基于近红外光谱法对五倍子主成分含量的快速检测

doi:10.3969/j.issn.0253-2417.2024.01.012

Abstract

Abstract:

The content of moisture, tannic acid and gallic acid was an important index to evaluate the quality of Chinese gallnut. Generally, it was determined according to the forestry industry standard of the People's Republic of China, which was cumbersome and its timeliness was not guaranteed. In order to study the feasibility of rapid detection of these indicators, 130 Chinese gallnut samples were collected, and chemical values were determined by chemical method. NIR spectroscopy was used to scan Chinese gallnut samples, which was fitted with chemical values measured by traditional methods. The partial least squares(PLS) was used to build a mathematical model, and the correlation coefficient and error of the model were compared to evaluate the prediction performance of the model. The optimal pretreatment methods for moisture, tannic acid and gallic acid in gallnut were FD+MSC, FD and FD+ML, respectively. The characteristic bands of moisture were 9 403.7-7 498.2, 6 012.0-5 774.1, 4 601.5-4 246.7 cm^-1, the characteristic bands of tannic acid were 9 403.7-7 498.2, 6 102.0-4 597.7 cm^-1, and the characteristic bands of gallic acid were 6 102.0-5 446.3, 4 601.5-4 246.7 cm^-1, respectively. The number of principal factors were 9, 10 and 5, respectively. The correlation coefficients of corrected sets(R_c²) for moisture, tannic acid and gallic acid were 0.968, 0.915 and 0.926, the root mean square error of cross validation(RMSECV) were 0.72%, 2.55% and 1.47%, and the relative percent deviation(RPD) were 5.57%, 3.42% and 3.69%, respectively. The correlation coefficients of validation sets(R_p²) were 0.951, 0.891 and 0.891, and root mean square error of prediction(RMSEP) were 0.563%, 1.28% and 0.414%, respectively. The results showed that it was feasible and effective to detect the content of moisture, tannic acid and gallic acid in Chinese gallnut by NIR combined with chemometrics.

Key words: Chinese gallnut, rapid detection, near infrared spectrum, quality evaluation

CLC Number:

TQ35
R282

Baoshan TANG, Yiwen LIU, Rui HE, Yong ZOU, Shanyu XIE, Hong ZHANG. Rapid Determination of Main Component Content of Chinese Gallnut Based on Near Infrared Spectroscopy[J]. Chemistry and Industry of Forest Products, 2024, 44(1): 89-96.

Figures/Tables 8

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References 25

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组分 component	预处理方法¹⁾ pretreatment method	主因子数 principal factor number	R_c²	RMSECV/%	RPD/%
水分moisture	FD+MSC	9	0.968	0.72	5.57
	MSC	6	0.954	0.86	4.64
	FD+VN	8	0.952	0.88	4.55
	FD+ML	8	0.937	1.00	3.99
	None	10	0.937	1.01	3.97
	ECO	8	0.935	1.02	3.91
单宁酸tannic acid	FD	10	0.915	2.55	3.42
	ECO	9	0.901	2.74	3.18
	ML	10	0.900	2.75	3.16
	None	9	0.896	2.76	3.16
	MSC	9	0.870	3.14	2.78
	M-MN	10	0.851	3.37	2.59
没食子酸gallic acid	FD+ML	5	0.926	1.47	3.69
	SD	7	0.923	1.51	3.59
	None	9	0.919	1.55	3.51
	ECO	8	0.918	1.55	3.49
	FD	9	0.916	1.58	3.44
	MSC	6	0.864	2.00	2.71

组分 component	波数范围/cm^-1 wavenumber range	主因子数 principal factor number	R_c²	RMSECV/%	RPD/%
水分 moisture	9 403.7~7 498.2, 6 012.0~5 774.1, 4 601.5~4 246.7	9	0.968	0.72	5.57
	9 403.7~7 498.2, 6 102.0~5 446.3, 4 601.5~4 246.7	10	0.967	0.73	5.47
	9 403.7~7 498.2, 6 102.0~5 446.3, 4 601.5~4 424.1	6	0.965	0.75	5.31
	9 403.7~7 498.2, 6 012.0~5 774.1, 4 601.5~4 424.1	7	0.964	0.76	5.29
	9 403.7~7 498.2, 6 012.0~5 774.1	7	0.963	0.77	5.20
	8 451~7 498.2, 6 102.0~5 774.1, 4 601.5~4 424.1	8	0.963	0.77	5.19
单宁酸 tannic acid	9 403.7~7 498.2, 6 102.0~4 597.7	10	0.915	2.55	3.42
	9 403.7~8 451, 6 102.0~4 597.7	10	0.906	2.67	3.27
	9 403.7~7 498.2, 6 102.0~4 246.7	10	0.905	2.68	3.25
	8 451~7 498.2, 6 102.0~4 597.7	10	0.905	2.68	3.25
	9 403.7~4 597.7	10	0.898	2.78	3.13
	6 102.0~5 349.8	7	0.895	2.82	3.09
没食子酸 gallic acid	6 102.0~5 446.3, 4 601.5~4 246.7	5	0.926	1.47	3.69
	9 403.7~7 498.2, 4 601.5~4 246.7	8	0.923	1.50	3.61
	9 403.7~6 098.1, 4 601.5~4 246.7	8	0.922	1.51	3.58
	9 403.7~4 597.7	7	0.917	1.56	3.47
	7 502.1~4 597.7	7	0.914	1.59	3.41
	7 502.1~6 098.1, 4 601.5~4 246.7	8	0.911	1.62	3.35

参数 parameter		样本数 sample size	质量分数范围/% mass fraction range	平均值/% average value	标准差/% standard deviation
水分moisture	校正集calibration set	100	9.30~35.00	16.33	3.99
水分moisture	验证集validation set	24	10.90~20.60	15.28	2.56
单宁酸tannic acid	校正集calibration set	100	8.35~67.30	56.72	8.72
单宁酸tannic acid	验证集validation set	30	51.14~66.83	62.22	3.86
没食子酸gallic acid	校正集calibration set	100	1.47~38.53	4.79	5.42
没食子酸gallic acid	验证集validation set	30	2.82~7.94	4.14	1.26

组分 component	回归方程 equation of regression	R_c²	F值 F value
水分moisture	y=0.947 1x+0.845	0.968	2 986.8
单宁酸tannic acid	y=0.946 0x+2.973	0.915	796.5
没食子酸gallic acid	y=0.828 0x+0.825	0.926	1 079.0

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Rapid Determination of Main Component Content of Chinese Gallnut Based on Near Infrared Spectroscopy

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