结合小波压缩和APTLD的三维荧光光谱技术在掺伪芝麻油鉴别中的应用
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摘要
将三维荧光光谱技术、小波压缩和交替惩罚三线性分解算法(APTLD)结合,提出了一种鉴别掺伪芝麻油的新方法。利用荧光光谱仪测量纯芝麻油及掺伪芝麻油样本的三维荧光光谱,通过激发校正和发射校正消除仪器带来的误差,得到样本的真实三维荧光光谱数据;利用小波压缩对处理后的真实数据进行压缩,以减少冗余信息,其中压缩分数和数据恢复分数分别大于94.00%和98.00%;利用APTLD算法对压缩后的数据进行定性及定量分析,得到的回收率为97.0%～99.8%,预测方均根误差不大于0.120。研究结果表明,所提方法能够准确鉴别纯芝麻油及掺伪芝麻油样本,并对其组分含量进行预测。
A new method for identification of adulterated sesame oil is proposed, and the method combines three-dimensional fluorescence spectroscopy with wavelet compression and alternating penalty trilinear decomposition(APTLD) algorithms. The three-dimensional fluorescence spectra of pure sesame oil and adulterated sesame oil samples are measured with fluorescence spectrometer, and the error caused by the instrument is eliminated via excitation correction and emission correction, then the true three-dimensional fluorescence spectrum data of the samples are obtained. Wavelet compression is used to compress the processed real data to reduce redundant information. The compression fraction and data recovery fraction are greater than 94.00% and 98.00%, respectively. The APTLD algorithm is used to qualitatively and quantitatively analyze the compressed three-dimensional fluorescence spectral data. The obtained recovery rate is 97.0%-99.8%, and the root mean square error of prediction(RMSEP) is not larger than 0.120. The research results show that the proposed method can accurately identify the pure sesame oil and the adulterated sesame oil samples, and predict the component of the samples.
A new method for identification of adulterated sesame oil is proposed, and the method combines three-dimensional fluorescence spectroscopy with wavelet compression and alternating penalty trilinear decomposition(APTLD) algorithms. The three-dimensional fluorescence spectra of pure sesame oil and adulterated sesame oil samples are measured with fluorescence spectrometer, and the error caused by the instrument is eliminated via excitation correction and emission correction, then the true three-dimensional fluorescence spectrum data of the samples are obtained. Wavelet compression is used to compress the processed real data to reduce redundant information. The compression fraction and data recovery fraction are greater than 94.00% and 98.00%, respectively. The APTLD algorithm is used to qualitatively and quantitatively analyze the compressed three-dimensional fluorescence spectral data. The obtained recovery rate is 97.0%-99.8%, and the root mean square error of prediction(RMSEP) is not larger than 0.120. The research results show that the proposed method can accurately identify the pure sesame oil and the adulterated sesame oil samples, and predict the component of the samples.
引文
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[3] Yin G F, Zhao N J, Hu L, et al. Classified measurement of phytoplankton based on characteristic fluorescence of photosynthetic pigments[J]. Acta Optica Sinica, 2014, 34(9): 0930005. 殷高方, 赵南京, 胡丽, 等. 基于色素特征荧光光谱的浮游植物分类测量方法[J]. 光学学报, 2014, 34(9): 0930005.
[4] Zhang X L, Yin G F, Zhao N J, et al. Construction of three-dimensional fluorescence standard spectra of algae in vivo based on weighted average method[J]. Acta Optica Sinica, 2018, 38(7): 0730001. 张小玲, 殷高方, 赵南京, 等. 基于加权平均法的活体藻类三维荧光标准光谱构建[J]. 光学学报, 2018, 38(7): 0730001.
[5] Wu X J, Pan Z, Zhao Y P, et al. Application of fluorescence spectra and parallel factor analysis in the classification of edible vegetable oils[J]. Spectroscopy and Spectral Analysis, 2014, 34(8): 2137-2142. 吴希军, 潘钊, 赵彦鹏, 等. 荧光光谱及平行因子分析法在植物油鉴别中的应用[J]. 光谱学与光谱分析, 2014, 34(8): 2137-2142.
