Bagrat A. Shainyan

Prof. Dr. Bagrat A. Shainyan

Siberian Branch of Russian Academy of Sciences, A.E. Favorsky Irkutsk Institute of Chemistry, Irkutsk, Russia
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Research Focus & Metrics

Academic Career Length

24Years (2003-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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20 November 2012 in Chemical Reviews
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Journal Article
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Bagrat A. ShainyanBagrat A. Shainyan
Bagrat A. Shainyan
LTLjudmila L. Tolstikova
Ljudmila L. Tolstikova

10 April 2021 in Molecules
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Journal Article
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LZLarisa V. Zhilitskaya
Larisa V. Zhilitskaya
Bagrat A. ShainyanBagrat A. Shainyan
Bagrat A. Shainyan
NYNina O. Yarosh
Nina O. Yarosh
The review is devoted to modern trends in the chemistry of 2-amino and 2-mercapto substituted benzothiazoles covering the literature since 2015. The reviewed heterocycles belong to biologically active and industrially demanded compounds. Newly developed synthesis methods can be divided into conventional multistep processes and one-pot, atom economy procedures, realized using green chemistry principles and simple reagents. The easy functionalization of the 2-NH2 and 2-SH groups and the benzene ring of the benzothiazole moiety allows considering them as highly reactive building blocks for organic and organoelement synthesis, including the synthesis of pharmacologically active heterocycles. The review provides a summary of findings, which may be useful for developing new drugs and materials and new synthetic approaches and patterns of reactivity.

4 October 2008 in The Journal of Physical Chemistry A
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Bagrat A. ShainyanBagrat A. Shainyan
Bagrat A. Shainyan
AFAnja Fettke
Anja Fettke
EKErich Kleinpeter
Erich Kleinpeter

1 July 2005 in Journal of Molecular Catalysis A: Chemical
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FSF.K. Shmidt
F.K. Shmidt
LNL.O. Nindakova
L.O. Nindakova
Bagrat A. ShainyanBagrat A. Shainyan
Bagrat A. Shainyan
VSV.V. Saraev
V.V. Saraev
NCN.N. Chipanina
N.N. Chipanina
VUV.A. Umanetz
V.A. Umanetz

24 January 2012 in Journal of Physical Organic Chemistry
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Bagrat A. ShainyanBagrat A. Shainyan
Bagrat A. Shainyan
NCNina. N. Chipanina
Nina. N. Chipanina
LOLarisa. P. Oznobikhina
Larisa. P. Oznobikhina

27 December 2020 in ACS Omega
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Journal Article
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AKAnton Kuzmin
Anton Kuzmin
Bagrat A. ShainyanBagrat A. Shainyan
Bagrat A. Shainyan
The mechanism of oxygen reduction reaction (ORR) on transition metal-doped nitrogen codoped single-walled nanotubes, C114H24MN4 (MN4-CNT where M = Zn, Cu, or Ag; N = pyridinic nitrogen), has been studied with the density functional theory method at the ωB97XD/DGDZVP level of theory. The charge density analysis revealed two active sites of the catalyst toward ORR: the MN4 site and the C═C bond of the N–C═C–N metal-chelating fragment (C2 site). The structure of O-containing adsorbates (O2*, HOO*, O*, HO*, etc.) on the two sites and the corresponding adsorption energies were determined. The analysis of the free energy diagrams allows to conclude that the 4e– mechanism of ORR is thermodynamically preferable for all the studied catalysts. The probability of the 2e– mechanism of ORR with the formation of hydrogen peroxide decreases in the order Cu > Ag > Zn. The most and the least exergonic steps of the conventional 4e– mechanism of ORR on each active site of model catalysts as well as the electrode potentials of deceleration and of maximum catalytic activity in both acidic and alkaline media are determined. The relative catalytic activity toward ORR increases in the order Zn < Ag ≪ Cu and is mainly attributed to the C2 site rather than the MN4 site, while combined catalytic activity of the two sites (AgN4/C2 sites) is predicted for the AgN4-CNT catalyst.