太赫兹时域光谱结合PCA-LDA鉴别西洋参的研究（英文）
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摘要
太赫兹时域光谱技术是一种新型的光谱测量技术.由于它对非导电材料和非极性材料的穿透性及其安全性,被广泛用于材料检测领域.本研究将太赫兹时域光谱与主成分分析-线性判别分析相结合,建立萃取过的西洋参和正宗西洋参的无损鉴别模型.主成分分析-线性判别分析的方法基于太赫兹波谱范围,萃取过的西洋参与正宗西洋参的吸光度光谱高度相似,采用留一法对主成分-线性判别分析模型分类性能进行评价.结果表明,前3个主成分的累计方差贡献率大于98. 1%,主成分分析-线性判别分析模型对萃取过的西洋参和正宗西洋参的识别率分别为100%和96. 7%,总的识别率达到98. 3%.研究显示,利用太赫兹时域光谱技术结合主成分分析-线性判别分析模型,能够对萃取过的西洋参和正宗未萃取西洋参进行准确鉴别,结果可靠.
Terahertz time-domain spectroscopy is a new spectroscopic measurement technique that has been widely applied in material detection due to its ability to penetrate most non-conducting and non-polar materials and its intrinsical safe nature. In this work,terahertz time-domain spectroscopy combined with principle component analysis and linear discriminant analysis was applied to establish a non-destructive identification model for American ginseng after extraction and authentic American ginseng. The spectral analysis was based on the terahertz spectra and the absorbance spectra of American ginseng after extraction and authentic American ginseng showed little difference. The leave-one-out approach was used to evaluate the performance of the principle component analysis and linear discriminant analysis model. The result of the analysis suggested that the reliabilities of the top three principal components were more than 98. 1% and the recognition rates of the principle component analysis and linear discriminant analysis model were 100% and 96. 7% in terms of the American ginseng after extraction and authentic American ginseng,and the total recognition rate was 98. 3%. Our work suggests that by combining terahertz time-domain spectroscopy with principle component analysis and linear discriminant analysis,American ginseng after extraction and authentic American ginseng can be accurately distinguished and the identification results are reliable and practicable.
Terahertz time-domain spectroscopy is a new spectroscopic measurement technique that has been widely applied in material detection due to its ability to penetrate most non-conducting and non-polar materials and its intrinsical safe nature. In this work,terahertz time-domain spectroscopy combined with principle component analysis and linear discriminant analysis was applied to establish a non-destructive identification model for American ginseng after extraction and authentic American ginseng. The spectral analysis was based on the terahertz spectra and the absorbance spectra of American ginseng after extraction and authentic American ginseng showed little difference. The leave-one-out approach was used to evaluate the performance of the principle component analysis and linear discriminant analysis model. The result of the analysis suggested that the reliabilities of the top three principal components were more than 98. 1% and the recognition rates of the principle component analysis and linear discriminant analysis model were 100% and 96. 7% in terms of the American ginseng after extraction and authentic American ginseng,and the total recognition rate was 98. 3%. Our work suggests that by combining terahertz time-domain spectroscopy with principle component analysis and linear discriminant analysis,American ginseng after extraction and authentic American ginseng can be accurately distinguished and the identification results are reliable and practicable.
引文
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[16]涂闪,张文涛,熊显名,等.基于太赫兹时域光谱系统的转基因棉花种子主成分特性分析[J].光子学报,2015,44(4):176-181.TU Shan, ZHANG Wentao, XIONG Xianming, et al.Principal component analysis for transgenic cotton seeds based on terahertz time domain spectroscopy system[J].Acta Photonica Sinica,2015,44(4):176-181.(in Chinese).
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[18]张文涛,李跃文,占平平,等.基于太赫兹时域光谱技术与PCA-SVM的转基因大豆油鉴别研究[J].红外与激光工程,2017,46(11):1125004.ZHANG Wentao, LI Yuewen, ZHAN Pingping, et al.Recognition of transgenic soybean oil based on terahertz time-domain spectroscopy and PCA-SVM[J]. Infrared&Laser Engineering,2017,46(11):1125004.(in Chinese)
[19]陈阿丽,崔永霞,周立艳,等.正交试验法优选人参水提工艺[J].中国现代药物应用,2009,3(9):21-22.CHEN Ali,CUI Yongxia,ZHOU Liyan,et al. Optimization of water-extraction technology for Panax ginseng by orthogonal design[J]. Chinese Journal of Modern Drug Application,2009,3(9):21-22.(in Chinese)
[20]曹丙花,范孟豹,荆胜羽.基于太赫兹波时域光谱技术的纺织材料鉴别和分类技术研究[J].光谱学与光谱分析,2010,30(7):1748-1751.CAO Binghua,FAN Mengbao,JING Shengyu. Identification and classification of textiles based on terahertz time domain spectroscopy[J]. Spectroscopy and Spectral Analysis,2010,30(7):1748-1751.(in Chinese)
[21]ESBENSEN K,GELADI P. Principal component analysis[J]. Chemometrics and Intelligent Laboratory Systems,1987,2(1/2/3):37-52.
[22]ERWIN K. Advanced engineering mathematics[M]. 4th ed. New York:John Wiley&Sons,1979:880.
[23]CAMASTRA F,VINCIARELLI A. Machine learning for audio,image and video analysis[J]. Journal of Electronic Imaging,2008,18(2):029901.
[2]LI Yingming,SUN Suqi,ZHOU Qun,et al. Identification of American ginseng from different regions using FT-IR and two-dimensional correlation IR spectroscopy[J]. Vibrational Spectroscopy,2004,36(2):227-232.
