<?xml version="1.0" encoding="UTF-8"?>
<!DOCTYPE article PUBLIC "-//NLM//DTD JATS (Z39.96) Journal Publishing DTD v1.3 20210610//EN" "JATS-journalpublishing1-3.dtd">
<article article-type="research-article" dtd-version="1.3" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xml:lang="ru"><front><journal-meta><journal-id journal-id-type="publisher-id">nguphys</journal-id><journal-title-group><journal-title xml:lang="ru">Сибирский физический журнал</journal-title><trans-title-group xml:lang="en"><trans-title>SIBERIAN JOURNAL OF PHYSICS</trans-title></trans-title-group></journal-title-group><issn pub-type="ppub">2541-9447</issn><publisher><publisher-name>Новосибирский государственный университет</publisher-name></publisher></journal-meta><article-meta><article-id pub-id-type="doi">10.25205/2541-9447-2018-13-3-110-116</article-id><article-id custom-type="elpub" pub-id-type="custom">nguphys-57</article-id><article-categories><subj-group subj-group-type="heading"><subject>Research Article</subject></subj-group><subj-group subj-group-type="section-heading" xml:lang="ru"><subject>КОМБИНАЦИОННОЕ РАССЕЯНИЕ - 90 ЛЕТ ИССЛЕДОВАНИЙ</subject></subj-group></article-categories><title-group><article-title>ДИАГНОСТИКА ВОДНО-ЭТАНОЛЬНЫХ РАСТВОРОВ С ПОМОЩЬЮ СПЕКТРОСКОПИИ КОМБИНАЦИОННОГО РАССЕЯНИЯ И ИСКУССТВЕННЫХ НЕЙРОННЫХ СЕТЕЙ</article-title><trans-title-group xml:lang="en"><trans-title>DIAGNOSTICS OF AQUEOUS ETHANOL SOLUTIONS USING RAMAN SPECTROSCOPY AND ARTIFICIAL NEURAL NETWORKS</trans-title></trans-title-group></title-group><contrib-group><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Пластинин</surname><given-names>И. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Plastinin</surname><given-names>I. V.</given-names></name></name-alternatives><email xlink:type="simple">plastinin_ivan@mail.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Буриков</surname><given-names>С. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Burikov</surname><given-names>S. A.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Доленко</surname><given-names>Т. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Dolenko</surname><given-names>T. A.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Ефиторов</surname><given-names>А. О.</given-names></name><name name-style="western" xml:lang="en"><surname>Efitorov</surname><given-names>A. O.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Исаев</surname><given-names>И. В.</given-names></name><name name-style="western" xml:lang="en"><surname>Isaev</surname><given-names>I. V.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Лаптинский</surname><given-names>К. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Laptinskiy</surname><given-names>K. A.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Сарманова</surname><given-names>О. Э.</given-names></name><name name-style="western" xml:lang="en"><surname>Sarmanova</surname><given-names>O. S.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib><contrib contrib-type="author" corresp="yes"><name-alternatives><name name-style="eastern" xml:lang="ru"><surname>Доленко</surname><given-names>С. А.</given-names></name><name name-style="western" xml:lang="en"><surname>Dolenko</surname><given-names>S. A.