Research of Drug Types Based on Raman Spectroscopy and PCA-KNN Algorithm

As the number of synthetic drug abusers in China rising, problems and phenomena were encountered in practical use. A rapid and convenient method for the identification of methcathinone and ephedrine was needed. In this paper, Ion mobility spectrometry (IMS) and Raman spectroscopy were used in combination to characterize methcathinone and ephedrine from different sources. We use spectral data fusion combined with Principal Components Analysis (PCA) and K-Nearest Neighbors (KNN) algorithm to identify the two types of drugs. The experimental data show that the fusion data compared to the single spectral data were used to identify and effectively improve the recognition rate and accuracy for the identification of drugs. The results from this study demonstrated that the Raman-IMS combined with PCA-KNN model can used as a safe, rapid and reliable analysis method for identification of drugs.

[1]  Yaxin Bi,et al.  KNN Model-Based Approach in Classification , 2003, OTM.

[2]  Li Chong-yan.  The Harm and Determination of New Designer Methcathinone Anologs , 2014 .

[3]  Walter Daelemans,et al.  Memory-based learning , 2010 .

[4]  M. Sillanpää,et al.  Ion mobility spectrometry and its applications in detection of chemical warfare agents. , 2010, Analytical chemistry.

[5]  Ricard Boqué,et al.  Data fusion methodologies for food and beverage authentication and quality assessment - a review. , 2015, Analytica chimica acta.

[6]  Z. Karpas,et al.  Ion mobility spectrometry , 1993, Breathborne Biomarkers and the Human Volatilome.

[7]  F. Fernández,et al.  Direct analysis in real time coupled to multiplexed drift tube ion mobility spectrometry for detecting toxic chemicals. , 2011, Analytical chemistry.

[8]  Wang Ding-fang.  Rapid Analysis of Common Illicit Drugs and the Added Ingredients by Raman Spectroscopy , 2012 .

[9]  Andrea D. Magrì,et al.  Data-fusion for multiplatform characterization of an Italian craft beer aimed at its authentication. , 2014, Analytica chimica acta.

[10]  Walter Daelemans,et al.  Memory-Based Learning , 2010, Encyclopedia of Machine Learning.

[11]  Joachim Selbig,et al.  Principal components analysis. , 2013, Methods in molecular biology.

[12]  P. Massart,et al.  From Model Selection to Adaptive Estimation , 1997 .

[13]  R. Ewing,et al.  A critical review of ion mobility spectrometry for the detection of explosives and explosive related compounds. , 2001, Talanta.

[14]  Rong Li,et al.  Chemometric classification of Chinese lager beers according to manufacturer based on data fusion of fluorescence, UV and visible spectroscopies. , 2015, Food chemistry.

[15]  Brian H. Clowers,et al.  Hadamard Transform Ion Mobility Spectrometry , 2006 .