Classification of Edible Oils Based on ATR-FTIR Spectral Information During a Long Heating Treatment

Mahboubifar, Marjan; Hemmateenejad, Bahram; Yousefinejad, Saeed

doi:10.5740/jaoacint.16-0412

Cited by 4 publications

(5 citation statements)

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“…The accuracy shows the ratio of the correct number of assessments to the number of all assessments. If all of the samples of a class are correctly recognised (true assigned), a sensitivity value is equal to 1 is obtained and if the samples do not belong to a class, they are never assigned to that class (true not‐assigned), specificity is equal to 1 37 …”

Section: Resultsmentioning

confidence: 99%

“…The specificity shows the number of true‐negative assessment portion in all negative assessments and measures how well the model can predict samples from the control class, while the sensitivity is a fraction of the number of true‐positive assessment to all positive assessments and describes how well the model is capable to correctly classify the samples of each class. The accuracy is another metric that shows the ratio of the correct number of assessments to the number of total assessments 37,38 …”

Section: Methodsmentioning

confidence: 99%

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Evaluation of adulteration in distillate samples of Rosa damascena Mill using colorimetric sensor arrays, chemometric tools and dispersive liquid–liquid microextraction‐GC‐MS

Mahboubifar

Hemmateenejad

Jassbi

2021

Phytochemical Analysis

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Introduction Rosa damascena Mill distillate and its essential oil are widely used in cosmetics, perfumes and food industries. Therefore, the methods of detection for its authentication is an important issue. Objectives We suggest colorimetric sensor array and chemometric methods to discriminate natural Rosa distillate from synthetic adulterates. Material and methods The colour responses of 20 indicators spotted on polyvinylidene fluoride (PVDF) substrate were monitored with a flatbed scanner; then their digital representation was analysed with principal component analysis (PCA), partial least squares‐discriminant analysis (PLS‐DA) and soft independent modelling of class analogy (SIMCA). Results Accurate discrimination of the diluted‐ and synthetic‐mixture samples from the original ones was achieved by PLS‐DA and SIMCA models with error rate of 0.01 and 0, specificity of 0.98 and 1, sensitivity of 1 and 1, and accuracy of 0.98 and 0.96, respectively. Discrimination of the synthetic adulterate from the original samples was achieved with error rate of 0.03 and 0.03, specificity of 0.94 and 0.93, sensitivity of 1 and 1, and accuracy of 0.93 and 0.71 with PLS‐DA and SIMCA models, respectively. Moreover, the chemical constituents of the samples were analysed using dispersive liquid–liquid microextraction and gas chromatography‐mass spectrometry (GC‐MS). The main constituents of the distillate were geraniol, citronellol, and phenylethyl alcohol in different percentages, in both original and synthetic adulterate samples. Conclusion These results point out the successful combination of colorimetric sensor array and PLS‐DA and SIMCA as a fast, sensitive and inexpensive screening tool for discrimination of original samples of R. damascena Mill distillate from those prepared from synthetic Rosa essential oils.

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Section: Resultsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Evaluation of adulteration in distillate samples of Rosa damascena Mill using colorimetric sensor arrays, chemometric tools and dispersive liquid–liquid microextraction‐GC‐MS

Mahboubifar

Hemmateenejad

Jassbi

2021

Phytochemical Analysis

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“…ATR-FTIR spectroscopy is an effective and sensitive method for edible oil classification. It has been successfully exploited to monitor the molecular changes in terms of dominant functional groups occurring in severely oxidized oils 26 . The ATR-FTIR spectrum of Mann-S1 is compared to that of authentic EVOO in Fig.…”

Section: Resultsmentioning

confidence: 99%

Olive oil from the 79 A.D. Vesuvius eruption stored at the Naples National Archaeological Museum (Italy)

et al. 2020

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Using a range of chromatographic, spectroscopic, and mass spectrometric analytical techniques, we characterized one of the “edible items” found at the Vesuvius archeological sites and guarded at the National Archaeological Museum of Naples (MANN) in Naples, Italy. We authenticated the specimen contained in a glass bottle (Mann-S1 sample) as originally olive oil and mapped the deep evolution throughout its 2000 years of storage. Triacylglycerols were completely hydrolyzed, while the resulting (hydroxy) fatty acids had partly condensed into rarely found estolides. A complex pattern of volatile compounds arose mainly from breakdown of oleic acid. With excellent approximation, radiocarbon dating placed the find at the time of the Plinian Mount Vesuvius eruption in 79 A.D., indicating that Mann-S1 is probably the oldest residue of olive oil in the world found in bulk amount (nearly 0.7 L).

