Identification of liquor authenticity based on FTIR with PCA- LDA
-
摘要: 运用傅里叶变换红外光谱法(FT-IR)采集白酒的红外光谱图,并采用主成分分析法(Principal Component Analysis,PCA)对白酒红外光谱数据进行降维处理,提取累积方差贡献率达到99%以上的主成分作为建模参数,结合线性判别分析法(Linear Discriminant Analysis,LDA)建立基于白酒红外光谱全波段、指纹区和一阶导数谱的白酒真伪鉴别模型。结果显示,采用白酒红外光谱全波段数据所建立的白酒真伪鉴别模型的精度更高,其初始判别准确率为95.6%,交叉验证实验中的判别准确率为91.4%,对测试集中30组样本的判别正确率为86.7%。本研究可以为白酒的真伪鉴别提供技术参考。Abstract: The infrared spectrograms of liquor samples were gathered by FT- IR and principal component analysis was used for datas dimension- reduced processing. The principal components which cumulative variance contribution rate exceed 99% were extracted as the modeling parameters,combined with the discriminant analysis,the liquor authenticity identification model was established based on all wavelengths,fingerprint region and first derivative spectrum of liquors infrared spectroscopy,respectively.The results showed that the discriminant rate of identification model which was established by the all wavelengths data was the highest,the initial discrimination rate was 95.6% and the cross validation test of discriminant rate was 91.4%. The correct discrimination rate of this identification model for the 38 samples in validation set was 86.7%. This study could provide theoretical reference for liquor identification.
-
Keywords:
- liquor authenticity; /
- principal component analysis; /
- linear discriminant analysis; /
- FT-IR; /
-
[1] 袁洁,尹京苑,高海燕.指纹图谱在白酒中的应用研究进展[J].食品科学,2009,29(11):680-684. [2] Friedel M,Patz C D,Dietrich H.Comparison of different measurement techniques and variable selection methods for FT-MIR in wine analysis.[J].Food Chemistry,2013,141(4):4200-4207.
[3] Wu Z,Xu E,Long J,et al.Monitoring of fermentation process parameters of Chinese rice wine using attenuated total reflectance mid-infrared spectroscopy[J].Food Control,2015,50:405-412.
[4] Cozzolino D,Smyth H E,Gishen M.Feasibility Study on the Use of Visible and Near-Infrared Spectroscopy Together with Chemometrics To Discriminate between Commercial White Wines of Different Varietal Origins[J].J.agric.food Chem,2003,51(26):7703-7708.
[5] Fernández P L,Pablos F,MartíN M J,et al.Multi-element analysis of tea beverages by inductively coupled plasma atomic emission spectrometry.Food Chem[J].Food Chemistry,2002,76(4):483-489.
[6] 王忠彦,尹昌树.白酒色谱骨架成分的含量及比例关系对香型和质量的影响[J].酿酒科技,2000(6):93-96. [7] Nagy K,Bongiorno D,Avellone G,et al.High performance liquid chromatography-mass spectrometry based chemometric characterization of olive oils[J].Journal of Chromatography A,2005,1078(1-2):90-97.
[8] Almeida C M,Vasconcelos M T S D.ICP-MS determination of strontium isotope ratio in wine in order to be used as a fingerprint of its regional origin[J].Journal of Analytical Atomic Spectrometry,2001,16(6):607-611.
[9] Qin O,Zhao J,Chen Q,et al.Classification of rice wine according to different marked ages using a novel artificial olfactory technique based on colorimetric sensor array[J].Food Chemistry,2013,138(2-3):1320-1324.
[10] Bot B L,Oulhote Y,Deguen S,et al.Using and interpreting isotope data for source identification[J].Trac Trends in Analytical Chemistry,2011,30(2):302-312.
[11] Quansheng C,Jiao D,Jianrong C,et al.Rapid measurement of total acid content(TAC)in vinegar using near infrared spectroscopy based on efficient variables selection algorithm and nonlinear regression tools[J].Food Chemistry,2012,135(2):590-595.
[12] 刘景旺,张博洋,李树峰,等.近红外吸收光谱技术快速检测奶制品中添加三聚氰胺[J].光散射学报,2010,22(3):291-297. [13] 武晓丹,金哲雄,孙素琴,等.七种不同产地仙鹤草原药材及提取物的红外光谱与二维相关红外光谱的分析与鉴定[J].光谱学与光谱分析,2010,30(12):3222-3227. [14] Shi J Y,Zou X B,Huang X W,et al.Rapid detecting total acid content and classifying different types of vinegar based on near infrared spectroscopy and least-squares support vector machine[J].Food Chemistry,2013,138(1):192-199.
[15] Shen F,Yang D,Ying Y,et al.Discrimination Between Shaoxing Wines and Other Chinese Rice Wines by Near-Infrared Spectroscopy and Chemometrics[J].Food&Bioprocess Technology,2012,5(2):786-795.
[16] Sun S Q,Li C W,Wei J P,et al.Discrimination of Chinese Sauce liquor using FT-IR and two-dimensional correlation IR spectroscopy[J].Journal of Molecular Structure,2006,799(1):72-76.
[17] 邓月娥,孙素琴.FTIR法用于白酒的区分及真伪鉴定[J].现代仪器,2005,11(5):29-30.
计量
- 文章访问数: 178
- HTML全文浏览量: 21
- PDF下载量: 185