There are many minor components in Baijiu. Due to the severely overlapping signal peaks in 1H NMR spectrum, the specific characteristic components analysis method cannot achieve accurate quantification of organic acids and aldehydes in Baijiu. In order to solve the problem of overlapping signal peaks of Baijiu in 1H NMR spectrum, a partial least squares regression (PLSR) model for quantitative analysis of 6 organic acids (acetic acid, propionic acid, butyric acid, valeric acid, hexanoic acid, and isovaleric acid) and 3 aldehydes (acetaldehyde, acetal, and isovaleraldehyde) in Baijiu was established using 1H NMR technology as the detection method, combining with PLSR prediction algorithm. The coefficient of determination of the PLSR model for quantitative analysis ranged from 0.93 to 0.99, the standard deviation of prediction (RMSEP) < 0.7, and the range error ratio (RPD)≥3.7. It showed that the model had good fitting effect and high prediction accuracy. Compared the results of NMR PLSR model with those of gas chromatography, the error was within ± 8%, which met the verification requirements of method feasibility comparison analysis. The results showed that the NMR PLSR model for quantitative prediction could be used for the accurate determination of 6 organic acids and 3 aldehydes in Baijiu, which laid the foundation for the application of non-targeted 1H NMR fingerprint technology in the authenticity identification of Baijiu, and provided solutions to the problem that it is difficult to quantify the signal overlap of minor components (esters, carbohydrates, amino acid, etc.) in other foods.
JI Xin
,
FAN Shuangxi
,
LI Yicong
,
ZHONG Qiding
,
LU Wei
,
LI Anjun
,
LIU Guoying
,
HUANG Yan
,
HU Xinhang
,
YE Fangping
. Quantitative analysis of organic acids and aldehydes in Baijiu via PLSR model[J]. Food and Fermentation Industries, 2020
, 46(14)
: 204
-210
.
DOI: 10.13995/j.cnki.11-1802/ts.023839
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