The employment of FTIR spectroscopy and chemometrics for authentication of
pumpkin seed oil from sesame oil

Irnawati, Irnawati; Riyanto, Sugeng; Martono, Sudibyo; Rohman, Abdul

doi:10.26656/fr.2017.4(1).198

Cited by 11 publications

(11 citation statements)

References 21 publications

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“…In the fingerprint region, the stretching vibrations of aliphatic and olefinic functional groups were observed. The triglyceride absorption peaks, as major components of edible oils were dominant, with absorptions 2922-2924 cm −1 (C-H asymmetric stretching), 2852 cm −1 (C-H symmetric stretching), 1454 cm −1 (C-H bending (scissoring), 1166 cm −1 (C-O stretching and C-H bending), and 719-721, 790 cm −1 (C-H and -HC=CH-bending) in agreement with different literature data [6,31,40,53]. The chemometric techniques, such as PCA and PLS, using Unscrambler were adopted to systematically classify these edible oils based on their FTIR spectra.…”

Section: Atr-ftir-mir Spectra Fingerprintssupporting

confidence: 90%

Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) Coupled with Chemometrics, to Control the Botanical Authenticity and Quality of Cold-Pressed Functional Oils Commercialized in Romania

et al. 2020

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Attenuated total reflectance-Fourier transform infrared ppectroscopy (ATR-FTIR) proved to be a reliable, rapid, and easy-to-use technique to evaluate vegetable oils quality and authenticity. The spectral range of the middle infrared region (MIR) of FTIR spectra, from 4000 to 600 cm−1, has been commonly used to fingerprint specific functional groups of lipids and their modified forms induced by oxidation of thermal treatment. The applicability of FTIR-MIR spectroscopy in assessing oil fingerprinting and quality parameters is crucially dependent on the chemometric methods, including calibrations with authentic samples. We report here the evaluation of seven types of cold-pressed functional oils (sunflower, pumpkin, hempseed, soybean, walnut, linseed, sea buckthorn) produced in Romania, provided directly from small enterprises (as genuine, process-controlled authentic samples) comparative to commercialized samples. Concomitantly, olive oils of similar claimed quality were investigated. The ATR-FTIR-MIR data were complemented by UV–Vis spectral fingerprints and multivariate analysis using Unscrambler X.10.4 and Metaboanalyst 4.0 software (e.g., PCA, PLSDA, cluster analysis, heatmap, Random forest analysis) and ANOVA post-hoc analysis using Fischer’s least significant difference. The integration of spectral and chemometric analysis proved to offer valuable criteria for their botanical group recognition, individual authenticity, and quality, easy to be applied for large cohorts of commercialized oils.

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Section: Atr-ftir-mir Spectra Fingerprintssupporting

confidence: 90%

Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) Coupled with Chemometrics, to Control the Botanical Authenticity and Quality of Cold-Pressed Functional Oils Commercialized in Romania

et al. 2020

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“…In the quantification analysis, a series of calibration and validation or prediction samples with known concentrations of CNO and EOCM were prepared as in Irnawati et al (2020). For preparing the calibration samples, twenty-one samples consisting of EOCM in the binary mixtures with CNO at concentration ranges of 0-100.0% v/v were made.…”

Section: Preparation Of Calibration and Validation Samplesmentioning

confidence: 99%

The employment of FTIR spectroscopy and chemometrics for authentication of essential oil of Curcuma mangga from candle nut oil

Khudzaifi¹,

Retno²,

Rohman³

2019

Food Res.

