光谱学与光谱分析 |
|
|
|
|
|
Application of Chemometric Methods in Three-Dimensional Fluorescence Spectral Analysis |
GAI Yun1, BAO Cheng-man2,YE Shu-ming1, CHEN Hang1* |
1. College of Biomedical Engineering & Instrument Science,Zhejiang University,Hangzhou 310027, China 2. College of Life Science,Zhejiang University,Hangzhou 310027, China |
|
|
Abstract With the increasing complexity of analytical data, traditional data processing methods for spectral analysis can not meet the analysis needs. The chemometrics uses methods of mathematics,statistics and computer sciences to design optimum chemical measurement procedures and to provide maximum information about fluorescence spectrum by analyzing data. In the present paper, the main kinds of three-dimensional fluorescence spectrum, which are widely analyzed by chemometric methods, were illustrated at first. Secondly,an overview of the chemometric methods such as statistical methods, pattern recognition, neural network and the second-order calibration methods is presented. And the applications of these methods are followed by. Finally,the prospect of chemometric methods applied in multidimensional spectral analysis is discussed.
|
Received: 2010-09-18
Accepted: 2010-12-16
|
|
Corresponding Authors:
CHEN Hang
E-mail: stupaper2010@gmail.com
|
|
[1] XU Jin-gou, WANG Zun-ben(许金钩, 王尊本). Fluorescence Analysis(荧光分析法). Beijing: Science Press(北京: 科学出版社), 2006. [2] XU Lu, SHAO Xue-guang(许 禄, 邵学广). Chemometric Methods(化学计量学方法). Beijing: Science Press(北京: 科学出版社), 2004. [3] Saltiel J, Sears D F, Choi J O, et al. Journal of Physical Chemistry, 1994, 98(1): 35. [4] HE Li-fang, LIN Dan-li, LI Yao-qun(何立芳, 林丹丽, 李耀群). Progress in Chemistry(化学进展), 2004, 16(6): 879. [5] Purna S K G, Prow L A, Metzger L E. Journal of Dairy Science, 2005, 88(2): 470. [6] Sahar A, Boubellouta T, Portanguen S, et al. Journal of Food Science, 2009, 74(9): 534. [7] Li Guolin, Liao Yanyang, Wang Xinhui, et al. Experimental Gerontology, 2006, 41(3): 328. [8] Francesco Bonomi, Giuseppe Mora, Maria Ambrogina Pagani, et al. Analytical Biochemistry, 2004, 329(1): 104. [9] HU Ze-jian, WANG Ke-min, RAN Shao-chun(胡泽建, 王克闵, 冉少春). Journal of Oceanograpgy of Huanghai & Bohai Seas(黄渤海海洋), 1998, 16(4): 35. [10] YANG Jian-lei, ZHU Tuo, XU Yan, et al(杨建磊, 朱 拓, 徐 岩, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2010, 30(1): 243. [11] LIU Hai-long, WU Xi-jun, TIAN Guang-jun(刘海龙, 吴希军, 田广军). Chinese Journal of Lasers(中国激光), 2008, 35(5): 685. [12] Ludvig Moberg, Bo Karlberg, Kai Srensen, et al. Talanta, 2002, 56(1): 153. [13] ZHANG Qian-qian, LEI Shu-he, WANG Xiu-lin, et al(张前前, 类淑河, 王修林, 等). High Technology Letters(高技术通讯), 2005, 15(4): 75. [14] Zhang Fang, Su Guorong, He Jianfeng, et al. Journal of Phycology, 2010, 46(2): 403. [15] Allanic A L, Jezequel J Y, Andre J C. Analytical Chemistry, 1992, 64(21): 2618. [16] Lü J T, Wang Y T, Pan Z, et al. Proceedings of the 2008 International Symposium on Computational Intelligence and Design, 2008, 2: 91. [17] TIAN Guang-jun(田广军). Chinese Journal of Scientific Instrument(仪器仪表学报), 2006, 27(6): 2127. [18] Zhang Fang, Su Guorong, Wang Xiulin, et al. Journal of Experimental Marine Biology and Ecology, 2009, 368(1): 37. [19] Graciela M Escandara, Alejandro C Olivieri, Nicholaas M Faber, et al. Trends in Analytical Chemistry, 2007, 26(7): 752. [20] Booksh K S, Kowalski B R. Analytical Chemistry, 1992, 64(15): 782A. [21] Olivieri A C, Arancibia J A, de la Pena A M, et