光谱学与光谱分析 |
|
|
|
|
|
Raman Spectroscopy Fluorescence Background Correction and Its Application in Clustering Analysis of Medicines |
CHEN Shan1, LI Xiao-ning1, LIANG Yi-zeng1*, ZHANG Zhi-min1, LIU Zhao-xia2, ZHANG Qi-ming2, DING Li-xia2, YE Fei3 |
1. Research Center of Modernization of Traditional Chinese Medicines, Central South University, Changsha 410083, China 2. National Institute for the Control of Pharmaceutical and Biological Products, Beijing 100050, China 3. B &W Tek, Inc. Shanghai 2204-2205 Mingshen Plaza,Shanghai 200233, China |
|
|
Abstract During Raman spectroscopy analysis, the organic molecules and contaminations will obscure or swamp Raman signals. The present study starts from Raman spectra of prednisone acetate tablets and glibenclamide tables, which are acquired from the BWTek i-Raman spectrometer. The background is corrected by R package baselineWavelet. Then principle component analysis and random forests are used to perform clustering analysis. Through analyzing the Raman spectra of two medicines, the accurate and validity of this background-correction algorithm is checked and the influences of fluorescence background on Raman spectra clustering analysis is discussed. Thus, it is concluded that it is important to correct fluorescence background for further analysis, and an effective background correction solution is provided for clustering or other analysis.
|
Received: 2009-12-10
Accepted: 2010-03-20
|
|
Corresponding Authors:
LIANG Yi-zeng
E-mail: yizeng_liang@263.net
|
|
[1] TIAN Guo-hui, CHEN Ya-jie, FENG Qing-mao(田国辉, 陈亚杰, 冯清茂). Chemical Engineer(化学工程师), 2008, 22(1): 34. [2] DOU Yan-li, ZHANG Wan-xi, ZHANG Yu-jie, et al(窦艳丽, 张万喜, 张玉杰, 等). Chinese Journal of Analytical Chemistry(分析化学), 2006, 34(11): 1615. [3] SUN Su-qin, ZHOU Qun, ZHANG Xuan, et al(孙素琴, 周 群, 张 宣, 等). Chinese Journal of Analytical Chemistry(分析化学), 2000, 28(2): 211. [4] CHEN Xiu-li, WANG Gui-wen, LIU Jun-xian, et al(陈秀丽, 王桂文, 刘军贤, 等). Journal of Instrumental Analysis(分析测试学报), 2009, 28(4): 403. [5] O’Grady A, Dennis A C, Denvir D, et al. Analytical Chemistry, 2001, 73(9): 2058. [6] Zhang Z M, Chen S, Liang Y Z, et al. Journal of Raman Spectroscopy, 2009, http://doi.wiley.com/10.1002/jrs.2500. [7] Hu Y G, Jiang T, Shen A G, et al. Chemometrics and Intelligent Laboratory Systems, 2007, 85(1): 94. [8] Gan F, Ruan G H, Mo J Y. Chemometrics and Intelligent Laboratory Systems, 2006, 82(1-2): 59. [9] Breiman L. Machine Learning, 2001, 45(1): 5. [10] Breiman L, Friedman J, Olshen R, et al. Classification and Regression Trees, Wadsworth and Brooks, Monterey, CA, 1984. [11] Breiman L. Machine Learning, 1996, 24(2): 123. [12] Efron B. The Annals of Statistics, 1979, 7(1): 1. [13] Efron B, Tibshirani J R. An Introduction to the Bootstrap, London: Chapman & Hall, 1997. |
[1] |
LI Jie, ZHOU Qu*, JIA Lu-fen, CUI Xiao-sen. Comparative Study on Detection Methods of Furfural in Transformer Oil Based on IR and Raman Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 125-133. |
[2] |
WANG Fang-yuan1, 2, HAN Sen1, 2, YE Song1, 2, YIN Shan1, 2, LI Shu1, 2, WANG Xin-qiang1, 2*. A DFT Method to Study the Structure and Raman Spectra of Lignin
Monomer and Dimer[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 76-81. |
[3] |