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The adulteration of high price oil such as essential oil of Curcuma mangga Val. (EOCM) with lower price oil is common to get economical profit. This study was to investigate the authentication of EOCM toward candlenut oil (CNO) using FTIR spectroscopy combined with multivariate calibration and discriminant analysis. The selection of CNO as adulterant oil model was due to its close similarity to EOCM in terms of FTIR spectra. Besides, EOCM has similar color with CNO, therefore, CNO is potential adulterant toward EOCM. Two multivariate calibrations of partial least square regression (PLSR) and principle component regression (PCR) along with FTIR spectra (normal versus derivatization) were optimized to get prediction models for quantification. The results showed that the combination of PLSR and normal FTIR spectra at optimized wavenumbers of 1614-1068 cm-1 was capable of predicting the levels of EOCM adulterated with CNO. Discriminant analysis was also success to differentiate the classification of EOCM and EOCM adulterated with CNO with accuracy levels of 100%. Using FTIR spectroscopy for oil authentication is rapid, simple without any chemicals, solvents, and sample preparation so that this technique is considered as a green analytical method.

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“…The selection of PSO, SEO and RBO in ternary mixtures was based on the similarity of these three FTIR spectra based on principal component analysis (PCA). These oils had the similar score plot both in the first principle components (PC1) and the second principle component (PC2), therefore they are similar in variables used in PCA (Irnawati et al, 2020).…”

Section: Resultsmentioning

confidence: 93%

“…In this study, the combination of FTIR spectroscopy and multivariate analysis (calibration in multivariate modes and discriminant analysis) for the determination of three functional edible oils of SEO, PSO, and RBO. The selection of these three oils was based on the similarity in terms of FTIR spectra as analyzed using chemometrics of principal component analysis (PCA) exploiting the absorbance values as variables (Irnawati et al, 2020).…”

Section: Introductionmentioning

confidence: 99%

Determination of sesame oil, rice bran oil and pumpkin seed oil in ternary mixtures using FTIR spectroscopy and multivariate calibrations

Irnawati¹,

Riyanto²,

Martono³

et al. 2019

Food Res.

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Pumpkin seed oil (PSO), rice bran oil (RBO), sesame oil (SEO) are considered as functional oils due to its biological activities which are beneficial to human health, as a consequence, these oils had the higher price. This attracted unethical players to blend these oils with lower price oils, therefore, its authentication by analysis of purity levels of oils is very important. This study highlighted the potential application of FTIR spectroscopy and multivariate calibrations for analysis of PSO, RBO, and SEO in ternary mixtures. Individual FTIR spectra of studied oils as well as in ternary mixtures with certain compositions were scanned and pre-processed. Two multivariate calibrations of principle component regression (PCR) and partial least square regression (PLSR) were compared and used to build the prediction models at optimized FTIR spectra regions. The selection of multivariate calibrations, wavenumbers region, and FTIR spectra modes was based on the statistical parameters of highest R2 and lowest values of root mean square error of calibration (RMSEC) and root mean square error of prediction (RMSEP). The results showed that PLSR using second derivative FTIR spectra at wavenumbers region of 3100-2750 and 1500-663 cm-1 was used to predict the levels of PSO in ternary mixtures with RBO and SEO with R2 > 0.99 in calibration and validation models along with RMSEC value of 0.0054% and RMSEP of 0.0179%. FTIR spectra using the second and first derivatives at wavenumbers of 3100-650 cm-1 were used for prediction of RBO and SEO in ternary mixture with PSO, respectively. It can be concluded that FTIR spectra combined with PLSR at certain wavenumbers region are accurate as indicated by high R2 values and precise as indicated by low values of RMSEC and RMSEP for analysis of PSO, RBO and SEO in ternary mixtures.

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The employment of FTIR spectroscopy and chemometrics for authentication of pumpkin seed oil from sesame oil

Cited by 11 publications

References 21 publications

Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) Coupled with Chemometrics, to Control the Botanical Authenticity and Quality of Cold-Pressed Functional Oils Commercialized in Romania

Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) Coupled with Chemometrics, to Control the Botanical Authenticity and Quality of Cold-Pressed Functional Oils Commercialized in Romania

The employment of FTIR spectroscopy and chemometrics for authentication of essential oil of Curcuma mangga from candle nut oil

Determination of sesame oil, rice bran oil and pumpkin seed oil in ternary mixtures using FTIR spectroscopy and multivariate calibrations

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