山茶油中油酸和亚油酸近红外光谱分析模型

郝勇; 吴文辉; 商庆园; 耿佩

doi:doi:10.3788/AOS201939.0930004

光学学报, 2019, 39 (9): 0930004, 网络出版: 2019-09-09

山茶油中油酸和亚油酸近红外光谱分析模型下载： 1179次

Analysis Model of Oleic and Linoleic Acids in Camellia Oil via Near-Infrared Spectroscopy

郝勇 ^*吴文辉商庆园耿佩

作者单位

华东交通大学机电与车辆工程学院, 江西南昌 330013

图 & 表

图 1. 样本的原始近红外光谱图

Fig. 1. Original near-infrared spectra of samples

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图 2. NWD1st-MSC处理后的光谱图

Fig. 2. Spectrum after processing with NWD1st-MSC

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图 3. 两种脂肪酸PLSR模型建模变量样本点分布图。(a)油酸PLSR模型;(b)亚油酸PLSR模型

Fig. 3. Sample point distributions of PLSR modelling variables for two kinds of fatty acids. (a) Oleic acid PLSR model; (b) linoleic acid PLSR model

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图 4. 两种脂肪酸含量实测值与模型预测值的相关关系图。(a)油酸;(b)亚油酸

Fig. 4. Correlation relationships of measured and predicted values of models for two kinds of fatty acids. (a) Oleic acid samples; (b) linoleic acid samples

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表 1样品配制信息

Table1. Sample configuration information

Sample composition	Number	Volume fraction /%
Camellia oil mixed with rapeseed oil (pressed)	1-19	3, 5, 7, 10, 13, 15, 18, 20, 25, 28, 30, 32, 35, 38, 40, 43, 45, 48, 50
Camellia oil mixed with rapeseed oil (leaching)	20-38	3, 5, 7, 10, 13, 15, 18, 20, 25, 28, 30, 32, 35, 38, 40, 43, 45, 48, 50
Camellia oil mixed with palm oil (leaching)	39-57	3, 5, 7, 10, 13, 15, 18, 20, 25, 28, 30, 32, 35, 38, 40, 43, 45, 48, 50
Camellia oil mixed with palm oil (pressed)	58-76	3, 5, 7, 10, 13, 15, 18, 20, 25, 28, 30, 32, 35, 38, 40, 43, 45, 48, 50

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表 2气相色谱检测条件

Table2. Detection conditions of gas chromatograph

Content	Parameter
Instrument model	Agilent-6890
Detector	FID
Sampler	Split
Flow rate of ${H_{2}}_{}$ /(mL·min^-1)	1
Initial temperature /℃	140
Import sample temperature /℃	260
Termination temperature /℃	240
Heating rate /(℃·min^-1)	4
Carrier gas	N₂
Split ratio	40∶1
Sample size /μL	1
Measure time /min	40

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表 3不同光谱预处理方法的PLSR模型结果比较

Table3. Comparison of PLSR modeling results with different spectral preprocessing methods

Method	Oleic acid		Linoleic acid
Method	R_c	RMSECV	R_c	RMSECV
None	0.726	5.197	0.354	0.657
NWD1^st	0.733	5.105	0.669	0.622
NWD2^nd	0.701	5.444	0.546	0.740
MSC	0.985	1.086	0.950	0.171
SNV	0.985	1.096	0.949	0.173
NWD1^st-MSC	0.986	1.021	0.968	0.138

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表 4两种变量优选方法的PLSR模型结果比较

Table4. Comparison of PLSR modeling results with two kinds of variable selection methods

Analysis object	Variable selection method	Number of variables	R_c	RMSECV
Oleic acid	None	1501	0.986	1.021
	VCPA	7	0.984	1.107
	MCUVE	180	0.994	0.688
Linoleic acid	None	1501	0.968	0.138
	VCPA	8	0.987	0.089
	MCUVE	500	0.989	0.080

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郝勇, 吴文辉, 商庆园, 耿佩. 山茶油中油酸和亚油酸近红外光谱分析模型[J]. 光学学报, 2019, 39(9): 0930004. Yong Hao, Wenhui Wu, Qingyuan Shang, Pei Geng. Analysis Model of Oleic and Linoleic Acids in Camellia Oil via Near-Infrared Spectroscopy[J]. Acta Optica Sinica, 2019, 39(9): 0930004.

山茶油中油酸和亚油酸近红外光谱分析模型下载： 1179次

图 1. 样本的原始近红外光谱图

Fig. 1. Original near-infrared spectra of samples

图 2. NWD1st-MSC处理后的光谱图

Fig. 2. Spectrum after processing with NWD1st-MSC

图 3. 两种脂肪酸PLSR模型建模变量样本点分布图。(a)油酸PLSR模型;(b)亚油酸PLSR模型

Fig. 3. Sample point distributions of PLSR modelling variables for two kinds of fatty acids. (a) Oleic acid PLSR model; (b) linoleic acid PLSR model

图 4. 两种脂肪酸含量实测值与模型预测值的相关关系图。(a)油酸;(b)亚油酸

Fig. 4. Correlation relationships of measured and predicted values of models for two kinds of fatty acids. (a) Oleic acid samples; (b) linoleic acid samples

表 1样品配制信息

Table1. Sample configuration information

表 2气相色谱检测条件

Table2. Detection conditions of gas chromatograph

表 3不同光谱预处理方法的PLSR模型结果比较

Table3. Comparison of PLSR modeling results with different spectral preprocessing methods

表 4两种变量优选方法的PLSR模型结果比较

Table4. Comparison of PLSR modeling results with two kinds of variable selection methods

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山茶油中油酸和亚油酸近红外光谱分析模型 下载： 1179次

图 1. 样本的原始近红外光谱图

Fig. 1. Original near-infrared spectra of samples

图 2. NWD1st-MSC处理后的光谱图

Fig. 2. Spectrum after processing with NWD1st-MSC

图 3. 两种脂肪酸PLSR模型建模变量样本点分布图。(a)油酸PLSR模型;(b)亚油酸PLSR模型

Fig. 3. Sample point distributions of PLSR modelling variables for two kinds of fatty acids. (a) Oleic acid PLSR model; (b) linoleic acid PLSR model

图 4. 两种脂肪酸含量实测值与模型预测值的相关关系图。(a)油酸;(b)亚油酸

Fig. 4. Correlation relationships of measured and predicted values of models for two kinds of fatty acids. (a) Oleic acid samples; (b) linoleic acid samples

表 1样品配制信息

Table1. Sample configuration information

表 2气相色谱检测条件

Table2. Detection conditions of gas chromatograph

表 3不同光谱预处理方法的PLSR模型结果比较

Table3. Comparison of PLSR modeling results with different spectral preprocessing methods

表 4两种变量优选方法的PLSR模型结果比较

Table4. Comparison of PLSR modeling results with two kinds of variable selection methods

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山茶油中油酸和亚油酸近红外光谱分析模型下载： 1179次