3. | Jolanta Natalia Latosińska, Magdalena Latosińska, Andrzei Orzeszko, Jan Krzysztof Maurin Synthesis and Crystal Structure of Adamantylated 4,5,6,7-tetrahalogeno-1H-benzimidazoles Novel Multi-Target Ligands (Potential CK2, M2 and SARS-CoV-2 Inhibitors). X-ray/DFT/QTAIM/Hirshfeld Surfaces/Molecular Docking Study Molecules, 28 (1), pp. 147, 2023. Abstract | Links | BibTeX @article{Latosińska2023,
title = {Synthesis and Crystal Structure of Adamantylated 4,5,6,7-tetrahalogeno-1H-benzimidazoles Novel Multi-Target Ligands (Potential CK2, M2 and SARS-CoV-2 Inhibitors). X-ray/DFT/QTAIM/Hirshfeld Surfaces/Molecular Docking Study },
author = {Jolanta Natalia Latosińska and Magdalena Latosińska and Andrzei Orzeszko and Jan Krzysztof Maurin },
doi = {10.3390/molecules28010147},
year = {2023},
date = {2023-01-02},
journal = {Molecules},
volume = {28},
number = {1},
pages = {147},
abstract = {A series of new congeners, 1-[2-(1-adamantyl)ethyl]-1H-benzimidazole (AB) and 1-[2-(1-adamantyl)ethyl]-4,5,6,7-tetrahalogeno-1H-benzimidazole (Hal=Cl, Br, I; tClAB, tBrAB, tIAB), have been synthesized and studied. These novel multi-target ligands combine a benzimidazole ring known to show antitumor activity and an adamantyl moiety showing anti-influenza activity. Their crystal structures were determined by X-ray, while intermolecular interactions were studied using topological Bader’s Quantum Theory of Atoms in Molecules, Hirshfeld Surfaces, CLP and PIXEL approaches. The newly synthesized compounds crystallize within two different space groups, P-1 (AB and tIAB) and P21/c (tClAB and tBrAB). A number of intramolecular hydrogen bonds, C−H⋯Hal (Hal=Cl, Br, I), were found in all halogen-containing congeners studied, but the intermolecular C−H⋯N hydrogen bond was detected only in AB and tIAB, while C−Hal⋯π only in tClAB and tBrAB. The interplay between C−H⋯N and C−H⋯Hal hydrogen bonds and a shift from the strong (C−H⋯Cl) to the very weak (C−H⋯I) attractive interactions upon Hal exchange, supplemented with Hal⋯Hal overlapping, determines the differences in the symmetry of crystalline packing and is crucial from the biological point of view. The hypothesis about the potential dual inhibitor role of the newly synthesized congeners was verified using molecular docking and the congeners were found to be pharmaceutically attractive as Human Casein Kinase 2, CK2, inhibitors, Membrane Matrix 2 Protein, M2, blockers and Severe Acute Respiratory Syndrome Coronavirus 2, SARS-CoV-2, inhibitors. The addition of adamantyl moiety seems to broaden and modify the therapeutic indices of the 4,5,6,7-tetrahalogeno-1H-benzimidazoles.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
A series of new congeners, 1-[2-(1-adamantyl)ethyl]-1H-benzimidazole (AB) and 1-[2-(1-adamantyl)ethyl]-4,5,6,7-tetrahalogeno-1H-benzimidazole (Hal=Cl, Br, I; tClAB, tBrAB, tIAB), have been synthesized and studied. These novel multi-target ligands combine a benzimidazole ring known to show antitumor activity and an adamantyl moiety showing anti-influenza activity. Their crystal structures were determined by X-ray, while intermolecular interactions were studied using topological Bader’s Quantum Theory of Atoms in Molecules, Hirshfeld Surfaces, CLP and PIXEL approaches. The newly synthesized compounds crystallize within two different space groups, P-1 (AB and tIAB) and P21/c (tClAB and tBrAB). A number of intramolecular hydrogen bonds, C−H⋯Hal (Hal=Cl, Br, I), were found in all halogen-containing congeners studied, but the intermolecular C−H⋯N hydrogen bond was detected only in AB and tIAB, while C−Hal⋯π only in tClAB and tBrAB. The interplay between C−H⋯N and C−H⋯Hal hydrogen bonds and a shift from the strong (C−H⋯Cl) to the very weak (C−H⋯I) attractive interactions upon Hal exchange, supplemented with Hal⋯Hal overlapping, determines the differences in the symmetry of crystalline packing and is crucial from the biological point of view. The hypothesis about the potential dual inhibitor role of the newly synthesized congeners was verified using molecular docking and the congeners were found to be pharmaceutically attractive as Human Casein Kinase 2, CK2, inhibitors, Membrane Matrix 2 Protein, M2, blockers and Severe Acute Respiratory Syndrome Coronavirus 2, SARS-CoV-2, inhibitors. The addition of adamantyl moiety seems to broaden and modify the therapeutic indices of the 4,5,6,7-tetrahalogeno-1H-benzimidazoles. |
2. | E.S. Gevorkyan, V.P. Nerubatskyi, R.V. Vovk, V.O. Chyshkala, S.V. Lytovchenko, O.M. Morozova, Jolanta Natalia Latosińska Features of synthesis of Y2Ti2O7 ceramics for the purpose of obtaining dispersion-strengthened steels Acta Physica Polonica A, 142 (4), pp. 529, 2022. Abstract | Links | BibTeX @article{latosinska2022,
title = {Features of synthesis of Y2Ti2O7 ceramics for the purpose of obtaining dispersion-strengthened steels},
author = {E.S. Gevorkyan and V.P. Nerubatskyi and R.V. Vovk and V.O. Chyshkala and S.V. Lytovchenko and O.M. Morozova and Jolanta Natalia Latosińska},