[3]LI Wenkui,FITZLOFF J F. HPLC determination of ginsenosides content in ginseng dietary supplements using ultraviolet detection[J]. Journal of Liquid Chromatography&Related Technologies,2002,16(25):2485-2500.
[4]VUKSAN V,STAVRO M P,SIEVENPIPER J L,et al.American ginseng improves glycemia in individuals with normal glucose tolerance:effect of dose and time escalation[J]. Journal of the American College of Nutrition,2000,19(6):738-744.
[5]YAP Y L,CHAN S Y,LIM C S. Authentication of traditional Chinese medicine using infrared spectroscopy:distinguishing between ginseng and its morphological fakes[J]. Journal of Biomedical Science,2007,14(2):265-273.
[6]QI Lianwen,WANG Chongzhi,YUAN Chunsu. American ginseng:potential structure-function relationship in cancer chemoprevention[J]. Biochemical Pharmacology,2010,80(7):947-954.
[7]AZIKE C G,CHARPENTIER P A,LUI E M. Stimulation and suppression of innate immune function by American ginseng polysaccharides:biological relevance and identification of bioactives[J]. Pharmaceutical Research,2015,32(3):876-897
[8]徐世义,孙国祥,慕善学,等.林下山参与野山参HPLC指纹图谱比较研究[J].中药材,2013,36(2):213-216.XU Shiyi,SUN Guoxiang,MU Shanxue,et al. Fingerprint comparison of mountain cultivated ginseng and wild ginseng by HPLC[J]. Journal of Chinese Medicinal Materials,2013,36(2):213-216.(in Chinese)
[9]CHEONG K L,WU Dingtao,HU Dejun,et al. Comparison and characterization of the glycome of panax species by high-performance thin-layer chromatography[J]. Journal of Planar Chromatography Modern TLC,2014,27(6):449-453
[10]TONOUCHI M. Cutting-edge THz technology[J]. Nature Photonics,2007(1):97-105.
[11]YAO Jianquan. Introduction of THz-wave and its applications[J]. Journal of Chongqing University of Posts and Telecommunications Natural Science Edition,2010,22(6):703-707.
[12]PLATTE F,HEISE H M. Substance identification based on transmission THz spectra using library search[J].Journal of Molecular Structure,2014,1073(S1):3-9.
[13]FISCHER B M,HELM H,JEPSEN P U. Chemical recognition with broadband THz spectroscopy[J]. Proceedings of the IEEE,2007,95(8):1592-1604.
[14]SHIRAGA K,OGAWA Y,KONDO N,et al. Evaluation of the hydration state of saccharides using terahertz timedomain attenuated total reflection spectroscopy[J]. Food Chemistry,2013,140(1/2):315-320.
[15]MARKELZ A G,ROITBERG A,HEILWEIL E J. Pulsed terahertz spectroscopy of DNA,bovine serum albumin and collagen between 0. 1 and 2. 0 THz[J]. Chemical Physics Letters,2000,320(1/2):42-48.
[16]涂闪,张文涛,熊显名,等.基于太赫兹时域光谱系统的转基因棉花种子主成分特性分析[J].光子学报,2015,44(4):176-181.TU Shan, ZHANG Wentao, XIONG Xianming, et al.Principal component analysis for transgenic cotton seeds based on terahertz time domain spectroscopy system[J].Acta Photonica Sinica,2015,44(4):176-181.(in Chinese).
[17]杨晨,田璐,赵昆.食用香料的太赫兹时域光谱[J].光子学报,2012,41(5):627-630.YANG Chen,TIAN Lu,ZHAO Kun. Spectroscopic studies on the edible flavoring in terahertz range[J]. Acta Pohtonica Sinica,2012,41(5):627-630.(in Chinese)
[18]张文涛,李跃文,占平平,等.基于太赫兹时域光谱技术与PCA-SVM的转基因大豆油鉴别研究[J].红外与激光工程,2017,46(11):1125004.ZHANG Wentao, LI Yuewen, ZHAN Pingping, et al.Recognition of transgenic soybean oil based on terahertz time-domain spectroscopy and PCA-SVM[J]. Infrared&Laser Engineering,2017,46(11):1125004.(in Chinese)
[19]陈阿丽,崔永霞,周立艳,等.正交试验法优选人参水提工艺[J].中国现代药物应用,2009,3(9):21-22.CHEN Ali,CUI Yongxia,ZHOU Liyan,et al. Optimization of water-extraction technology for Panax ginseng by orthogonal design[J]. Chinese Journal of Modern Drug Application,2009,3(9):21-22.(in Chinese)
[20]曹丙花,范孟豹,荆胜羽.基于太赫兹波时域光谱技术的纺织材料鉴别和分类技术研究[J].光谱学与光谱分析,2010,30(7):1748-1751.CAO Binghua,FAN Mengbao,JING Shengyu. Identification and classification of textiles based on terahertz time domain spectroscopy[J]. Spectroscopy and Spectral Analysis,2010,30(7):1748-1751.(in Chinese)
[21]ESBENSEN K,GELADI P. Principal component analysis[J]. Chemometrics and Intelligent Laboratory Systems,1987,2(1/2/3):37-52.
[22]ERWIN K. Advanced engineering mathematics[M]. 4th ed. New York:John Wiley&Sons,1979:880.
[23]CAMASTRA F,VINCIARELLI A. Machine learning for audio,image and video analysis[J]. Journal of Electronic Imaging,2008,18(2):029901.