SEPARATION OF DIFFRACTION SPECTRA BY PRINCIPAL COMPONENT METHOD BY THE EXAMPLE OF ARIFON DRUG
https://doi.org/10.32362/2500-316X-2019-7-1-102-112
Abstract
The article deals with the results of experimental studies on statistical processing of diffraction spectra of solid drugs for the purpose of their separation and identification. Diffractograms of the original and falsified drugs Arifon were used for the study. They were obtained on a desktop diffractometer Difray 401 produced by Scientific Instruments Inc. (Saint Petersburg, Russia). The research was conducted in the Scilab environment distributed under a free license. The captured diffraction spectra were processed using a smoothing procedure that eliminated the influence of a random component in the original data. Analysis of the results of smoothing by the moving average method showed that the smoothing algorithm with the window 41 point is most preferable. The results of statistical processing of diffractograms of the drugs investigated by the principal component analysis (PCA) in graphical and numerical form, which showed good convergence and efficiency of this method in the separation of diffraction spectra, are presented. The conducted studies make it possible to create a technique that allows identifying solid drugs by X-ray diffraction.
About the Authors
R. V. Chekhova
MIREA - Russian Technological University
Russian Federation
Russian Federation
V. M. Pyshniy
MIREA - Russian Technological University
Russian Federation
Russian Federation
L. A. Pyankova
Scientific Instruments Inc.
Russian Federation
Russian Federation
V. A. Elokhin
Scientific Instruments Inc.
Russian Federation
Russian Federation
References
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Supplementary files
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1. Fig. 6. The matrix of the original data of smoothed diffraction spectra of the original (blue) and falsified (red) drugs Arifon in Xj,2,Xj,1 and Xj,1,Xj,2 coordinates with the P1 principal component image. | |
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For citations:
Chekhova R.V., Pyshniy V.M., Pyankova L.A., Elokhin V.A. SEPARATION OF DIFFRACTION SPECTRA BY PRINCIPAL COMPONENT METHOD BY THE EXAMPLE OF ARIFON DRUG. Russian Technological Journal. 2019;7(1):102-112. (In Russ.) https://doi.org/10.32362/2500-316X-2019-7-1-102-112
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