[6] Pan Z, Cui Y Y, Wu X J, et al. 3D fluorescence spectra combined with Tchebichef moments for rapid identification of doping sesame oil[J]. Chinese Journal of Luminescence, 2018, 39(4): 568-572. 潘钊, 崔耀耀, 吴希军, 等. 三维荧光光谱结合Tchebichef矩快速鉴别掺伪芝麻油[J]. 发光学报, 2018, 39(4): 568-572.
[7] Oliveira E, Henriquez C, Nunes L C, et al. Exploiting multivariate calibration for compensation of iron interference in the spectrophotometric flow-based catalytic determination of molybdenum[J]. Talanta, 2018, 179: 15-21.
[8] Chen Y, Zhang T N, Guo P, et al. Quantitative analysis for nonlinear fluorescent spectra based on principal component analysis[J]. Acta Optica Sinica, 2009, 29(5): 1285-1291. 陈扬, 张太宁, 郭澎, 等. 基于主成分分析的复杂光谱定量分析方法的研究[J]. 光学学报, 2009, 29(5): 1285-1291.
[9] Wang Y T, Liu T T, Liu L F, et al. Determination of polycyclic aromatic hydrocarbons in water based on three dimensional fluorescence spectroscopy combined with wavelet compression and APTLD[J]. Spectroscopy and Spectral Analysis, 2018, 38(4): 1171-1177. 王玉田, 刘婷婷, 刘凌妃, 等. 基于三维荧光光谱结合小波压缩与APTLD对水中多环芳烃测定[J]. 光谱学与光谱分析, 2018, 38(4): 1171-1177.
[10] Wu H Y, Zhou Z Y, Wang H T, et al. Effect of spectra correction on the fluorescence characteristics of dissolved organic matter[J]. Spectroscopy and Spectral Analysis, 2012, 32(11): 3044-3048. 吴华勇, 周泽宇, 王洪涛, 等. 光谱校正对溶解有机物三维荧光光谱特征影响[J]. 光谱学与光谱分析, 2012, 32(11): 3044-3048.
[11] Li S W, Xie P H, Li Y J, et al. Wavelet transform based differential optical absorption spectroscopy data processing[J]. Acta Optica Sinica, 2006, 26(11): 1601-1604. 李素文, 谢品华, 李玉金, 等. 基于小波变换的差分吸收光谱数据处理方法[J]. 光学学报, 2006, 26(11): 1601-1604.
[12] Yang L L, Wang Y T, Lu X Q. Identification and measurement of petroleum pollutant by three-dimensional matrix fluorescence with second-order calibration methods[J]. Chinese Journal of Lasers, 2013, 40(6): 0615002. 杨丽丽, 王玉田, 鲁信琼. 三维荧光光谱结合二阶校正法用于石油类污染物的识别和检测[J]. 中国激光, 2013, 40(6): 0615002.
[13] Jaffé R, Cawley K M, Yamashita Y. Applications of excitation emission matrix fluorescence with parallel factor analysis (EEM-PARAFAC) in assessing environmental dynamics of natural dissolved organic matter (DOM) in aquatic environments: a review[M]//Advances in the Physicochemical Characterization of Dissolved Organic Matter: Impact on Natural and Engineered Systems. ACS Symposium Series. Washington DC: American Chemical Society, 2014, 1160: 27-73.
[14] Wang T, Wu H L, Xie L X, et al. Fast and simultaneous determination of naproxen and diflunisal in biological fluids using excitation-emission matrix fluorescence coupled with second-order calibration method[J]. Fine Chemical Intermediates, 2017, 47(5): 79-84. 王童, 吴海龙, 谢丽霞, 等. 三维荧光二阶校正法同时快速测定人体液中两种非甾体抗炎药萘普生和二氟尼柳[J]. 精细化工中间体, 2017, 47(5): 79-84.
[15] Wang X M, Wu H L, Nie J F, et al. Rapid determination of bitertanol content in banana using three-dimensional fluorescence coupled with second-order calibration[J]. Chinese Journal of Analytical Chemistry, 2009, 37(6): 811-816. 王雪梅, 吴海龙, 聂瑾芳, 等. 三维荧光二阶校正方法快速检测香蕉中双苯三唑醇含量[J]. 分析化学, 2009, 37(6): 811-816.