al. Analytical Chemistry, 2004, 76(19): 5657. [22] Sánchez E, Kowalski B R. Analytical Chemistry, 1986, 58(2): 496. [23] Sánchez E, Kowalski B R. Journal of Chemometrics, 1990, 4(1): 29. [24] Smilde A, Bro R, Geladi P. Multi-way Analysis with Applications in the Chemical Sciences, John Wiley & Sons, Ltd., 2004. [25] Wu H L, Feng Y Q, Shibukawa M, et al. Analytical Sciences, 1997, 13: 99. [26] Wu H L, Shibukawa M, Ogum K. Journal of Chemometrics, 1998, 12: 1. [27] Wu H L, Yu R Q, Shibukawa M, et al. Analytical Sciences, 2000, 16: 217. [28] Chen Z B, Jiao Y H, Liu Z S, et al. Journal of Harbin Institute of Technology(New Series), 2000, 7(2): 75. [29] Pedersen D K, Munck L, Engelsen S B. Journal of Chemometrics, 2002, 16(8): 451. [30] Alejandra Haimovich, Rubén Orselli, Graciela M Escandar, et al. Olivieri Chemometrics and Intelligent Laboratory Systems, 2006, 80(1): 99. [31] Piccirilli G N, Escandar G M. Analyst, 2006, 131(9): 1012. [32] Arancibia J A, Escandar G M. Analytic Chimica Acta, 2007, 584(2): 287. [33] Vatsavai Keerthika, Goicoechea H C, Campiglia A D. Analytical Biochemistry, 2008, 376(2): 213. [34] Patrícia Valderrama, Ronei Jesus Poppi. Analytica Chimica Acta, 2008, 623(1): 38. [35] Carroll J D, Cheng J J. Psychometrika, 1970, (35): 283. [36] Harshman R A. UCLA Working Papers in Phonetics, 1970, (16): 1. [37] WU Hai-long, NIE Jin-fang, YU Yong-jie, et al. Analytica Chimica Acta, 2009, 650(1): 131. [38] Xia A L, Wu H L, Fang D M, et al. Journal of Chemometrics, 2005, 19(2): 65. [39] Hu L Q, Wu H L, Ding Y J, et al. Chemometrics and Intelligent Laboratory Systems, 2006, 82(1-2): 145. [40] Xia A L, Wu H L, Zhu S H, et al. Analytical Sciences, 2008, 24(9): 1171. [41] LI Zhen, SHANG Li-ping, DENG Hu, et al(李 朕, 尚丽萍, 邓 虎, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2009, 29(7): 1925. [42] SHANG Li-ping, LI Zhan-feng(尚丽萍, 李占峰). Chinese Journal of Scientific Instrument(仪器仪表学报), 2006, 27(6): 2108. [43] Ewa Sikorska, Anna Gliszczyńska-S'wiglo, Malgorzata Insińska-Rak, et al. Analytica Chimica Acta, 2008, 613(2): 207. [44] Jad Rizkallah, Francisco J Morales, Lamia Ait-ameur, et al. Chemometrics and Intelligent Laboratory Systems, 2008, 93(2): 99. [45] Boubellouta T, Dufour E. Applied Spectroscogy, 2008, 62(5): 490. [46] Boubellouta T, Galtier V, Dufour E. Applied Spectroscogy, 2009, 63(10): 1134. [47] Yuan J T, Liao L F, Lin Y W, et al. Analytica Chimica Acta, 2008, 607(2): 160. [48] Gao S Q, Liao L F, Xiao X L, et al. Spectrochimica Acta Part A-Molecukar and Biomolecular Spectroscogy, 2010, 75(5): 1540. [49] Yuan J T, Liao L F, Xiao X L, et al. Food Chemistry, 2009, 113(4): 1377. [50] HU Xu-peng, SU Rong-guo, LIANG Sheng-kang, et al(胡序朋, 苏荣国, 梁生康, 等). Marine Environmental Science(海洋环境科学), 2008, 27(5): 506. [51] Zhang Fang, Su Guorong, He Jianfeng, et al. Spectrochimica Acta PatrA: Molecular and Biomolecular Spectroscopy, 2010, 75(2): 578. [52] Nahomiak M L, Booksh K S. Analyst, 2006, 131(12): 1308. [53] Bosco M V, Garrido M, Larrechi M S. Analytic Chimica Acta, 2006, 229(2): 240. [54] Marcelo M Sena, Marcello G, Trevisan Ronei J. Poppi. Talanta, 2006, 68(5): 1707. [55] Arancibia J A, Escandar G M. Talanta, 2003, 60(6): 1113. [56] Zhu S H, Wu H L, Xia A L, et al. Talanta, 2009, 77(5): 1640. [57] Garcia-Relriz A, Damiani P C, Olivieri A C, et al. Analytical Chemistry, 2008, 80(19): 7248. [58] Giron A J, Duran-Meras I, Espinosa-Mansilla A, et al. Analytica Chimica Acta, 2008, 622(2): 94.