XING Hai-bo1, ZHENG Bo-wen1, LI Xin-yue1, HUANG Bo-tao2, XIANG Xiao2, HU Xiao-jun1*. Colorimetric and SERS Dual-Channel Sensing Detection of Pyrene in
Water[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 95-102. |
[4] |
WANG Xin-qiang1, 3, CHU Pei-zhu1, 3, XIONG Wei2, 4, YE Song1, 3, GAN Yong-ying1, 3, ZHANG Wen-tao1, 3, LI Shu1, 3, WANG Fang-yuan1, 3*. Study on Monomer Simulation of Cellulose Raman Spectrum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 164-168. |
[5] |
GUO Ya-fei1, CAO Qiang1, YE Lei-lei1, ZHANG Cheng-yuan1, KOU Ren-bo1, WANG Jun-mei1, GUO Mei1, 2*. Double Index Sequence Analysis of FTIR and Anti-Inflammatory Spectrum Effect Relationship of Rheum Tanguticum[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 188-196. |
[6] |
WANG Cai-ling1,ZHANG Jing1,WANG Hong-wei2*, SONG Xiao-nan1, JI Tong3. A Hyperspectral Image Classification Model Based on Band Clustering and Multi-Scale Structure Feature Fusion[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 258-265. |
[7] |
WANG Lan-hua1, 2, CHEN Yi-lin1*, FU Xue-hai1, JIAN Kuo3, YANG Tian-yu1, 2, ZHANG Bo1, 4, HONG Yong1, WANG Wen-feng1. Comparative Study on Maceral Composition and Raman Spectroscopy of Jet From Fushun City, Liaoning Province and Jimsar County, Xinjiang Province[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2024, 44(01): 292-300. |
[8] |
LI Wei1, TAN Feng2*, ZHANG Wei1, GAO Lu-si3, LI Jin-shan4. Application of Improved Random Frog Algorithm in Fast Identification of Soybean Varieties[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3763-3769. |
[9] |
WANG Zhi-qiang1, CHENG Yan-xin1, ZHANG Rui-ting1, MA Lin1, GAO Peng1, LIN Ke1, 2*. Rapid Detection and Analysis of Chinese Liquor Quality by Raman
Spectroscopy Combined With Fluorescence Background[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3770-3774. |
[10] |
HU Cai-ping1, HE Cheng-yu2, KONG Li-wei3, ZHU You-you3*, WU Bin4, ZHOU Hao-xiang3, SUN Jun2. Identification of Tea Based on Near-Infrared Spectra and Fuzzy Linear Discriminant QR Analysis[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3802-3805. |
[11] |
LIU Hao-dong1, 2, JIANG Xi-quan1, 2, NIU Hao1, 2, LIU Yu-bo1, LI Hui2, LIU Yuan2, Wei Zhang2, LI Lu-yan1, CHEN Ting1,ZHAO Yan-jie1*,NI Jia-sheng2*. Quantitative Analysis of Ethanol Based on Laser Raman Spectroscopy Normalization Method[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3820-3825. |
[12] |
LU Wen-jing, FANG Ya-ping, LIN Tai-feng, WANG Hui-qin, ZHENG Da-wei, ZHANG Ping*. Rapid Identification of the Raman Phenotypes of Breast Cancer Cell
Derived Exosomes and the Relationship With Maternal Cells[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3840-3846. |
[13] |
LI Qi-chen1, 2, LI Min-zan1, 2*, YANG Wei2, 3, SUN Hong2, 3, ZHANG Yao1, 3. Quantitative Analysis of Water-Soluble Phosphorous Based on Raman
Spectroscopy[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(12): 3871-3876. |
[14] |
LIU Jia-ru1, SHEN Gui-yun2, HE Jian-bin2, GUO Hong1*. Research on Materials and Technology of Pingyuan Princess Tomb of Liao Dynasty[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3469-3474. |
[15] |
LUO Li, WANG Jing-yi, XU Zhao-jun, NA Bin*. Geographic Origin Discrimination of Wood Using NIR Spectroscopy
Combined With Machine Learning Techniques[J]. SPECTROSCOPY AND SPECTRAL ANALYSIS, 2023, 43(11): 3372-3379. |
|
|
|
|