Determination of ethyl octanoate in Chinese liquor using FT-NIR spectroscopy

Han S., . and Dong X., . and Li X., . and Li P., . and Liu J., . and Xu B., . and Xie A., . and Luo D., . Determination of ethyl octanoate in Chinese liquor using FT-NIR spectroscopy. pp. 199-206. ISSN 22317546

To quantitatively detect ethyl octanoate in Chinese liquor Fourier-transform near-infrared (FT-NIR) spectroscopy was performed in the present work with 162 Chinese liquor samples selected from Luoyang Dukang Distillery. The chemical values of ethyl octanoate were determined by gas chromatography (GC) and spectral data from 12 000 to 4000 cm-1 were collected. The calibration model was established with partial least squares (PLS) regression and then validated using internal cross-validation. The predictability of the model was further confirmed by the validation set as external validation. After comparing the effects of the models set up with sample data under different pre-processing methods the model was built within the spectral region of 6101.7 - 5449.8 cm-; based on the SNV pre-processing method which was selected as the optimal model. The coefficient of determination (R ) for cross-validation of the model was 0.9507 and the corresponding root mean square errors of cross-validation (RMSECV) was 3.91 mg L-. The R for external validation was 0.9537 and the root mean square errors of prediction (RMSEP) was 3.62 mg L-. The results demonstrated that using NIR spectroscopy to determine ethyl octanoate in Chinese liquor is feasible and can achieve satisfactory results.

Full text available from: Official URL: http://www.ifrj.upm.edu.my/28%20(01)%202021/DONE%2...

Abstract

To quantitatively detect ethyl octanoate in Chinese liquor Fourier-transform near-infrared (FT-NIR) spectroscopy was performed in the present work with 162 Chinese liquor samples selected from Luoyang Dukang Distillery. The chemical values of ethyl octanoate were determined by gas chromatography (GC) and spectral data from 12 000 to 4000 cm-1 were collected. The calibration model was established with partial least squares (PLS) regression and then validated using internal cross-validation. The predictability of the model was further confirmed by the validation set as external validation. After comparing the effects of the models set up with sample data under different pre-processing methods the model was built within the spectral region of 6101.7 - 5449.8 cm-; based on the SNV pre-processing method which was selected as the optimal model. The coefficient of determination (R ) for cross-validation of the model was 0.9507 and the corresponding root mean square errors of cross-validation (RMSECV) was 3.91 mg L-. The R for external validation was 0.9537 and the root mean square errors of prediction (RMSEP) was 3.62 mg L-. The results demonstrated that using NIR spectroscopy to determine ethyl octanoate in Chinese liquor is feasible and can achieve satisfactory results.

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Item Type:	Article
AGROVOC Term:	Alcoholic beverages
AGROVOC Term:	Spirits
AGROVOC Term:	Ethyl alcohol
AGROVOC Term:	Sampling
AGROVOC Term:	Gc (gas chromatography)
AGROVOC Term:	NIR spectroscopy
AGROVOC Term:	Quality controls
AGROVOC Term:	Industrial sector
AGROVOC Term:	Production
Depositing User:	Mr. AFANDI ABDUL MALEK
Last Modified:	24 Apr 2025 00:55
URI:	http://webagris.upm.edu.my/id/eprint/9658

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