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Optics and Spectroscopy, 2020, Volume 128, Issue 10, Pages 1488–1491
DOI: https://doi.org/10.21883/OS.2020.10.50019.161-20 (Mi os280) 		 
This article is cited in 6 scientific papers (total in 6 papers)

Spectroscopy of condensed matter

Raman spectra of glycine and their modeling in the discrete-continuum model of water environment

I. V. Krauklisa, A. V. Tuluba, A. V. Golovina, V. P. Chelibanovb

a Faculty of Physics, Lomonosov Moscow State University
b St. Petersburg National Research University of Information Technologies, Mechanics and Optics
Full-text PDF (770 kB) Citations (6)
DOI: https://doi.org/10.21883/OS.2020.10.50019.161-20
Abstract: The Raman spectra of glycine in crystalline form and in aqueous solution were obtained. The model of stabilization of the zwitterion state of glycine with a single water molecule connected by hydrogen bonds with the –COO- and –NH+3+3 groups is proposed. It is shown that quantum chemical calculations at the level of B3LYP/6-311++G(3df,2p) using the discrete-continuum model of water environment of glycine complexes Gly + nn ⋅⋅ H22O (nn = 1–3) provide a good description of the Raman spectra of glycine.
Keywords: amino acids, glycine, Raman spectroscopy, density functional theory, water environment.
Received: 29.05.2020
Revised: 29.05.2020
Accepted: 16.06.2020
English version:
Optics and Spectroscopy, 2020, Volume 128, Issue 10, Pages 1598–1601
DOI: https://doi.org/10.1134/S0030400X20100161
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: I. V. Krauklis, A. V. Tulub, A. V. Golovin, V. P. Chelibanov, “Raman spectra of glycine and their modeling in the discrete-continuum model of water environment”, Optics and Spectroscopy, 128:10 (2020), 1488–1491; Optics and Spectroscopy, 128:10 (2020), 1598–1601
Citation in format AMSBIB
\Bibitem{KraTulGol20}
\by I.~V.~Krauklis, A.~V.~Tulub, A.~V.~Golovin, V.~P.~Chelibanov
\paper Raman spectra of glycine and their modeling in the discrete-continuum model of water environment
\jour Optics and Spectroscopy
\yr 2020
\vol 128
\issue 10
\pages 1488--1491
\mathnet{http://mi.mathnet.ru/os280}
\crossref{https://doi.org/10.21883/OS.2020.10.50019.161-20}
\elib{https://elibrary.ru/item.asp?id=44154149}
\transl
\jour Optics and Spectroscopy
\yr 2020
\vol 128
\issue 10
\pages 1598--1601
\crossref{https://doi.org/10.1134/S0030400X20100161}
Linking options:
  • https://www.mathnet.ru/eng/os280
  • https://www.mathnet.ru/eng/os/v128/i10/p1488
    • This publication is cited in the following 6 articles:
    1. Mark Christie, Mozhdeh Mohammadpour, Jan Sefcik, Karen Faulds, Karen Johnston, “Uncovering the Vibrational Modes of Zwitterion Glycine in Aqueous Solution”, Vibrational Spectroscopy, 2025, 103783  crossref
    2. G. O. Stepanov, N. N. Rodionova, R. R. Konstantinov, K. A. Subbotin, “Effect of adding technologically processed antibodies to interferon-gamma into a parent solution on the structural features of triglycine sulfate crystals grown from this solution”, Fine Chem. Technol., 18:6 (2024), 517  crossref
    3. Ethan Berger, Juha Niemelä, Outi Lampela, André H. Juffer, Hannu-Pekka Komsa, “Raman Spectra of Amino Acids and Peptides from Machine Learning Polarizabilities”, J. Chem. Inf. Model., 64:12 (2024), 4601  crossref
    4. V. A. Alekseeva, I. V. Krauklis, Yu. V. Chizhov, A. V. Tulub, “Formation of Glycine and Alanine Zwitter-Ionic Structures Within the Discrete-Continuum Model of a Water Solvent: Intramolecular Proton Transfer”, J Struct Chem, 65:11 (2024), 2272  crossref
    5. Zhancong Liang, Zhihao Cheng, Ruifeng Zhang, Yiming Qin, Chak K. Chan, “Distinct photochemistry in glycine particles mixed with different atmospheric nitrate salts”, Atmos. Chem. Phys., 23:16 (2023), 9585  crossref
    6. Caroleny Villalba‐Hernández, María de los Angeles Moyaho‐Bernal, Freddy Narea‐Jiménez, Héctor Nahum Chavarría‐Lizárraga, María Cecilia Galeazzi‐Minutti, Rosendo Carrasco‐Gutiérrez, Jorge Castro‐Ramos, “Periodontitis detection using Raman spectroscopy, support vector machine, and salivary biomarkers”, J Raman Spectroscopy, 53:5 (2022), 911  crossref
    Citing articles in Google Scholar: Russian citations, English citations
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