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Determination of the degree of degradation of frying rapeseed oil using fourier-transform infrared spectroscopy combined with partial least-squares regression.

Chen JY, Zhang H, Ma J, Tuchiya T, Miao Y - Int J Anal Chem (2015)

Bottom Line: One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanned by an FTIR spectrometer using attenuated total reflectance (ATR).The precise calibration model based on the second derivative FTIR spectra shows that the coefficients of determination for calibration (R (2)) and standard errors of cross validation (SECV) were 0.99 and 0.16 mg KOH/g and 0.98 and 1.17% for AV and TPC, respectively.The accuracy of the calibration model, tested using the validation set, yielded standard errors of prediction (SEP) of 0.16 mg KOH/g and 1.10% for AV and TPC, respectively.

View Article: PubMed Central - PubMed

Affiliation: Faculty of Bioresource Sciences, Akita Prefectural University, Akita 010-0195, Japan.

ABSTRACT
This rapid method for determining the degree of degradation of frying rapeseed oils uses Fourier-transform infrared (FTIR) spectroscopy combined with partial least-squares (PLS) regression. One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanned by an FTIR spectrometer using attenuated total reflectance (ATR). PLS regression with full cross validation was used for the prediction of acid value (AV) and total polar compounds (TPC) based on raw, first, and second derivative FTIR spectra (4000-650 cm(-1)). The precise calibration model based on the second derivative FTIR spectra shows that the coefficients of determination for calibration (R (2)) and standard errors of cross validation (SECV) were 0.99 and 0.16 mg KOH/g and 0.98 and 1.17% for AV and TPC, respectively. The accuracy of the calibration model, tested using the validation set, yielded standard errors of prediction (SEP) of 0.16 mg KOH/g and 1.10% for AV and TPC, respectively. Therefore, the degradation of frying oils can be accurately measured using FTIR spectroscopy combined with PLS regression.

No MeSH data available.


Related in: MedlinePlus

FTIR spectra of canola (CO) and Kizakinonatane (KO) frying oil samples.
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Related In: Results  -  Collection


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fig1: FTIR spectra of canola (CO) and Kizakinonatane (KO) frying oil samples.

Mentions: Figure 1 shows the FTIR spectra of fresh canola oil and rapeseed Kizakinonatane oil. To the naked eye, the entire ranges of spectra of the two oils look similar. These spectra showed the typical characteristic of absorption bands similar to those reported in previous studies [15, 16, 20, 27]. The most prominent absorption band at 1743 cm−1 can be assigned to the C=O stretching of aliphatic esters [15, 16, 20, 27]. The strong bands at around 2922 and 2852 cm−1 can be ascribed to the asymmetrical and symmetrical C-H stretching vibrations of CH2 groups. The band at around 1157 cm−1 can be assigned to the stretching of the C-O bonds of aliphatic esters [15, 16, 20, 27].


Determination of the degree of degradation of frying rapeseed oil using fourier-transform infrared spectroscopy combined with partial least-squares regression.

Chen JY, Zhang H, Ma J, Tuchiya T, Miao Y - Int J Anal Chem (2015)

FTIR spectra of canola (CO) and Kizakinonatane (KO) frying oil samples.
© Copyright Policy - open-access
Related In: Results  -  Collection

Show All Figures
getmorefigures.php?uid=PMC4353439&req=5

fig1: FTIR spectra of canola (CO) and Kizakinonatane (KO) frying oil samples.
Mentions: Figure 1 shows the FTIR spectra of fresh canola oil and rapeseed Kizakinonatane oil. To the naked eye, the entire ranges of spectra of the two oils look similar. These spectra showed the typical characteristic of absorption bands similar to those reported in previous studies [15, 16, 20, 27]. The most prominent absorption band at 1743 cm−1 can be assigned to the C=O stretching of aliphatic esters [15, 16, 20, 27]. The strong bands at around 2922 and 2852 cm−1 can be ascribed to the asymmetrical and symmetrical C-H stretching vibrations of CH2 groups. The band at around 1157 cm−1 can be assigned to the stretching of the C-O bonds of aliphatic esters [15, 16, 20, 27].

Bottom Line: One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanned by an FTIR spectrometer using attenuated total reflectance (ATR).The precise calibration model based on the second derivative FTIR spectra shows that the coefficients of determination for calibration (R (2)) and standard errors of cross validation (SECV) were 0.99 and 0.16 mg KOH/g and 0.98 and 1.17% for AV and TPC, respectively.The accuracy of the calibration model, tested using the validation set, yielded standard errors of prediction (SEP) of 0.16 mg KOH/g and 1.10% for AV and TPC, respectively.

View Article: PubMed Central - PubMed

Affiliation: Faculty of Bioresource Sciences, Akita Prefectural University, Akita 010-0195, Japan.

ABSTRACT
This rapid method for determining the degree of degradation of frying rapeseed oils uses Fourier-transform infrared (FTIR) spectroscopy combined with partial least-squares (PLS) regression. One hundred and fifty-six frying oil samples that degraded to different degrees by frying potatoes were scanned by an FTIR spectrometer using attenuated total reflectance (ATR). PLS regression with full cross validation was used for the prediction of acid value (AV) and total polar compounds (TPC) based on raw, first, and second derivative FTIR spectra (4000-650 cm(-1)). The precise calibration model based on the second derivative FTIR spectra shows that the coefficients of determination for calibration (R (2)) and standard errors of cross validation (SECV) were 0.99 and 0.16 mg KOH/g and 0.98 and 1.17% for AV and TPC, respectively. The accuracy of the calibration model, tested using the validation set, yielded standard errors of prediction (SEP) of 0.16 mg KOH/g and 1.10% for AV and TPC, respectively. Therefore, the degradation of frying oils can be accurately measured using FTIR spectroscopy combined with PLS regression.

No MeSH data available.


Related in: MedlinePlus