霉变稻谷脂肪酸含量的光谱检测模型构建与优化分析
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国家自然科学基金(31401281);湖南省自然科学基金(14JJ3115);湖南省大学生研究性学习和创新性实验计划项目(湘教通[2014]248号);湖南省高校科技创新团队支持计划(2014207)


Optimization analysis and establishment of spectra detection model of fatty acid contents for mould paddies
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    摘要:

    为了实现霉变稻谷脂肪酸含量无损、快速检测,该文研究应用可见/近红外光谱技术检测霉变稻谷的脂肪酸含量。考虑到直接选用霉变稻谷可见/近红外光谱数据构建脂肪酸含量预测模型存在建模费时、预测失准等问题,研究提出了霉变稻谷脂肪酸含量的可见/近红外优化校正模型。研究中通过光谱-理化值共生距离(sample set partitioning based on joint x-y distance, SPXY)算法结合偏最小二乘法初步分析了不同校正集样本预测霉变稻谷脂肪酸含量的差异;利用连续投影算法(SPA)提取了反映霉变稻谷脂肪酸含量变化的特征波段;采用偏最小二乘法(partial least square, PLS)和多元线性回归法(multivariable linear regression, MLR)分别建立了基于特征波段光谱反射值的霉变稻谷脂肪酸含量预测模型,并对比分析了采用SPXY样本集划分的模型预测效果。结果表明:采用SPXY法筛选出的65个校正集样本分布与初始校正集相近,脂肪酸含量变化范围为18.55~127.26 mg,其标准差为32.39;SPA算法最终从256个全光谱波段中优选出9个特征波段,实现了光谱数据的压缩;分别建立的SPXY-SPA-PLSR模型和SPXY-SPA-MLR模型预测霉变稻谷脂肪酸含量相关系数RP为0.922 1和0.915 9,预测均方根误差RMSEP为13.889 3和14.261 0;SPXY筛选校正集所构建模型预测精度与初始校正集所建模型相当,但校正集样本数量减少为初始校正集的41%,运算时长缩短为初始样本集的32%,提高了模型的校正速度。

    Abstract:

    Fatty acids were stable metabolites and easily accumulated in paddies mould process which could better express mould extend of paddies.To achieve the non-destructive and rapid detection in fatty acid contents (FAC) for mould paddies, the detection of FAC for mould paddies was studied using the Visible/Near-infrared reflectance(Vis/NIR) spectral technology.The variety C liang-you 34156 late rice was used as paddy samples, which was obtained from Hunan Agricultural University.The mould paddy cultivating test and FAC determination experiments were carried out from October 15, 2014 to January 31, 2015 in Central South University of Forestry and Technology.Normal and complete paddies were selected and loaded into 200 sample boxes by numbers.Each sample box was loaded with 100g weights.Among them, 50 sample boxes were put into the No.A constant temperature humidity chamber to store according to requirements of cereal storage (temperatures:10 ℃, humidities:15%) and the remaining 150 sample boxes were placed in the No.B constant temperature humidity chamber to cultivate according to mould paddies breeding conditions (temperatures: 30 ℃, humidities: 90%).In view of the FAC variations affected by degree of mould paddies, the cultivated process of mould paddies was divided into three periods for better representative and generalization of samples.It was 10 days in each period, and 50 pieces of mould paddy samples in different degrees were measured during the preparation process.The Vis/NIR-infrared spectral detection testing for mould paddy samples were performed in corresponding periods in South China Agricultural University.A Vis/NIR-infrared spectral device for agro-products was used for scanning of reflectance spectra for paddies.Taking into consideration that the disadvantage of time consumption and low precision in building the model, the Vis/NIR calibration model of the fatty acid in mould paddies was proposed using sample set partition based on joint X-Y distances(SPXY)algorithm in sample set.The difference of predicting FAC in mould paddies from different calibration set was preliminarily analyzed using the combination of the SPXY algorithm and the partial least-squares regression (PLSR) algorithm.The successive projection algorithm(SPA) was applied to obtain the characteristic wavelength which indentified the variation of FAC in mould paddies.The predicted models of the FAC in mould paddies based on reflection values of characteristic wavelengths were built using the PLSR and multiple linear regression (MLR) methods, and then the prediction performance were compared between the model built by the selected calibration sample set and the model built by initial calibration sample set.The results indicated that FAC of paddies which were determined from different stages had a varying gradient distribution.The related FAC from the normal stage, early stage of mould, middle stage of mould and last stage of mould ranged from 18.55 to 24.40 mg, from 27.03 to 80.90 mg, from 84.44 to 127.26 mg, and from 101.09 to 124.88 mg, respectively.The range of FAC in 65 calibration sample sets by the SPXY was consistent with in 155 initial calibration sample sets.The standard deviation of FAC in 65 calibration sample sets was 32.39, which was close to the initial calibration sample sets.Nine characteristic wavelengths were selected from 256 full wavelengths by the SPA, which fulfilled the spectral data compression.The prediction set correlation coefficient (Rp) of the SPXY-SPA-PLSR model and the SPXY-SPA-MLR model were 0.922 1 and 0.915 9 and their prediction mean square root errors were 13.889 3 and 14.261 0, respectively.The model prediction precision built by the SPXY calibration set was close to its by the initial calibration, while the number of the SPXY calibration set was dropped to 41% and its computing time was reduced to 32% compared with the initial calibration, which may contribute to speed up the model establishment.

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文韬,洪添胜,李立君,郭鑫,赵兵,张仟仟,刘付.霉变稻谷脂肪酸含量的光谱检测模型构建与优化分析[J].农业工程学报,2016,32(1):193-199. DOI:10.11975/j. issn.1002-6819.2016.01.027

Wen Tao, Hong Tiansheng, Li Lijun, Guo Xin, Zhao Bing, Zhang Qianqian, Liu Fu. Optimization analysis and establishment of spectra detection model of fatty acid contents for mould paddies[J]. Transactions of the Chinese Society of Agricultural Engineering (Transactions of the CSAE),2016,32(1):193-199. DOI:10.11975/j. issn.1002-6819.2016.01.027

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  • 收稿日期:2015-08-19
  • 最后修改日期:2015-11-13
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  • 在线发布日期: 2015-12-30
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