Quantitative determination of fatty acid compositions in micro-encapsulated fish-oil supplements using Fourier transform infrared (FTIR) spectroscopy

Jitraporn Vongsvivut, Philip Robert Heraud, Wei Zhang, Jaroslav A Kralovec, Donald McNaughton, Colin J Barrow

Research output: Contribution to journalArticleResearchpeer-review

Abstract

The research describes a rapid method for the determination of fatty acid (FA) contents in a micro-encapsulated fish-oil (mu EFO) supplement by using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic technique and partial least square regression (PLSR) analysis. Using the ATR-FTIR technique, the mu EFO powder samples can be directly analysed without any pre-treatment required, and our developed PLSR strategic approach based on the acquired spectral data led to production of a good linear calibration with R-2 = 0.99. In addition, the subsequent predictions acquired from an independent validation set for the target FA compositions (i.e., total oil, total omega-3 fatty acids, EPA and DHA) were highly accurate when compared to the actual values obtained from standard GC-based technique, with plots between predicted versus actual values resulting in excellent linear fitting (R-2 >= 0.96) in all cases. The study therefore demonstrated not only the substantial advantage of the ATR-FTIR technique in terms of rapidness and cost effectiveness, but also its potential application as a rapid, potentially automated, online monitoring technique for the routine analysis of FA composition in industrial processes when used together with the multivariate data analysis modelling.
Original languageEnglish
Pages (from-to)603 - 609
Number of pages7
JournalFood Chemistry
Volume135
Issue number2
DOIs
Publication statusPublished - 2012

Cite this

@article{c0c52566d7f64f76928abc2ca14f25e5,
title = "Quantitative determination of fatty acid compositions in micro-encapsulated fish-oil supplements using Fourier transform infrared (FTIR) spectroscopy",
abstract = "The research describes a rapid method for the determination of fatty acid (FA) contents in a micro-encapsulated fish-oil (mu EFO) supplement by using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic technique and partial least square regression (PLSR) analysis. Using the ATR-FTIR technique, the mu EFO powder samples can be directly analysed without any pre-treatment required, and our developed PLSR strategic approach based on the acquired spectral data led to production of a good linear calibration with R-2 = 0.99. In addition, the subsequent predictions acquired from an independent validation set for the target FA compositions (i.e., total oil, total omega-3 fatty acids, EPA and DHA) were highly accurate when compared to the actual values obtained from standard GC-based technique, with plots between predicted versus actual values resulting in excellent linear fitting (R-2 >= 0.96) in all cases. The study therefore demonstrated not only the substantial advantage of the ATR-FTIR technique in terms of rapidness and cost effectiveness, but also its potential application as a rapid, potentially automated, online monitoring technique for the routine analysis of FA composition in industrial processes when used together with the multivariate data analysis modelling.",
author = "Jitraporn Vongsvivut and Heraud, {Philip Robert} and Wei Zhang and Kralovec, {Jaroslav A} and Donald McNaughton and Barrow, {Colin J}",
year = "2012",
doi = "10.1016/j.foodchem.2012.05.012",
language = "English",
volume = "135",
pages = "603 -- 609",
journal = "Food Chemistry",
issn = "0308-8146",
publisher = "Elsevier",
number = "2",

}

Quantitative determination of fatty acid compositions in micro-encapsulated fish-oil supplements using Fourier transform infrared (FTIR) spectroscopy. / Vongsvivut, Jitraporn; Heraud, Philip Robert; Zhang, Wei; Kralovec, Jaroslav A; McNaughton, Donald; Barrow, Colin J.

In: Food Chemistry, Vol. 135, No. 2, 2012, p. 603 - 609.

Research output: Contribution to journalArticleResearchpeer-review

TY - JOUR

T1 - Quantitative determination of fatty acid compositions in micro-encapsulated fish-oil supplements using Fourier transform infrared (FTIR) spectroscopy

AU - Vongsvivut, Jitraporn

AU - Heraud, Philip Robert

AU - Zhang, Wei

AU - Kralovec, Jaroslav A

AU - McNaughton, Donald

AU - Barrow, Colin J

PY - 2012

Y1 - 2012

N2 - The research describes a rapid method for the determination of fatty acid (FA) contents in a micro-encapsulated fish-oil (mu EFO) supplement by using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic technique and partial least square regression (PLSR) analysis. Using the ATR-FTIR technique, the mu EFO powder samples can be directly analysed without any pre-treatment required, and our developed PLSR strategic approach based on the acquired spectral data led to production of a good linear calibration with R-2 = 0.99. In addition, the subsequent predictions acquired from an independent validation set for the target FA compositions (i.e., total oil, total omega-3 fatty acids, EPA and DHA) were highly accurate when compared to the actual values obtained from standard GC-based technique, with plots between predicted versus actual values resulting in excellent linear fitting (R-2 >= 0.96) in all cases. The study therefore demonstrated not only the substantial advantage of the ATR-FTIR technique in terms of rapidness and cost effectiveness, but also its potential application as a rapid, potentially automated, online monitoring technique for the routine analysis of FA composition in industrial processes when used together with the multivariate data analysis modelling.

AB - The research describes a rapid method for the determination of fatty acid (FA) contents in a micro-encapsulated fish-oil (mu EFO) supplement by using attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopic technique and partial least square regression (PLSR) analysis. Using the ATR-FTIR technique, the mu EFO powder samples can be directly analysed without any pre-treatment required, and our developed PLSR strategic approach based on the acquired spectral data led to production of a good linear calibration with R-2 = 0.99. In addition, the subsequent predictions acquired from an independent validation set for the target FA compositions (i.e., total oil, total omega-3 fatty acids, EPA and DHA) were highly accurate when compared to the actual values obtained from standard GC-based technique, with plots between predicted versus actual values resulting in excellent linear fitting (R-2 >= 0.96) in all cases. The study therefore demonstrated not only the substantial advantage of the ATR-FTIR technique in terms of rapidness and cost effectiveness, but also its potential application as a rapid, potentially automated, online monitoring technique for the routine analysis of FA composition in industrial processes when used together with the multivariate data analysis modelling.

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VL - 135

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JO - Food Chemistry

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