url = {http://przyrbwn.icm.edu.pl/APP/SPIS/a142-4.html},
doi = {10.12693/APhysPolA.142.529},
year = {2022},
date = {2022-10-17},
journal = {Acta Physica Polonica A},
volume = {142},
number = {4},
pages = {529},
abstract = {The method of electron beam heating of a mixture of yttrium and zirconium oxides for the synthesis of complex oxides has been implemented. It is established that the applied technology of melting the mixture of oxides leads to the formation of fluorite phases. It is determined that homogenization of the initial mixture of oxides should be carried out in a high-energy mill, which will reduce the temperature and duration of the synthesis of complex oxide compounds, including the desired structure of pyrochlorine. It is proposed to improve the technique of intensive thermal influence on the process of pyrochlorine synthesis by using an equiatomic alloy Y-Ti (65 wt. Y-35 wt Ti), which has been smelted using the arc melting method in an argon atmosphere. It was found that hydrogen saturation reduces the efficiency of pyrochlorine synthesis and increases the grain size, which may be associated with grain growth at the stage of hydrogen saturation.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The method of electron beam heating of a mixture of yttrium and zirconium oxides for the synthesis of complex oxides has been implemented. It is established that the applied technology of melting the mixture of oxides leads to the formation of fluorite phases. It is determined that homogenization of the initial mixture of oxides should be carried out in a high-energy mill, which will reduce the temperature and duration of the synthesis of complex oxide compounds, including the desired structure of pyrochlorine. It is proposed to improve the technique of intensive thermal influence on the process of pyrochlorine synthesis by using an equiatomic alloy Y-Ti (65 wt. Y-35 wt Ti), which has been smelted using the arc melting method in an argon atmosphere. It was found that hydrogen saturation reduces the efficiency of pyrochlorine synthesis and increases the grain size, which may be associated with grain growth at the stage of hydrogen saturation. |
1. | V.V. Bogdanov, R.V. Vovk, S.V. Dukarov, M.V. Klislitsa, S.I. Petrushenko, V.N. Sukhov, G.Ya. Khadzhai, Y.L. Goulatis, S.R. Vovk, E.S. Gevorkyan, A. Feher, P. Kollar, J. Fuzer, Jolanta Natalia Latosińska Electron Microscopic Study of Interdiffusion in Equiatomic Fe-Ni Composite Acta Physica Polonica A, 139 (1), pp. 62, 2021. Abstract | Links | BibTeX @article{Bogdanov2021,
title = {Electron Microscopic Study of Interdiffusion in Equiatomic Fe-Ni Composite},
author = {V.V. Bogdanov and R.V. Vovk and S.V. Dukarov and M.V. Klislitsa and S.I. Petrushenko and V.N. Sukhov and G.Ya. Khadzhai and Y.L. Goulatis and S.R. Vovk and E.S. Gevorkyan and A. Feher and P. Kollar and J. Fuzer and Jolanta Natalia Latosińska},
doi = {10.12693/APhysPolA.139.62},
year = {2021},
date = {2021-01-15},
journal = {Acta Physica Polonica A},
volume = {139},
number = {1},
pages = {62},
abstract = {The paper presents a study of interdiffusion processes in a binary Fe-Ni system (obtained by electroconsolidation of nickel and iron powders) by X-ray energy dispersive spectroscopy. Well-separated regions of almost pure iron and nickel have been discovered. The content of nickel, estimated from the concentration dependence of the interdiffusion coefficient, which determines the kinetics of the homogenization process of the electroconsolidated Fe-Ni composite sample, was ~70 at.%. The value of the interdiffusion coefficient of the electroconsolidated Fe-Ni composite is significantly higher than that of the alloy of similar composition which probably results from the effect of spark plasma sintering technology (pressure and current along the same direction during consolidation) but also from a significant contribution of diffusion with mass transfer along the particle boundaries in the composite.},
keywords = {},
pubstate = {published},
tppubtype = {article}
}
The paper presents a study of interdiffusion processes in a binary Fe-Ni system (obtained by electroconsolidation of nickel and iron powders) by X-ray energy dispersive spectroscopy. Well-separated regions of almost pure iron and nickel have been discovered. The content of nickel, estimated from the concentration dependence of the interdiffusion coefficient, which determines the kinetics of the homogenization process of the electroconsolidated Fe-Ni composite sample, was ~70 at.%. The value of the interdiffusion coefficient of the electroconsolidated Fe-Ni composite is significantly higher than that of the alloy of similar composition which probably results from the effect of spark plasma sintering technology (pressure and current along the same direction during consolidation) but also from a significant contribution of diffusion with mass transfer along the particle boundaries in the composite. |