</given-names></name></name-alternatives><email xlink:type="simple">noemail@neicon.ru</email><xref ref-type="aff" rid="aff-1"/></contrib></contrib-group><aff-alternatives id="aff-1"><aff xml:lang="ru"><institution>Московский государственный университет им. М. В. Ломоносова</institution><country>Россия</country></aff><aff xml:lang="en"><institution>Lomonosov Moscow State University</institution><country>Russian Federation</country></aff></aff-alternatives><pub-date pub-type="collection"><year>2018</year></pub-date><pub-date pub-type="epub"><day>26</day><month>10</month><year>2020</year></pub-date><volume>13</volume><issue>3</issue><fpage>110</fpage><lpage>116</lpage><permissions><copyright-statement>Copyright &amp;#x00A9; Пластинин И.В., Буриков С.А., Доленко Т.А., Ефиторов А.О., Исаев И.В., Лаптинский К.А., Сарманова О.Э., Доленко С.А., 2020</copyright-statement><copyright-year>2020</copyright-year><copyright-holder xml:lang="ru">Пластинин И.В., Буриков С.А., Доленко Т.А., Ефиторов А.О., Исаев И.В., Лаптинский К.А., Сарманова О.Э., Доленко С.А.</copyright-holder><copyright-holder xml:lang="en">Plastinin I.V., Burikov S.A., Dolenko T.A., Efitorov A.O., Isaev I.V., Laptinskiy K.A., Sarmanova O.S., Dolenko S.A.</copyright-holder><license xml:lang="ru" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>Данная работа распространяется под лицензией Creative Commons Attribution 4.0.</license-p></license><license xml:lang="en" license-type="creative-commons-attribution" xlink:href="https://creativecommons.org/licenses/by/4.0/" xlink:type="simple"><license-p>This work is licensed under a Creative Commons Attribution 4.0 License.</license-p></license></permissions><self-uri xlink:href="https://nguphys.elpub.ru/jour/article/view/57">https://nguphys.elpub.ru/jour/article/view/57</self-uri><abstract><p>Использован метод искусственных нейронных сетей для решения обратной задачи спектроскопии - для определения концентрации этанола, метанола, сивушного масла, этилацетата в водно-этанольных растворах по спектрам комбинационного рассеяния. Были получены следующие точности определения концентраций: 0,2 % для этанола, 2,7 % для метанола, 0,4 % для сивушного масла, 1,9 % для этилацетата. Результаты решения обратной задачи показали перспективность применения предложенных методов для диагностики водно-этанольных растворов и алкогольных напитков. Полученные результаты демонстрируют перспективы применения спектроскопии комбинационного рассеяния света в сочетании с современными методами обработки данных (методом искусственных нейронных сетей) для решения задач диагностики водно-этанольных растворов и алкогольных напитков. Предложенные подходы могут быть в дальнейшем использованы для разработки экспрессного неконтактного метода обнаружения вредных и опасных примесей в алкогольных напитках, а также для обнаружения контрафактных и низкокачественных напитков.</p></abstract><trans-abstract xml:lang="en"><p>In this paper, the method of artificial neural networks was used to solve the inverse problem of spectroscopy - to determine the concentration of ethanol, methanol, fusel oil, ethyl acetate in aqueous ethanol solutions using spectra of Raman scattering. The following accuracy of concentration determination was obtained: 0.2 % for ethanol, 2.7 % for methanol, 0.4 % for fusel oil, 1.9 % for ethyl acetate. The results of the solution of the inverse problem demonstrated prospects of the proposed methods for the diagnostics of water-ethanol solutions and alcoholic beverages. The obtained results demonstrate the prospects of using Raman spectroscopy in combination with modern methods of data processing (artificial neural networks) for solution of the problems of diagnostics of aqueous ethanol solutions and alcoholic beverages. The proposed approaches can be further used for development of the express non-contact method of detection of harmful and dangerous impurities in alcoholic beverages, as well as for the detection of counterfeit and low-quality beverages.