Margarine by GC-MI-FT-IR Spectroscopy
journal, August 1991

Application of a Novel, Heated, Nine-Reflection ATR Crystal and a Portable FTIR Spectrometer to the Rapid Determination of Total Trans Fat
journal, September 2011

Potential for Onsite and Online Analysis of Pig Manure using Visible and Near Infrared Reflectance Spectroscopy
journal, August 2005

Determination of trans fat in edible oils: current official methods and overview of recent developments
journal, May 2013

Evaluation of low trans fat edible oils by attenuated total reflection-Fourier transform infrared spectroscopy and gas chromatography: a comparison of analytical approaches
journal, June 2012

Near and mid infrared spectroscopy and multivariate data analysis in studies of oxidation of edible oils
journal, November 2015

Prediction of various chemical parameters of olive oils with Fourier transform infrared spectroscopy
journal, October 2015

Capillary electrophoresis with capacitively coupled contactless conductivity detection for the determination of cis/trans isomers of octadec-9-enoic acid and other long chain fatty acids
journal, May 2013

Classification and quantification of palm oil adulteration via portable NIR spectroscopy
journal, February 2017

Application of temperature-controlled attenuated total reflectance-mid-infrared (ATR-MIR) spectroscopy for rapid estimation of butter adulteration
journal, August 2010

Rapid Prediction of Fatty Acid Content in Marine Oil Omega-3 Dietary Supplements Using a Portable Fourier Transform Infrared (FTIR) Device and Partial Least-Squares Regression (PLSR) Analysis
journal, December 2016

Nutrition Labeling: Rapid Determination of Total trans Fats by Using Internal Reflection Infrared Spectroscopy and a Second Derivative Procedure
journal, August 2009

Tutorial: Items to be included in a report on a near infrared spectroscopy project
journal, April 2017

Characterization of fatty acid and triacylglycerol composition in animal fats using silver-ion and non-aqueous reversed-phase high-performance liquid chromatography/mass spectrometry and gas chromatography/flame ionization detection
journal, October 2011

Detection of several common adulterants in raw milk by MID-infrared spectroscopy and one-class and multi-class multivariate strategies
journal, September 2017

Quantitation of Saccharin and Cyclamate in Tabletop Formulations by Portable Raman and NIR Spectrometers in Combination with Partial Least Squares Regression
journal, October 2017

Updated estimate of trans fat intake by the US population
journal, June 2012

Simultaneous quantitative determination of isolated trans fatty acids and conjugated linoleic acids in oils and fats by chemometric analysis of the infrared profiles
journal, December 2003

Statistical Methods for Assessing Agreement Between two Methods of Clinical Measurement
journal, February 1986

Comprehensive two dimensional gas chromatographic separation of fatty acids methyl esters with online reduction
journal, December 2014

An analysis of variance test for normality (complete samples)
journal, December 1965

Profile of trans Fatty Acids (FAs) Including Trans Polyunsaturated FAs in Representative Fast Food Samples
journal, April 2012