Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Liudmyla K. Sviatenko"'
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 25, Iss 1, Pp 1-8 (2017)
Adsorption of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) on (001) surface of α-quartzwas studiedat the M05/tzvp level using cluster approximation. Hydrogen bonds between nitramines and si
Externí odkaz:
https://doaj.org/article/b8f583903a2a4845a85db741a5daa3e3
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 24, Iss 2, Pp 56-61 (2016)
At the present time one of the main remediation technologies for such environmental pollutant as 2,4-dinitrotoluene (DNT) is advanced oxidation processes (AOPs). Since hydroxyl radical is the most common active species for AOPs, in particular for Fen
Externí odkaz:
https://doaj.org/article/81ac067747fa44d0aefaa5fda2990589
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 24, Iss 1, Pp 1-6 (2016)
The mechanism for reduction of nitroaromatic compounds by flavin mononucleotide (FMN) was examined at MPWB1K/tzvp level. The solvent effects were calculated using a PCM(Pauling) and SMD(Pauling) solvation models for ions and neutral molecules, respec
Externí odkaz:
https://doaj.org/article/dfd78e1d4b054c9299e77e12d0f57838
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 23, Iss 2, Pp 1-9 (2016)
The cluster approximation was applied at M05/tzvp level to model adsorption of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) on (001) surface of α-quartz. Structures of the obtained CL-20–silica complexes confirm close to para
Externí odkaz:
https://doaj.org/article/24852ff9e227483d9a218375c17d2632
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 23, Iss 1, Pp 1-7 (2015)
Alkaline hydrolysis is an effective method to destroy such the pollutant as 2,4,6-trinitrotoluene (TNT) in solution and in well-mixed soil. The mechanism of hydrolytic transformation of polynegative complex, which is one of the products of early stag
Externí odkaz:
https://doaj.org/article/b8cfb3572a3a4283a3b4f1a922cbf793
Autor:
Liudmyla K. Sviatenko
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 22, Iss 1, Pp 59-62 (2014)
The ability to predict the redox properties is an important tool for study electron transfer processes occurring in the gas-phase (atmospheric chemistry) or in the condensed phase (electrochemistry, biochemistry). MPWB1K/6-31+G(d) and MPWB1K/tzvp the
Externí odkaz:
https://doaj.org/article/2b8d61a0f5e74e96a7d119d78f363614
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 22, Iss 2, Pp 21-26 (2014)
The phosphatidylinositol 3-kinase delta (PI3Kd) controls a range of cellular processes. Its overexpression is found in many human tumors. PI3Kd inhibitors are potential anticancer agents and anti-inflammatory agents for treatment of rheumatoid arthri
Externí odkaz:
https://doaj.org/article/25606873730541839318d1323060bcf8
Autor:
Liudmyla K. Sviatenko
Publikováno v:
Vìsnik Dnìpropetrovsʹkogo Unìversitetu: Serìâ Hìmìâ, Vol 21, Iss 20, Pp 16-22 (2014)
Сurcumin derivatives were virtually screened for inhibitory activity towards SERCA by computational docking. A detailed characterization of the inhibitor binding site at the molecular level and determination of the amino acids involved in interactio
Externí odkaz:
https://doaj.org/article/374f6460688a41b1a5cd9609ddc3cfc1
Publikováno v:
The Journal of Physical Chemistry A. 127:2688-2696
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6967903284c1e052a70a6a5e300b5f5e
https://doi.org/10.1021/acs.jpca.2c08225
https://doi.org/10.1021/acs.jpca.2c08225
Autor:
Olena O. Pylypenko, Sergiy I. Okovytyy, Liudmyla K. Sviatenko, Eugene O. Voronkov, Kostyantin P. Shabelnyk, Sergiy I. Kovalenko
Publikováno v:
Structural Chemistry. 34:181-192
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3a9fbde5810ba955e2d60a5ccda640b0
https://doi.org/10.1007/s11224-022-02057-0
https://doi.org/10.1007/s11224-022-02057-0