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内蒙古大学 化学化工学院,内蒙古 呼和浩特,010021
纸质出版日期:2011-10-22,
网络出版日期:2011-10-22,
收稿日期:2011-4-1,
修回日期:2011-6-16,
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薛永林, 高玲, 任守信. 基于化学计量法对荧光光谱重叠的维生素B<sub>1</sub>、B<sub>2</sub>和B<sub>6</sub>的测定[J]. 发光学报, 2011,32(10): 1081-1087
XUE Yong-Lin, GAO Ling, REN Shou-xin. Determination Based on Chemometrics Spectral Geminated Vitamin B<sub>1</sub>, B<sub>2</sub> and B<sub>6</sub>[J]. Chinese Journal of Luminescence, 2011,32(10): 1081-1087
薛永林, 高玲, 任守信. 基于化学计量法对荧光光谱重叠的维生素B<sub>1</sub>、B<sub>2</sub>和B<sub>6</sub>的测定[J]. 发光学报, 2011,32(10): 1081-1087 DOI:
XUE Yong-Lin, GAO Ling, REN Shou-xin. Determination Based on Chemometrics Spectral Geminated Vitamin B<sub>1</sub>, B<sub>2</sub> and B<sub>6</sub>[J]. Chinese Journal of Luminescence, 2011,32(10): 1081-1087 DOI:
利用直接正交信号校正(DOSC)-小波包变换(WPT)-偏最小二乘法(PLS)(DOSC-WPT-PLS)新方法对荧光光谱严重重叠的维生素B
1
、B
2
和B
6
三组分混合体系进行了同时测定。设计了PDOSCWPTPLS程序执行相关计算
并将三种化学计量学方法(DOSC-WPT-PLS、WPT-PLS和PLS)进行了比较。三种维生素B的总体相对预测标准偏差分别为2.29%、4.23%和5.36%。结果表明DOSC-WPT-PLS法是成功的且优于WPT-PLS法和PLS法。将该法用于测定自来水中的维生素B
1
、B
2
和B
6
的含量其回收率分别为93.4%~109.2%、91.0%~105.2%、94.7%~107.7%
获得了满意的结果。
A DOSC-WPT-PLS method based on partial least squares (PLS) regression with direct orthogonal signal correction (DOSC) and wavelet packet transform (WPT) as preprocessed tools was proposed for the simultaneous fluorespectrophotometric determination of Vitamin B
1
vitamin B
2
and vitamin B
6
. A program (PDOSCWPTPLS) was designed to execute the relative calculations. Three chemometric methods (DOSC-WPT-PLS
WPT-PLS and PLS) were compared in this study. The relative standard errors of prediction (RSEP) obtained for all components with DOSC-WPT-PLS
WPT-PLS and PLS were 2.29%
4.23% and 5.36%
respectively. Experimental results showed that the DOSC-WPT-PLS method was successful and had advantages over the WPT-PLS and PLS. The method was applied to determine the contents of vitamin B
1
vitamin B
2
and vitamin B
6
in the tap water with satisfactory results and their recoveries were 93.4%~109.2%
91.0%~105.2% and 94.7%~107.7%
respectively.
化学计量学荧光光度法同时测定维生素B
chemometricfluorespectrophotometrysimultaneous determinationvitamin B
Du Licheng, He Ping, Li Xianhong, et al. Determination of neodymium using fluorimetric liquid method [J]. Chin. J. Lumin. (发光学报), 2010, 31 (6):936-941 (in Chinese).[2] Yan Yuan, Xu Jingou, Lin Jiang, et al. Simultaneous determination of vitamin B2 and B6 using three-dimensional fluorescence spectrometry by detecting total fluorescence intensity [J]. Chem. J. Chinese Universities (高等学校化学学报), 1997, 18 (6):877-879 (in Chinese).[3] Liu Lizhi, Lin Yuna, Zhou Hongwei, et al. Determination of vitamin B1 and B2 in infant milk powder by HPLC fluorescencedetector [J]. Environment and Health (环境与健康杂志), 2009, 26 (5):451-452 (in Chinese).[4] Zhang Jianyun, Huang Longquan, Hayakawa Takashi. Analysis of vitamin B6 derivatives in biological samples with high performance liquid chromatography [J]. Chem. J. Chinese Universities (高等学校化学学报), 2004, 25 (4):638-640 (in Chinese).[5] Wei Shoulian, Deng Guanghui, Zheng Yining. Determination of main components in vitamin B tablet by capillary electrophoresis-electrochemical detection [J]. J. Instrumn. Anal. (分析测试学报), 2002, 21 (2):32-35 (in Chinese).[6] Liang Yizeng. White, Grey and Black Multicomponent Systems and Their Chemometric Aigorithms [M]. Changsha: Hunan Publishing House of Science and Technology, 1996:2 (in Chinese).[7] Lu Xiaohua. Chemometrics [M]. Wuhan: Huazhong Universvity of Technology Press, 1997:57-78.[8] Westerhuis J A, De Jong S, Smilde A G. Direct orthogonal signal correction [J]. Chemometr. Intell. Lab. Syst., 2001, 56 (1):13-25.[9] Ren S X, Gao L. Simultaneous quantitative analysis of overlapping spectrophotometric signals using wavelet multiresolution analysis and partial least squares [J]. Talanta, 2000, 50 (5):1163-1173.[10] Coifman R R, Wickerhauser M V. Entropy-based algorithms for best basis selection [J]. IEEE Trans Inform Theory, 1992, 38 (2):713-718.[11] Ren S X, Gao L. Resolve of overlapping voltammetric signal in using a wavelet packet transform based Elman recurrent neural network [J]. Electroanal Chem., 2006, 586 (1):23-30.[12] Gao L, Ren S X. Combining orthogonal signal correction and wavelet packet transform with radial basis function neural network for multicomponent determination [J]. Chemometr. Intell. Lab. Syst., 2001, 100 (1):57-65.[13] Naval N A, Blanc R, Del Olmo M, et al. Simultaneous determination of naproxen, salicylic acid and acetylsalicylic acid by spectrofluorimetry using partial least-squares(PLS) multivariate calibration [J]. Talanta, 1999, 48 (2):469-471.[14] Gong Xiaofeng, Huang Jianfeng, Ni Yongnian. Simultaneous synchronous spectrofluorimetric determination of vitamin B1, vitamin B2 and vitamin B6 by partial least squares method [J]. Chin. J. Anal. Chem. (分析化学), 1994, 22 (9):935-938 (in Chinese).[15] Liu Ping, Liang Yizeng, Wang Suguo, et al. Artificial neural network for multivariate nonlinear calibration of fluorimetric data [J]. Acta Chimical Sinica (化学学报), 1997, 54 (4):386-392 (in Chinese).
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