</p></trans-abstract><kwd-group xml:lang="ru"><kwd>комбинационное рассеяние</kwd><kwd>искусственные нейронные сети</kwd><kwd>водно-этанольные растворы</kwd></kwd-group><kwd-group xml:lang="en"><kwd>Raman spectroscopy</kwd><kwd>artificial neural networks</kwd><kwd>aqueous ethanol solutions</kwd></kwd-group></article-meta></front><back><ref-list><title>References</title><ref id="cit1"><label>1</label><citation-alternatives><mixed-citation xml:lang="ru">Iland, Ewart, Sitters, Markides &amp; Bruer. Techniques for chemical analysis and quality monitoring during winemaking. Patrick Iland Wine Promotions, 2000.</mixed-citation><mixed-citation xml:lang="en">Iland, Ewart, Sitters, Markides &amp; Bruer. Techniques for chemical analysis and quality monitoring during winemaking. Patrick Iland Wine Promotions, 2000.</mixed-citation></citation-alternatives></ref><ref id="cit2"><label>2</label><citation-alternatives><mixed-citation xml:lang="ru">Owuama C. I., Ododo J. C. Refractometric determination of ethanol concentration // Food Chemistry. 1993. Vol. 48. Is. 4. P. 415- 417</mixed-citation><mixed-citation xml:lang="en">Owuama C. I., Ododo J. C. Refractometric determination of ethanol concentration // Food Chemistry. 1993. Vol. 48. Is. 4. P. 415- 417</mixed-citation></citation-alternatives></ref><ref id="cit3"><label>3</label><citation-alternatives><mixed-citation xml:lang="ru">Fuerst A. F. Determination of Alcohol by Pycnometer // Industrial &amp; Engineering Chemistry Analytical Edition. 1930. Vol. 2. No. 1. P. 30-31</mixed-citation><mixed-citation xml:lang="en">Fuerst A. F. Determination of Alcohol by Pycnometer // Industrial &amp; Engineering Chemistry Analytical Edition. 1930. Vol. 2. No. 1. P. 30-31</mixed-citation></citation-alternatives></ref><ref id="cit4"><label>4</label><citation-alternatives><mixed-citation xml:lang="ru">Leary J. J. A Quantitative Gas Chromatographic Ethanol Determination A Contemporary Analytical Experiment // J. Chem. Educ. 1983. Vol. 60. No. 8. P. 675.</mixed-citation><mixed-citation xml:lang="en">Leary J. J. A Quantitative Gas Chromatographic Ethanol Determination A Contemporary Analytical Experiment // J. Chem. Educ. 1983. Vol. 60. No. 8. P. 675.</mixed-citation></citation-alternatives></ref><ref id="cit5"><label>5</label><citation-alternatives><mixed-citation xml:lang="ru">Meden F. Isaac-Lam. Determination of Alcohol Content in Alcoholic Beverages Using 45MHz Benchtop NMR Spectrometer // International Journal of Spectroscopy. 2016. Article ID 2526946, 8 pages.</mixed-citation><mixed-citation xml:lang="en">Meden F. Isaac-Lam. Determination of Alcohol Content in Alcoholic Beverages Using 45MHz Benchtop NMR Spectrometer // International Journal of Spectroscopy. 2016. Article ID 2526946, 8 pages.</mixed-citation></citation-alternatives></ref><ref id="cit6"><label>6</label><citation-alternatives><mixed-citation xml:lang="ru">Andoni Zuriarrain, Juan Zuriarrain, Mercedes Villar, Inaki Berregi. Quantitative determination of ethanol in cider by 1H NMR spectrometry // Food Control. 2015. Vol. 50. P. 758-762</mixed-citation><mixed-citation xml:lang="en">Andoni Zuriarrain, Juan Zuriarrain, Mercedes Villar, Inaki Berregi. Quantitative determination of ethanol in cider by 1H NMR spectrometry // Food Control. 