[16] Wu H L, Li Y, Kang C, et al. Research progress of three-dimensional fluorescence coupled with chemical multiway calibration[J]. Chinese Journal of Analytical Chemistry, 2015, 43(11): 1629-1637. 吴海龙, 李勇, 康超, 等. 三维荧光化学多维校正方法研究新进展[J]. 分析化学, 2015, 43(11): 1629-1637.
[17] Cai Q, Wu H L, Li Y N, et al. Rapid determination of α-naphthyl acetic acid and indole-3-acetic acid in fruits extract by using three-dimensional fluorescence coupled with second-order calibration method[J]. Chemistry, 2011, 74(1): 47-53. 蔡晴, 吴海龙, 李元娜, 等. 三维荧光二阶校正法同时测定水果样中α-萘乙酸和吲哚-3-乙酸[J]. 化学通报, 2011, 74(1): 47-53.
[18] Yan J W, Shen G M, Hu X Y, et al. An improved biblock zero tree coding for hyperspectral data compression[J]. Acta Optica Sinica, 2002, 22(7): 834-838. 闫敬文, 沈贵明, 胡晓毅, 等. 改进的对块零树编码压缩方法对超光谱数据压缩[J]. 光学学报, 2002, 22(7): 834-838.
[2] Ding Q Z, Liu L L, Wu Y W, et al. Authentication and adulteration analysis of sesame oil by FTIR spectroscopy[J]. Spectroscopy and Spectral Analysis, 2014, 34(10): 2690-2695. 丁轻针, 刘玲玲, 武彦文, 等. 基于FTIR的芝麻油真伪鉴别和掺伪定量分析模型[J]. 光谱学与光谱分析, 2014, 34(10): 2690-2695.
[3] Yin G F, Zhao N J, Hu L, et al. Classified measurement of phytoplankton based on characteristic fluorescence of photosynthetic pigments[J]. Acta Optica Sinica, 2014, 34(9): 0930005. 殷高方, 赵南京, 胡丽, 等. 基于色素特征荧光光谱的浮游植物分类测量方法[J]. 光学学报, 2014, 34(9): 0930005.
[4] Zhang X L, Yin G F, Zhao N J, et al. Construction of three-dimensional fluorescence standard spectra of algae in vivo based on weighted average method[J]. Acta Optica Sinica, 2018, 38(7): 0730001. 张小玲, 殷高方, 赵南京, 等. 基于加权平均法的活体藻类三维荧光标准光谱构建[J]. 光学学报, 2018, 38(7): 0730001.
[5] Wu X J, Pan Z, Zhao Y P, et al. Application of fluorescence spectra and parallel factor analysis in the classification of edible vegetable oils[J]. Spectroscopy and Spectral Analysis, 2014, 34(8): 2137-2142. 吴希军, 潘钊, 赵彦鹏, 等. 荧光光谱及平行因子分析法在植物油鉴别中的应用[J]. 光谱学与光谱分析, 2014, 34(8): 2137-2142.
[6] Pan Z, Cui Y Y, Wu X J, et al. 3D fluorescence spectra combined with Tchebichef moments for rapid identification of doping sesame oil[J]. Chinese Journal of Luminescence, 2018, 39(4): 568-572. 潘钊, 崔耀耀, 吴希军, 等. 三维荧光光谱结合Tchebichef矩快速鉴别掺伪芝麻油[J]. 发光学报, 2018, 39(4): 568-572.
[7] Oliveira E, Henriquez C, Nunes L C, et al. Exploiting multivariate calibration for compensation of iron interference in the spectrophotometric flow-based catalytic determination of molybdenum[J]. Talanta, 2018, 179: 15-21.
[8] Chen Y, Zhang T N, Guo P, et al. Quantitative analysis for nonlinear fluorescent spectra based on principal component analysis[J]. Acta Optica Sinica, 2009, 29(5): 1285-1291. 陈扬, 张太宁, 郭澎, 等. 基于主成分分析的复杂光谱定量分析方法的研究[J]. 光学学报, 2009, 29(5): 1285-1291.
