Abstract
A problem of identification of chemical composition in the absence of sampling procedures is considered. A method that allows identification using spectra of a desired substance is proposed. The measure of the difference between spectral sets is determined. The method is employed in the experiments using a visible and near-UV Fourier spectrometer. The secondary emission of samples is excited by UV sources with maximum intensities at wavelengths of 280 and 310 nm. Anthracene, POPOP, PPO, stilbene, and tryptophan are used in experiments. The ROC curves are constructed and compared to specify the parameters that are used in the algorithm for searching for substances in the database of reference spectra. The results will make it possible to improve the reliability and applicability of express analyzers of chemical substances.
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References
N. Sadlej-Sosnowska, A. Ocios, and L. Fuks, J. Molec. Structure 792, 110 (2006).
S. E. Stein and D. R. Scott, J. Am. Soc. Mass Spectrom. 5, 859 (1994).
I. V. Kochikov, A. N. Morozov, S. I. Svetlichnyi, and I. L. Fufurin, Opt. Spectrosc. 106(5), 666 (2009).
F. Platte and H. M. Heise, J. Molec. Structure (in press).
C. Crespy, P. Duvauchelle, V. Kaftandjian, F. Soulez, and P. Ponard, Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment 623, 1050 (2010).
F. Kruse, A. Lefkoff, J. Boardman, K. Heidebrecht, A. Shapiro, P. Barloon, and A. Goetz, Remote Sensing of Environment 44, 145 (1993).
J. Hartstra, J. Franke, and R. de Zeeuw, J. Chromatography B: Biomedical Sciences and Applications 739, 125 (2000).
P. Paclik, R. Leitner, and R. P. W. Duin, J. Real-Time Image Processing 1, 101 (2006).
B. L. Milman, M. A. Kovrizhnych, and L. A. Konopelko, Accreditation and Quality Assurance 4, 185 (1999).
L. Bodis, A. Ross, and E. Pretsch, Chemometrics and Intelligent Laboratory Systems 85, 1 (2007).
D. L. Huber, Applications of Diode-Array Detection in HPLC Share Hewlett-Packard’s Diode-Array Experience (Hewlett Packard, 1989).
B. Ahrens, D. Blankenhorn, and B. Spangenberg, J. Chromatogr. 772, 11 (2002).
P. Paclik and R. P. Duin, Real-Time Imaging 9, 237 (2003).
M. Herzler, S. Herre, and F. Pragst, J. Analytical Toxicology 27, 233 (2003).
A. Gutirrez-Rodrguez, M. Medina-Prez, J. Martnez-Trinidad, J. Carrasco-Ochoa, and M. Garca-Borroto, Advances in Pattern Recognition, Ed. by J. Martnez-Trinidad, J. Carrasco-Ochoa, and J. Kittler (Springer, Berlin, Heidelberg, 2010), Vol. 6256, pp. 220–229.
F. van der Meero and W. Bakker, Remote Sensing of Environment 61, 371 (1997).
I. V. Kochikov, G. M. Kuramshina, and S. I. Chernik, Computational Mathematics and Modeling 3, 276 (1992).
K. V. Glagolev, I. S. Golyak, I. S. Golyak, A. A. Esakov, V. N. Kornienko, I. V. Kochikov, A. N. Morozov, S. I. Svetlichnyi, and S. E. Tabalin, Opt. Spectrosc. 110(3), 449 (2011).
I. S. Golyak, A. A. Esakov, N. S. Vasil’ev, and A. N. Morozov, Opt. Spectrosc. 115(6), 884 (2013).
S. K. Dvoruk, V. N. Kornienko, I. V. Kochikov, M. V. Lel’kov, A. N. Morozov, V. A. Pozdnyakov, S. I. Svetlichnyi, and S. E. Tabalin, Opt. Spectrosc. 93(6), 970 (2002).
N. Tan, W. Fisher, K. Rosenblatt, and H. Garner, BMC Bioinformatics 10, 144 (2009).
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Original Russian Text © N.S. Vasil’ev, Il.S. Golyak, A.N. Morozov, 2015, published in Optika i Spektroskopiya, 2015, Vol. 118, No. 1, pp. 157–162.
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Vasil’ev, N.S., Golyak, I.S. & Morozov, A.N. An algorithm for identification of substances using a finite set of secondary-emission spectra. Opt. Spectrosc. 118, 151–156 (2015). https://doi.org/10.1134/S0030400X1412025X
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DOI: https://doi.org/10.1134/S0030400X1412025X