2015. Vol. 50. P. 758-762</mixed-citation></citation-alternatives></ref><ref id="cit7"><label>7</label><citation-alternatives><mixed-citation xml:lang="ru">Theodore E. Friedemann and Rosalind Klaas. The determination of ethyl alcohol // J. Biol. Chem. 1936. Vol. 115. P. 47-61.</mixed-citation><mixed-citation xml:lang="en">Theodore E. Friedemann and Rosalind Klaas. The determination of ethyl alcohol // J. Biol. Chem. 1936. Vol. 115. P. 47-61.</mixed-citation></citation-alternatives></ref><ref id="cit8"><label>8</label><citation-alternatives><mixed-citation xml:lang="ru">Dirk W. Lachenmeier, Rolf Godelmann, Markus Steiner, Bob Ansay, Jürgen Weigel and Gunther Krieg. Rapid and mobile determination of alcoholic strength in wine, beer and spirits using a flow-through infrared sensor // Chemistry Central Journal. 2010. Vol. 4. P. 5</mixed-citation><mixed-citation xml:lang="en">Dirk W. Lachenmeier, Rolf Godelmann, Markus Steiner, Bob Ansay, Jürgen Weigel and Gunther Krieg. Rapid and mobile determination of alcoholic strength in wine, beer and spirits using a flow-through infrared sensor // Chemistry Central Journal. 2010. Vol. 4. P. 5</mixed-citation></citation-alternatives></ref><ref id="cit9"><label>9</label><citation-alternatives><mixed-citation xml:lang="ru">Буриков С. А., Доленко Т. А., Пацаева С. В., Южаков В. И. Диагностика водно-этанольных растворов методом спектроскопии комбинационного рассеяния света // Оптика атмосферы и океана. 2009. Т. 22, № 11. С. 1082-1088.</mixed-citation><mixed-citation xml:lang="en">Буриков С. А., Доленко Т. А., Пацаева С. В., Южаков В. И. Диагностика водно-этанольных растворов методом спектроскопии комбинационного рассеяния света // Оптика атмосферы и океана. 2009. Т. 22, № 11. С. 1082-1088.</mixed-citation></citation-alternatives></ref><ref id="cit10"><label>10</label><citation-alternatives><mixed-citation xml:lang="ru">Kerem Ilaslan, Ismail Hakki Boyaci, Ali Topcu. Rapid analysis of glucose, fructose and sucrose contents of commercial soft drinks using Raman spectroscopy // Food Control. 2015. Vol. 48. P. 56-61.</mixed-citation><mixed-citation xml:lang="en">Kerem Ilaslan, Ismail Hakki Boyaci, Ali Topcu. Rapid analysis of glucose, fructose and sucrose contents of commercial soft drinks using Raman spectroscopy // Food Control. 2015. Vol. 48. P. 56-61.</mixed-citation></citation-alternatives></ref><ref id="cit11"><label>11</label><citation-alternatives><mixed-citation xml:lang="ru">Ismail Hakki Boyaci, Hüseyin Efe Genis, Burcu Guven, Ugur Tamer and Neslihan Alper. A novel method for quantification of ethanol and methanol in distilled alcoholic beverages using Raman spectroscopy // J. Raman Spectroscopy. 2012. Vol. 43. Is. 8. P. 1171- 1176.</mixed-citation><mixed-citation xml:lang="en">Ismail Hakki Boyaci, Hüseyin Efe Genis, Burcu Guven, Ugur Tamer and Neslihan Alper. A novel method for quantification of ethanol and methanol in distilled alcoholic beverages using Raman spectroscopy // J. Raman Spectroscopy. 2012. Vol. 43. Is. 8. P. 1171- 1176.</mixed-citation></citation-alternatives></ref><ref id="cit12"><label>12</label><citation-alternatives><mixed-citation xml:lang="ru">Naiping Hu, Dan Wu, Kelly Cross, Sergey Burikov, Tatiana Dolenko, Svetlana Patsaeva, Dale W. Schaefer. Structurability: A Collective Measure of the Structural Differences in Vodkas // J. Agricultural and Food Chemistry. 