|
[1] |
GAO Feng1, 2, XING Ya-ge3, 4, LUO Hua-ping1, 2, ZHANG Yuan-hua3, 4, GUO Ling3, 4*. Nondestructive Identification of Apricot Varieties Based on Visible/Near Infrared Spectroscopy and Chemometrics Methods[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 44-51. |
[2] |
LEI Hong-jun1, YANG Guang1, PAN Hong-wei1*, WANG Yi-fei1, YI Jun2, WANG Ke-ke2, WANG Guo-hao2, TONG Wen-bin1, SHI Li-li1. Influence of Hydrochemical Ions on Three-Dimensional Fluorescence
Spectrum of Dissolved Organic Matter in the Water Environment
and the Proposed Classification Pretreatment Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 134-140. |
[3] |
GU Yi-lu1, 2,PEI Jing-cheng1, 2*,ZHANG Yu-hui1, 2,YIN Xi-yan1, 2,YU Min-da1, 2, LAI Xiao-jing1, 2. Gemological and Spectral Characterization of Yellowish Green Apatite From Mexico[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 181-187. |
[4] |
CHU Bing-quan1, 2, LI Cheng-feng1, DING Li3, GUO Zheng-yan1, WANG Shi-yu1, SUN Wei-jie1, JIN Wei-yi1, HE Yong2*. Nondestructive and Rapid Determination of Carbohydrate and Protein in T. obliquus Based on Hyperspectral Imaging Technology[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3732-3741. |
[5] |
SONG Yi-ming1, 2, SHEN Jian1, 2, LIU Chuan-yang1, 2, XIONG Qiu-ran1, 2, CHENG Cheng1, 2, CHAI Yi-di2, WANG Shi-feng2,WU Jing1, 2*. Fluorescence Quantum Yield and Fluorescence Lifetime of Indole, 3-Methylindole and L-Tryptophan[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3758-3762. |
[6] |
YANG Ke-li1, 2, PENG Jiao-yu1, 2, DONG Ya-ping1, 2*, LIU Xin1, 2, LI Wu1, 3, LIU Hai-ning1, 3. Spectroscopic Characterization of Dissolved Organic Matter Isolated From Solar Pond[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3775-3780. |
[7] |
ZHANG Shu-fang1, LEI Lei2, LEI Shun-xin2, TAN Xue-cai1, LIU Shao-gang1, YAN Jun1*. Traceability of Geographical Origin of Jasmine Based on Near
Infrared Diffuse Reflectance Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3389-3395. |
[8] |
XUE Fang-jia, YU Jie*, YIN Hang, XIA Qi-yu, SHI Jie-gen, HOU Di-bo, HUANG Ping-jie, ZHANG Guang-xin. A Time Series Double Threshold Method for Pollution Events Detection in Drinking Water Using Three-Dimensional Fluorescence Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(10): 3081-3088. |
[9] |
JIA Yu-ge1, YANG Ming-xing1, 2*, YOU Bo-ya1, YU Ke-ye1. Gemological and Spectroscopic Identification Characteristics of Frozen Jelly-Filled Turquoise and Its Raw Material[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2974-2982. |
[10] |
YANG Xin1, 2, XIA Min1, 2, YE Yin1, 2*, WANG Jing1, 2. Spatiotemporal Distribution Characteristics of Dissolved Organic Matter Spectrum in the Agricultural Watershed of Dianbu River[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(09): 2983-2988. |
[11] |
ZHU Yan-ping1, CUI Chuan-jin1*, CHENG Peng-fei1, 2, PAN Jin-yan1, SU Hao1, 2, ZHANG Yi1. Measurement of Oil Pollutants by Three-Dimensional Fluorescence
Spectroscopy Combined With BP Neural Network and SWATLD[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(08): 2467-2475. |
[12] |
QIU Cun-pu1, 2, TANG Xiao-xue2, WEN Xi-xian4, MA Xin-ling2, 3, XIA Ming-ming2, 3, LI Zhong-pei2, 3, WU Meng2, 3, LI Gui-long2, 3, LIU Kai2, 3, LIU Kai-li4, LIU Ming2, 3*. Effects of Calcium Salts on the Decomposition Process of Straw and the Characteristics of Three-Dimensional Excitation-Emission Matrices of the Dissolved Organic Matter in Decomposition Products[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(07): 2301-2307. |
[13] |
SHI Chuan-qi1, LI Yan2, HU Yu3, YU Shao-peng1*, JIN Liang2, CHEN Mei-ru1. Fluorescence Spectral Characteristics of Soil Dissolved Organic Matter in the River Wetland of Northern Cold Region, China[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(05): 1517-1523. |
[14] |
LI Yuan-jing1, 2, CHEN Cai-yun-fei1, 2, LI Li-ping1, 2*. Spectroscopy Study of γ-Ray Irradiated Gray Akoya Pearls[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(04): 1056-1062. |
[15] |
SU Ling1, 2, BU Ya-ping1, 2, LI Yuan-yuan2, WANG Qi1, 2*. Study on the Prediction Method of Pleurotus Ostreatus Protein and
Polysaccharide Content Based on Fourier Transform Infrared
Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(04): 1262-1267. |
|
|
|
|