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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 the fresh and used canola oil.
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fig2: FTIR spectra of the fresh and used canola oil.

Mentions: Figure 2 shows the FTIR spectra of fresh and used canola oil. The entire range of spectra looks very similar for the fresh (before frying) and used oils (after frying). However, if one examines the spectra closely, differences between fresh and used canola oil samples are observed at the typical characteristic of absorption bands around 2922, 2852, 1743, and 1157 cm−1. In addition, the weak absorption at 966 cm−1 observed in used oil samples may be due to the C-H out-of-plane deformation of isolated trans double bonds or some trans conjugated unsaturated fatty acids [15, 16, 20, 27, 28]. There was an obvious difference in absorption intensity at around 966 cm−1 between the fresh (before frying) and the used oils (after frying). The peak intensity at 966 cm−1 exhibited a slight increase in used frying oils compared with the fresh oil. Thus, it can be seen that much information about the degradation of frying oils can be obtained from the entire range of FTIR spectra.


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 the fresh and used canola oil.
© Copyright Policy - open-access
Related In: Results  -  Collection

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

fig2: FTIR spectra of the fresh and used canola oil.
Mentions: Figure 2 shows the FTIR spectra of fresh and used canola oil. The entire range of spectra looks very similar for the fresh (before frying) and used oils (after frying). However, if one examines the spectra closely, differences between fresh and used canola oil samples are observed at the typical characteristic of absorption bands around 2922, 2852, 1743, and 1157 cm−1. In addition, the weak absorption at 966 cm−1 observed in used oil samples may be due to the C-H out-of-plane deformation of isolated trans double bonds or some trans conjugated unsaturated fatty acids [15, 16, 20, 27, 28]. There was an obvious difference in absorption intensity at around 966 cm−1 between the fresh (before frying) and the used oils (after frying). The peak intensity at 966 cm−1 exhibited a slight increase in used frying oils compared with the fresh oil. Thus, it can be seen that much information about the degradation of frying oils can be obtained from the entire range of FTIR spectra.

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