Evaluation of FT-IR spectroscopy combined with SIMCA and PLS‑DA for detection of adulterants in pistachio butter

Khanban, Fatemeh; Garmarudi, Amir Bagheri; Parastar, Hadi; Tóth, Gergely

doi:10.1016/j.infrared.2022.104369

Cited by 12 publications

(7 citation statements)

References 33 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The PLS-DA method correlates with the ATR-FTIR spectrum of each sample group. The validation technique used is the cross-validation method, including internal validation …”

Section: Resultsmentioning

confidence: 99%

“…The cleanliness of the ATR plate is monitored with gather background spectrum and compared to the previous one. This spectrum was recorded as the absorbance value at each data point with five replications. ,, …”

Section: Methodsmentioning

confidence: 99%

“…The validation technique used is the cross-validation method, including internal validation. 11 The spectral area used in the PLS-DA analysis is the same as the PCA, which is in the wavenumber range of 1800−500 cm −1 . The argument is that the use of the entire region of the vibrational spectrum does not guarantee that a good multivariate classification model will be obtained because many of the wavenumbers do not have the necessary information so they have the potential to be sources of interference at the stages of model formation.…”

Section: Classification With Partial Least Squares-discriminant Analy...mentioning

confidence: 99%

“…The search for an effective and accessible solution is crucial in maintaining the quality and integrity of PO and protecting both producers and consumers. 11 Based on these problems, it is necessary to identify early the existence of PO forgery by providing technology that can present the results of comparative analysis quickly and accurately and is non-destructive but affordable for farmers. Research that supports the realization of the abovementioned plans has been carried out a lot, including studies on the influence of the chemical composition of PO on differences in harvest seasons 12 and differences in sample preparation and length of extraction time.…”

Section: Introductionmentioning

confidence: 99%

“…Research continues, but current methods like gas chromatography–mass spectroscopy (GC–MS) also have limitations in terms of cost and expertise needed to operate. The search for an effective and accessible solution is crucial in maintaining the quality and integrity of PO and protecting both producers and consumers …”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

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

et al. 2023

View full text Add to dashboard Cite

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.

show abstract

“…The PLS-DA method correlates with the ATR-FTIR spectrum of each sample group. The validation technique used is the cross-validation method, including internal validation …”

Section: Resultsmentioning

confidence: 99%