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“…The results showed that the combination of ATR-FTIR spectroscopy and chemometrics was effective in distinguishing between these oils. Another example is the classification of edible oils based on ATR-FTIR spectral information during a long heating treatment . This study used a combination of ATR-FTIR spectroscopy and chemometrics to monitor the changes in the chemical composition of different edible oils during heating.…”

Section: Introductionmentioning

confidence: 99%

“…Another example is the classification of edible oils based on ATR-FTIR spectral information during a long heating treatment. 19 This study used a combination of ATR-FTIR spectroscopy and chemometrics to monitor the changes in the chemical composition of different edible oils during heating. The results showed that the ATR-FTIR spectroscopy and chemometrics approach was effective in detecting changes in the chemical composition of the oils during heating.…”

Section: Introductionmentioning

confidence: 99%

Partial Least Squares-Discriminant Analysis Classification for Patchouli Oil Adulteration Detection by Fourier Transform Infrared Spectroscopy in Combination with Chemometrics

et al. 2023

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This study aims to test chemometrically partial least squares-discriminant analysis (PLS-DA) classification models to detect the adulteration of patchouli oil (PO) with gurjun balsam oil (GBO) by utilization of Fourier transform infrared spectroscopy. Unsupervised analysis was tested using the pattern recognition method using the principal component analysis model against the original spectrum at wavenumbers 4000–500 cm–1 and at the fingerprint area (1800–600 cm–1). Model testing was also carried out on the spectrum that had been pre-processed using the standard normal variate, second derivative Savitzky–Golay, and normalization approaches. Variable Y samples used were certified reference material (CRM), PO, GBO, and PO forged with GBO (PGBO) with a counterfeiting ratio of 0.5 (v/v) to 10% (v/v) with an interval of 0.5%. The same treatment was carried out on testing of the PLS-DA model. In pattern recognition tests, the best separation of the original spectrum was obtained at wavenumbers 1800–600 cm–1. The model was further tested on PLS-DA by making assumptions or codes for CRM, PO, GBO, and PGBO as +2, +1, 0, and −1, respectively. The results of the model analysis showed that even at the lowest counterfeiting ratio (0.5%), the presence of counterfeiting material was detected by the PLS-DA model. The RMSEC value is close to zero with a value of 0.22, and the R square is close to 1, which is 0.954. This very significant separation is clearly illustrated in the loading plot and bi-plot due to the contribution of chemical compounds in the GBO that undergo vibration at wavenumbers 603, 786, and 1386 cm–1. Validation of the PLS-DA model was carried out strongly using the PLS model, and it showed that the difference between the calibration concentration and the prediction was very low (average 0.45) with an accuracy percent above 99%. The efficacy of the model is further substantiated by the consistent and precise values of sensitivity and selectivity, obtained from both the training set and test set.

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Classification of Edible Oils Based on ATR-FTIR Spectral Information During a Long Heating Treatment

Cited by 4 publications

References 0 publications

Evaluation of adulteration in distillate samples of Rosa damascena Mill using colorimetric sensor arrays, chemometric tools and dispersive liquid–liquid microextraction‐GC‐MS

Evaluation of adulteration in distillate samples of Rosa damascena Mill using colorimetric sensor arrays, chemometric tools and dispersive liquid–liquid microextraction‐GC‐MS

Olive oil from the 79 A.D. Vesuvius eruption stored at the Naples National Archaeological Museum (Italy)

Partial Least Squares-Discriminant Analysis Classification for Patchouli Oil Adulteration Detection by Fourier Transform Infrared Spectroscopy in Combination with Chemometrics

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