2010. Vol. 58. No. 12. P. 7394- 7401</mixed-citation><mixed-citation xml:lang="en">Naiping Hu, Dan Wu, Kelly Cross, Sergey Burikov, Tatiana Dolenko, Svetlana Patsaeva, Dale W. Schaefer. Structurability: A Collective Measure of the Structural Differences in Vodkas // J. Agricultural and Food Chemistry. 2010. Vol. 58. No. 12. P. 7394- 7401</mixed-citation></citation-alternatives></ref><ref id="cit13"><label>13</label><citation-alternatives><mixed-citation xml:lang="ru">Johannes Kiefer, Agnita Lynda Cromwell. Analysis of single malt Scotch whisky using Raman spectroscopy // Anal. Methods. 2017. Vol. 9. P. 511-518</mixed-citation><mixed-citation xml:lang="en">Johannes Kiefer, Agnita Lynda Cromwell. Analysis of single malt Scotch whisky using Raman spectroscopy // Anal. Methods. 2017. Vol. 9. P. 511-518</mixed-citation></citation-alternatives></ref><ref id="cit14"><label>14</label><citation-alternatives><mixed-citation xml:lang="ru">Mohamad H. Hassoun. Fundamentals of Artificial Neural Networks. MIT Press, Cambridge, Massachusetts, 1995. 515 p.</mixed-citation><mixed-citation xml:lang="en">Mohamad H. Hassoun. Fundamentals of Artificial Neural Networks. MIT Press, Cambridge, Massachusetts, 1995. 515 p.</mixed-citation></citation-alternatives></ref><ref id="cit15"><label>15</label><citation-alternatives><mixed-citation xml:lang="ru">Lippman R. P. An introduction to computing with neural nets // IEEE ASSP Mag. 1987. Vol. 3. No. 2. P. 7-25.</mixed-citation><mixed-citation xml:lang="en">Lippman R. P. An introduction to computing with neural nets // IEEE ASSP Mag. 1987. Vol. 3. No. 2. P. 7-25.</mixed-citation></citation-alternatives></ref><ref id="cit16"><label>16</label><citation-alternatives><mixed-citation xml:lang="ru">Dolenko S., Burikov S., Dolenko T., Efitorov A., Gushchin K., Persiantsev I. Neural network approaches to solution of the inverse problem of identification and determination of partial concentrations of salts in multiсomponent water solutions // Lecture Notes in Computer Science. 2014. Vol. 8681. С. 805- 812</mixed-citation><mixed-citation xml:lang="en">Dolenko S., Burikov S., Dolenko T., Efitorov A., Gushchin K., Persiantsev I. Neural network approaches to solution of the inverse problem of identification and determination of partial concentrations of salts in multiсomponent water solutions // Lecture Notes in Computer Science. 2014. Vol. 8681. С. 805- 812</mixed-citation></citation-alternatives></ref><ref id="cit17"><label>17</label><citation-alternatives><mixed-citation xml:lang="ru">María J. Martelo-Vidal &amp; Manuel Vázquez. Application of artificial neural networks coupled to UV-VIS-NIR spectroscopy for the rapid quantification of wine compounds in aqueous mixtures // CyTA - Journal of Food. 2015. Vol. 13. No. 1. P. 32-39</mixed-citation><mixed-citation xml:lang="en">María J. Martelo-Vidal &amp; Manuel Vázquez. Application of artificial neural networks coupled to UV-VIS-NIR spectroscopy for the rapid quantification of wine compounds in aqueous mixtures // CyTA - Journal of Food. 2015. Vol. 13. No. 1. P. 32-39</mixed-citation></citation-alternatives></ref><ref id="cit18"><label>18</label><citation-alternatives><mixed-citation xml:lang="ru">Liu W., Yang W., Liu L., Yu Q. Use of Artificial Neural Networks in Near-Infrared Spectroscopy Calibrations for Predicting Glucose Concentration in Urine // Huang D. S., Wunsch D. C., Levine D. S., Jo K. H. (eds.) Advanced Intelligent Computing Theories and Applications. With Aspects of Theoretical and Methodological Issues. ICIC 2008. Lecture Notes in Computer Science. Springer, Berlin, Heidelberg, 2008. Vol. 5226.