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Diagnostics of Xenobiotics in Water by Raman Spectra

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Bulletin of the Russian Academy of Sciences: Physics Aims and scope

Abstract

We presented the results of applying machine learning methods to solve a multi-parameter inverse problem of optical spectroscopy—determining the type and concentration of dissolved medicinal substances in a multicomponent aqueous solution from Raman spectra. It has been established that the use of neural networks for solving the inverse problem provides an order of magnitude increase in the accuracy of determining the concentrations of all drugs from the Raman spectra of aqueous solutions compared to the calibration straight lines.

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REFERENCES

  1. Bottoni, P., Caroli, S., and Caracciolo, A.B., Toxicol. Environ. Chem., 2010, vol. 92, no. 3, p. 549.

    Article  CAS  Google Scholar 

  2. Mehrabad, J.T., Aghazadeh, M., Maragheh, M.G., Ganjali, M.R., and Norouzi, P., Mater. Lett., 2016, vol. 184, p. 223.

    Article  CAS  Google Scholar 

  3. Wilkinson, J.L., Boxall, A.B.A., Kolpin, D.W., Leung, K.M.Y., Lai, R.W.S., Galbán-Malagón, C., Adell, A.D., Mondon, J., Metian, M., Marchant, R.A., Bouzas-Monroy, A., Cuni-Sanchez, A., Coors, A., Carriquiriborde, P., Rojo, M., Gordon, C., Cara, M., Moermond, M., Luarte, T., et al., Proc. Natl. Acad. Sci. U. S. A., 2022, vol. 119, no. 8, p. e2113947119.

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  4. Wu, S., Zhang, L., and Chen, J., Appl. Microbiol. Biotechnol., 2012, vol. 96, no. 4, p. 875.

    Article  CAS  PubMed  Google Scholar 

  5. Żur, J., Piński, A., Marchlewicz, A., Hupert-Kocurek, K., Wojcieszyńska, D., and Guzik, U., Environ. Sci. Pollut. Res., 2018, vol. 25, no. 22, p. 21498.

    Article  Google Scholar 

  6. Allakhverdiev, E.S., Khabatova, V.V., Kossalbayev, B.D., Zadneprovskaya, E.V., Rodnenkov, O.V., Martynyuk, T.V., Maksimov, G.V., Alwasel, S., Tomo, T., and Allakhverdiev, S.I., Cells, 2022, vol. 11, no. 3, p. 386.

    Article  CAS  PubMed  PubMed Central  Google Scholar 

  7. Burikov S.A., Dolenko T.A., Fadeev V.V., and Sugonyaev A.V., Laser Phys., 2005, vol.15, no. 8, p. 1.

    Google Scholar 

  8. Gerdova, I.V., Dolenko, S.A.; Dolenko, T.A., Churina, I.V., and Fadeev, V.V., Izv. Akad. Nauk, Ser. Fiz., 2002, vol. 66, no. 8, p. 1116.

    CAS  Google Scholar 

  9. Laptinskiy, K.A., Burikov, S.A., Sarmanova, O.E., Vervald, A.M., Utegenova, L.S., Plastinin, I.V., and Dolenko, T.A., Opt. Spektrosk., 2023, vol. 131, no. 6, p. 810.

    Google Scholar 

  10. Efitorov, A., Dolenko, S., Dolenko, T., Laptinskiy, K., and Burikov, S., Opt. Mem. Neural Networks, 2018, vol. 27, no. 2, p. 89.

    Article  Google Scholar 

  11. Vandenginste, B.G.M., Massart, D.L., Buydens, L.M.C., De Jong, S., Lewi, P.J., and Smeyers-Verbeke, J., Handbook of Chemometrics and Qualimetrics, Amsterdam: Elsevier, 1998.

    Google Scholar 

  12. Rinnan, Å., van der Berg, F., and Engelsen, S.B., TrAC, Trends Anal. Chem., 2009, vol. 28, no. 10, p. 1201.

    Article  CAS  Google Scholar 

  13. Chi, M., Han, X., Xu, Y., Wang, Y., Shu, F., Zhou, W., and Wu, Y., Appl. Spectrosc., 2018, vol. 73, no. 1, p. 78.

    PubMed  Google Scholar 

  14. Korepanov, V.I., J. Phys. Chem. B, 2023, vol. 127, no. 5, p. 1287.

    Article  CAS  PubMed  Google Scholar 

  15. Davis, J.G., Gierszal, K.P., Wang, P., and Ben-Amotz, D., Nature, 2012, vol. 491, no. 7425, p. 582.

    Article  CAS  PubMed  ADS  Google Scholar 

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Funding

The work was supported by a grant from the President of the Russian Federation (MK-2143.2022.4).

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Authors and Affiliations

  1. Skobeltsyn Institute of Nuclear Physics, Moscow State University, 119991, Moscow, Russia

    K. A. Laptinskiy, O. E. Sarmanova & T. A. Dolenko

  2. Faculty of Physics, Moscow State University, 119991, Moscow, Russia

    M. Yu. Khmeleva, O. E. Sarmanova, A. M. Vervald, L. S. Utegenova & T. A. Dolenko

Authors
  1. K. A. Laptinskiy
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  2. M. Yu. Khmeleva
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  3. O. E. Sarmanova
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  4. A. M. Vervald
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  5. L. S. Utegenova
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  6. T. A. Dolenko
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Corresponding author

Correspondence to K. A. Laptinskiy.

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Laptinskiy, K.A., Khmeleva, M.Y., Sarmanova, O.E. et al. Diagnostics of Xenobiotics in Water by Raman Spectra. Bull. Russ. Acad. Sci. Phys. 87 (Suppl 1), S8–S13 (2023). https://doi.org/10.1134/S106287382370435X

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  • DOI: https://doi.org/10.1134/S106287382370435X

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