Normalization Methods for Ethanol Raman Spectra Quantitative Analysis
WU Zheng-jie1, HUANG Yao-xiong1*, WANG Cheng2, LI Shao-fa2
1. Institute of Biomedical Engineering, Jinan University, Guangzhou 510632, China 2. Department of Computer Science and Engineering, South China University of Technology, Guangzhou 510640, China
Abstract：By performing different Raman normalization methods for ethanol quantitative analysis, the authors proposed the method which used the highest band intensity of the ethanol Raman spectra in the maximum concentration as the normalization metric for ethanol concentration quantitative analysis. By using this method, the correlation coefficient was 0.999, the mean relative error was only 0.067 8, and the relative standard deviation (RSD) of the data from different experimental groups was 0.046 3. Both the validity and accuracy of this method were much better than the internal standard and ratio methods. Combined with baseline correction, the method can not only effectively resist the data fluctuation between different experimental groups, but also improve the accuracy of ethanol quantitative analysis obviously. The test using the method to measure the ethanol concentration of some wines from market proved that the relative standard deviations were all smaller than 0.012, indicating that the method is excellent for ethanol concentration quantitative analysis in commercial applications.
[1] Tseng C, Mann C K, Vickers T J. Appl. Spectrosc., 1994, 48: 535. [2] HONG Wen-xing, HE Song-yu, HUANG Shun-hua, et al(洪文兴, 何松裕, 黄舜华, 等). Spectroscopy and Spectral Analysis(光谱学与光谱分析), 2008, 28(10): 2343. [3] Stackler B, Christensen E N. Am. J. Enol. Vitic., 1974, 25: 202. [4] Collins T S, Miller C A, Altria K D, et al. Am. J. Enol. Vitic., 1997, 48: 280. [5] Nagarajan R, Gupta A, Mehrotra R, et al. Journal of Automated Methods and Management in Chemistry, 2006. 45102. [6] Cassada D A, Zhang Y, Snow D D, et al. Anal. Chem.，2000, 72: 4654. [7] Ortega C, Lopez R, Cacho J, et al. J. Chromatogr. A, 2001, 93: 205. [8] Tangerman A. Clin. Chem. 1997, 43(6): 1003. [9] LIU Wen-han, YANG Mo, WU Xiao-qiong, et al(刘文涵, 杨 末, 吴小琼, 等). Chinese Journal of Analytical Chemistry(分析化学), 2007, 35(3): 416. [10] ZHANG Hong-bo, SU De-zhi, HE Yan-lan(张洪波, 宿德志, 何焰蓝). Analysis and Tesing Technology and Instruments(分析测试技术与仪器), 2007, 13(3): 190. [11] Pelletier M J, Davis K L, Carpio R A. Electrochem. Soc. Proc., 1995, 95(2): 282. [12] Svensson O, Josefson M, Langkilde F W. Chemometr. Intell. Lab. Syst., 1999, 49: 1. [13] Hancewicz T M, Petty C. Spectrochim Acta A, 1995, 51: 2193. [14] Swierenga H, de Weijer AP, van Wijk RJ, et al. Chemometr. Intell. Lab. Syst., 1999, 49: 1. [15] Li K, Banerjee S. Appl. Spectrosc., 1991, 45: 1047. [16] Berger A J, Koo T W, Itzkan I, et al. Anal. Chem., 1998, 70: 623. [17] SUN Zhen-qiu(孙振球). Statistics of Medicine(医学统计学). Beijing: People’s Medical Publishing House(北京: 人民卫生出版社)，2002.
