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Vestnik SamGU. Estestvenno-Nauchnaya Ser., 2014, Issue 3(114), Pages 148–153 (Mi vsgu362)  
Chemistry

Theoretical study of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)carbonate formation possibility in reaction of nucleotides and $N,N'$-acylbisazoles by quantum-chemical methods

I. V. Lazareva, Z. P. Belousova, Yu. P. Zarubin, P. P. Purygin

Samara State University, Samara, 443011, Russian Federation
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Abstract: Nucleoside-$5'$-phosphates and $N,N'$-(thio)carbonylbisazoles interaction was studied for the evaluation of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)carbonate formation possibility by the semi-empirical method PM6 of SCIGRESS Modeling 3.0.0 software. Azole moiety involves imidazole fragment. It was shown that formation of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)carbonates is energetically less efficient than formation of nucleotide-$5'$-phosphorazolides.
Keywords: imidazole, $N,N'$-acylbisazoles, nucleotide-$5'$-phosphates, interaction, nucleoside-$5'$-phosphorazolides, $2',3'$-cyclo(thio)carbonates, semi-empirical method PM6, thermodynamic parameters.
Received: 02.04.2014
Revised: 02.04.2014
Document Type: Article
UDC: 547.78+577.113.3+544.183
Language: Russian
Citation: I. V. Lazareva, Z. P. Belousova, Yu. P. Zarubin, P. P. Purygin, “Theoretical study of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)carbonate formation possibility in reaction of nucleotides and $N,N'$-acylbisazoles by quantum-chemical methods”, Vestnik Samarskogo Gosudarstvennogo Universiteta. Estestvenno-Nauchnaya Seriya, 2014, no. 3(114), 148–153
Citation in format AMSBIB
\Bibitem{LazBelZar14}
\by I.~V.~Lazareva, Z.~P.~Belousova, Yu.~P.~Zarubin, P.~P.~Purygin
\paper Theoretical study of nucleoside-$5'$-phosphorazolide-$2',3'$-cyclo(thio)\-carbonate formation possibility in reaction of nucleotides and $N,N'$-acylbisazoles by quantum-chemical methods
\jour Vestnik Samarskogo Gosudarstvennogo Universiteta. Estestvenno-Nauchnaya Seriya
\yr 2014
\issue 3(114)
\pages 148--153
\mathnet{http://mi.mathnet.ru/vsgu362}
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    		Вестник Самарского государственного университета. Естественнонаучная серия
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