</mixed-citation><mixed-citation xml:lang="en">Liu W., Yang W., Liu L., Yu Q. Use of Artificial Neural Networks in Near-Infrared Spectroscopy Calibrations for Predicting Glucose Concentration in Urine // Huang D. S., Wunsch D. C., Levine D. S., Jo K. H. (eds.) Advanced Intelligent Computing Theories and Applications. With Aspects of Theoretical and Methodological Issues. ICIC 2008. Lecture Notes in Computer Science. Springer, Berlin, Heidelberg, 2008. Vol. 5226.</mixed-citation></citation-alternatives></ref><ref id="cit19"><label>19</label><citation-alternatives><mixed-citation xml:lang="ru">Environmental Health Criteria 196: Methanol by the International Programme on Chemical Safety (IPCS) under the joint sponsorship of the United Nations Environment Programme, the International Labour Organisation and the World Health Organization. 1997. P. 1-9</mixed-citation><mixed-citation xml:lang="en">Environmental Health Criteria 196: Methanol by the International Programme on Chemical Safety (IPCS) under the joint sponsorship of the United Nations Environment Programme, the International Labour Organisation and the World Health Organization. 1997. P. 1-9</mixed-citation></citation-alternatives></ref><ref id="cit20"><label>20</label><citation-alternatives><mixed-citation xml:lang="ru">Вредные вещества в промышленности. Справочник для химиков, инженеров и врачей: В 3 т. 7-е изд. / Под ред. Н. В. Лазарева, Э. Н. Левиной. Л., 1954. Т. 1: Органические вещества.</mixed-citation><mixed-citation xml:lang="en">Вредные вещества в промышленности. Справочник для химиков, инженеров и врачей: В 3 т. 7-е изд. / Под ред. Н. В. Лазарева, Э. Н. Левиной. Л., 1954. Т. 1: Органические вещества.</mixed-citation></citation-alternatives></ref><ref id="cit21"><label>21</label><citation-alternatives><mixed-citation xml:lang="ru">Gosselin R. E., Smith R. P., Hodge H. C. Clinical Toxicology of Commercial Products. 5th ed. Baltimore (MD): Williams &amp; Wilkins. 1984.</mixed-citation><mixed-citation xml:lang="en">Gosselin R. E., Smith R. P., Hodge H. C. Clinical Toxicology of Commercial Products. 5th ed. Baltimore (MD): Williams &amp; Wilkins. 1984.</mixed-citation></citation-alternatives></ref><ref id="cit22"><label>22</label><citation-alternatives><mixed-citation xml:lang="ru">Неотложная помощь при острых отравлениях / Под ред. С. Н. Голикова. М.: Медицина, 1977.</mixed-citation><mixed-citation xml:lang="en">Неотложная помощь при острых отравлениях / Под ред. С. Н. Голикова. М.: Медицина, 1977.</mixed-citation></citation-alternatives></ref><ref id="cit23"><label>23</label><citation-alternatives><mixed-citation xml:lang="ru">Ismail Hakki Boyaci, Hüseyin Efe Genis, Burcu Guven, Ugur Tamer, Neslihan Al-per. A novel method for quantification of ethanol and methanol in distilled alcoholic beverages using Raman spectroscopy // J. Raman Spectrosc. 2012. Vol. 43. P. 1171-1176</mixed-citation><mixed-citation xml:lang="en">Ismail Hakki Boyaci, Hüseyin Efe Genis, Burcu Guven, Ugur Tamer, Neslihan Al-per. A novel method for quantification of ethanol and methanol in distilled alcoholic beverages using Raman spectroscopy // J. Raman Spectrosc. 2012. Vol. 43. P. 1171-1176</mixed-citation></citation-alternatives></ref></ref-list><fn-group><fn fn-type="conflict"><p>The authors declare that there are no conflicts of interest present.</p></fn></fn-group></back></article>
