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Food Analytical Methods

, Volume 12, Issue 2, pp 355–370 | Cite as

Attenuated Total Reflectance–Fourier Transform Infrared (ATR–FTIR) Spectroscopy Combined with Chemometrics for Rapid Determination of Cold-Pressed Wheat Germ Oil Adulteration

  • Fatma Nur ArslanEmail author
  • Fethi Çağlar
Article
  • 86 Downloads

Abstract

This paper describes the feasibility of attenuated total reflectance–Fourier transform infrared (ATR–FTIR) spectroscopy combined with multivariate data analyses for rapid determination of cold-pressed wheat germ oil (WGO) adulteration. Thirty-six pure edible oils, as well as 216 binary blends of WGO adulterated with cheaper refined oils, sunflower (SFO), and soybean oil (SBO) (1–50%) were analyzed by using ATR–FTIR spectroscopy in combination with PCA, LDA, SIMCA, and PLSR analyses. SIMCA models provide excellent classification for pure cold-pressed WGO and refined edible oil samples, with 95% significance level. The classification limits for detection of SFO and SBO adulterations in WGO were below 1%. Furthermore, a total of 100% of studied samples were correctly classified on the basis of their origin in calibration and in cross-validation by LDA models. Under the optimum conditions, the PLS–R plots of actual versus predicted values exhibited high linearity (R2 > 0.9990). The content of SFO and SBO adulterants has been successively quantified using PLSR at levels < 0.56% and < 0.99% in an unknown mixture. RMSEC and RMSECV values for the binary mixtures of WGO–SFO were between 0.56–1.98% and 0.68–4.46%, for the binary mixtures of WGO–SBO were between 0.99–1.77% and 1.09–5.12%, respectively.

Keywords

Adulteration Wheat germ oil Spectroscopy Chemometrics 

Abbreviations

ATR

Attenuated total reflectance

CSO

Cotton seed oil

FAME

Fatty acid methyl ester

FID

Flame ionization detector

FT–IR

Fourier transform infrared

GC

Gas chromatography

HNO

Hazelnut oil

OO

Olive oil

PCA

Principal component analysis

PLS–R

Partial least squares regression

RMSEC

Root mean square error of calibration

RMSECV

Root mean square error of cross validation

SBO

Soybean oil

SFO

Sunflower oil

SIMCA

Soft independent modeling of class analogies

WGO

Wheat germ oil

LDA

Linear discriminant analysis

FA

Fatty acids

PUFA

Polyunsaturated fatty acids

MUFA

Monounsaturated fatty acids

SFA

Saturated fatty acids

PC

Principle component

SNV

Standard normal variate

Notes

Funding

The present study is a part of the master thesis entitled “Development of chromatographic and molecular spectroscopic multivariate chemometric models for the determination of cold pressed wheat germ oil adulteration with refined vegetable oils.” This study is supported financially by the Scientific Research Project Center of Karamanoglu Mehmetbey University (Project number 18-M-17). The authors would also like to thank TUBITAK under the 2219–Research Fellowship Program for International Postdoctoral for providing the financial support to carry out this research work.

Compliance with Ethical Standards

Conflict of Interest

Fatma Nur Arslan declares that she has no conflict of interest. Fethi Çağlar declares that he has no conflict of interest.

Ethical Approval

All procedures performed in studies involving human participants were in accordance with the ethical standards of the institutional and/or national research committee and with the 1964 Helsinki Declaration and its later amendments or comparable ethical standards.

Informed Consent

Informed consent was obtained from all individual participants included in the study.

Supplementary material

12161_2018_1368_MOESM1_ESM.docx (5.3 mb)
ESM 1 (DOCX 5.34 mb)

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Department of Chemistry, Faculty of ScienceUniversity of Karamanoglu MehmetbeyKaramanTurkey
  2. 2.Van’t Hoff Institute for Molecular Sciences, Analytical Chemistry GroupUniversity of AmsterdamAmsterdamNetherlands

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