[9] Wang Y T, Liu T T, Liu L F, et al. Determination of polycyclic aromatic hydrocarbons in water based on three dimensional fluorescence spectroscopy combined with wavelet compression and APTLD[J]. Spectroscopy and Spectral Analysis, 2018, 38(4): 1171-1177. 王玉田, 刘婷婷, 刘凌妃, 等. 基于三维荧光光谱结合小波压缩与APTLD对水中多环芳烃测定[J]. 光谱学与光谱分析, 2018, 38(4): 1171-1177.
[10] Wu H Y, Zhou Z Y, Wang H T, et al. Effect of spectra correction on the fluorescence characteristics of dissolved organic matter[J]. Spectroscopy and Spectral Analysis, 2012, 32(11): 3044-3048. 吴华勇, 周泽宇, 王洪涛, 等. 光谱校正对溶解有机物三维荧光光谱特征影响[J]. 光谱学与光谱分析, 2012, 32(11): 3044-3048.
[11] Li S W, Xie P H, Li Y J, et al. Wavelet transform based differential optical absorption spectroscopy data processing[J]. Acta Optica Sinica, 2006, 26(11): 1601-1604. 李素文, 谢品华, 李玉金, 等. 基于小波变换的差分吸收光谱数据处理方法[J]. 光学学报, 2006, 26(11): 1601-1604.
[12] Yang L L, Wang Y T, Lu X Q. Identification and measurement of petroleum pollutant by three-dimensional matrix fluorescence with second-order calibration methods[J]. Chinese Journal of Lasers, 2013, 40(6): 0615002. 杨丽丽, 王玉田, 鲁信琼. 三维荧光光谱结合二阶校正法用于石油类污染物的识别和检测[J]. 中国激光, 2013, 40(6): 0615002.
[13] Jaffé R, Cawley K M, Yamashita Y. Applications of excitation emission matrix fluorescence with parallel factor analysis (EEM-PARAFAC) in assessing environmental dynamics of natural dissolved organic matter (DOM) in aquatic environments: a review[M]//Advances in the Physicochemical Characterization of Dissolved Organic Matter: Impact on Natural and Engineered Systems. ACS Symposium Series. Washington DC: American Chemical Society, 2014, 1160: 27-73.
[14] Wang T, Wu H L, Xie L X, et al. Fast and simultaneous determination of naproxen and diflunisal in biological fluids using excitation-emission matrix fluorescence coupled with second-order calibration method[J]. Fine Chemical Intermediates, 2017, 47(5): 79-84. 王童, 吴海龙, 谢丽霞, 等. 三维荧光二阶校正法同时快速测定人体液中两种非甾体抗炎药萘普生和二氟尼柳[J]. 精细化工中间体, 2017, 47(5): 79-84.
[15] Wang X M, Wu H L, Nie J F, et al. Rapid determination of bitertanol content in banana using three-dimensional fluorescence coupled with second-order calibration[J]. Chinese Journal of Analytical Chemistry, 2009, 37(6): 811-816. 王雪梅, 吴海龙, 聂瑾芳, 等. 三维荧光二阶校正方法快速检测香蕉中双苯三唑醇含量[J]. 分析化学, 2009, 37(6): 811-816.
[16] Wu H L, Li Y, Kang C, et al. Research progress of three-dimensional fluorescence coupled with chemical multiway calibration[J]. Chinese Journal of Analytical Chemistry, 2015, 43(11): 1629-1637. 吴海龙, 李勇, 康超, 等. 三维荧光化学多维校正方法研究新进展[J]. 分析化学, 2015, 43(11): 1629-1637.
[17] Cai Q, Wu H L, Li Y N, et al. Rapid determination of α-naphthyl acetic acid and indole-3-acetic acid in fruits extract by using three-dimensional fluorescence coupled with second-order calibration method[J]. Chemistry, 2011, 74(1): 47-53. 蔡晴, 吴海龙, 李元娜, 等. 三维荧光二阶校正法同时测定水果样中α-萘乙酸和吲哚-3-乙酸[J]. 化学通报, 2011, 74(1): 47-53.
[18] Yan J W, Shen G M, Hu X Y, et al. An improved biblock zero tree coding for hyperspectral data compression[J]. Acta Optica Sinica, 2002, 22(7): 834-838. 闫敬文, 沈贵明, 胡晓毅, 等. 改进的对块零树编码压缩方法对超光谱数据压缩[J]. 光学学报, 2002, 22(7): 834-838.
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