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

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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.

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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

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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.

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Correspondence to Fatma Nur Arslan.

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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.

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Arslan, F.N., Çağlar, F. Attenuated Total Reflectance–Fourier Transform Infrared (ATR–FTIR) Spectroscopy Combined with Chemometrics for Rapid Determination of Cold-Pressed Wheat Germ Oil Adulteration. Food Anal. Methods 12, 355–370 (2019). https://doi.org/10.1007/s12161-018-1368-x

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  • DOI: https://doi.org/10.1007/s12161-018-1368-x

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