Search Results - "Kucharska, E"

Vibrational studies of non-centrosymmetric [N2H5][M(HCOO)4] (M=Dy, Er and Y) supported by DFT calculations and analysis of IR reflectance spectra using three different methods by Ptak, M., Kucharska, E.

“…•IR reflectance spectra were analyzed using three different methods.•Symmetries of the observed IR modes were established.•DFT calculations have been performed…”
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THz, Raman, IR and DFT studies of noncentrosymmetric metal dicyanamide frameworks comprising benzyltrimethylammonium cations by Mączka, M., Ptak, M., Trzebiatowska, M., Kucharska, E., Hanuza, J., Pałka, N., Czerwińska, E.

“…[Display omitted] •Hydrated and anhydrous benzyltrimethylammonium metal-dicyanamides have been studied.•Assignment of vibrational modes is proposed based on…”
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Vibrational properties and DFT calculations of formamidine-templated Co and Fe formates by Kucharska, E., Hanuza, J., Ciupa, A., Mączka, M., Macalik, L.

“…Experimental Raman and IR spectra of [NH2-CH-NH2][M(HCOO)3] (M=Co, Fe), containing formamidinium cations [NH2-CH-NH2]+ (FMD+) were recorded at room…”
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Molecular structure and vibrational spectra of quercetin and quercetin-5’-sulfonic acid by Hanuza, J., Godlewska, P., Kucharska, E., Ptak, M., Kopacz, M., Mączka, M., Hermanowicz, K., Macalik, L.

“…•The IR and Raman spectra of studied compounds were recorded.•The IR and Raman wavenumbers were calculated from the optimized geometry of molecule.•IR, Raman…”
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Conformation of azo-bridge in 3,3′-dinitro-2,2′-azobipyridine and its 4,4′(or 5,5′ or 6,6′)-dimethyl-derivatives: Vibrational studies and DFT quantum chemical calculations by Kucharska, E., Hanuza, J., Lorenc, J.

“…[Display omitted] •Four azobipyridines were synthesized.•Based on the DFT modeling the structures of these compounds were proposed.•The vibrational…”
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Spectroscopic investigation and DFT modelling studies of Eu3+ complex with 1-(2,6-dihydroxyphenyl)ethanone by Hanuza, J., Ptak, M., Lisiecki, R., Kwocz, A., Kucharska, E., Ryba-Romanowski, W., Mączka, M., Hermanowicz, K., Macalik, L.

“…Eu3+ complex with 1-(2,6-dihydroxyphenyl)ethanone in the solid state has been synthesized and characterized by elemental analysis, UV–visible, FT-IR and…”
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The hydrazo-bond in 4,4′-dimethyl-3,3′-dinitro-2,2′-hydrazobipyridine – Crystal structure, conformation and vibrational characteristics by Kucharska, E., Bryndal, I., Hanuza, J., Lis, T.

“…[Display omitted] •4,4′-dimethyl-3,3′-dinitro-2,2′-hydrazobipyridine (MNHP) was synthesized.•The crystal structure of MNHP was studied.•The IR and Raman…”
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Extensive pneumatisation of the sphenoid bone: anatomical investigation of the recesses of the sphenoid sinuses and their clinical importance by Jaworek-Troć, J., Walocha, J. A., Loukas, M., Tubbs, R. S., Iwanaga, J., Zawiliński, J., Brzegowy, K., Zarzecki, J. J., Curlej-Wądrzyk, A., Kucharska, E., Burdan, F., Janda, P., Zarzecki, M. P.

“…BACKGROUND: There is a great variance between the extents of pneumatisation of the sphenoid sinuses that can reach beyond the body of the sphenoid bone. The…”
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Protrusion of the carotid canal into the sphenoid sinuses: evaluation before endonasal endoscopic sinus surgery by Jaworek-Troć, J., Walocha, J. A., Chrzan, R., Żmuda, P., Zarzecki, J. J., Pękala, A., Depukat, P., Kucharska, E., Lipski, M., Curlej-Wądrzyk, A., Zarzecki, M. P.

“…BACKGROUND: Many reports have previously indicated the vast number of anatomical variations of the sphenoid sinuses, e.g. presence of the recesses…”
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Molecular and crystal structures, vibrational studies and quantum chemical calculations of 3 and 5-nitroderivatives of 2-amino-4-methylpyridine by Bryndal, I., Kucharska, E., Sąsiadek, W., Wandas, M., Lis, T., Lorenc, J., Hanuza, J.

“…[Display omitted] ► The crystal structures of 3- and 5-nitroderivatives of 2-amino-4-methylpyridine were studied. ► These structures exhibit layered…”
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A large scale prospective clinical and psychometric validation of the EORTC colorectal (QLQ‐CR29) module in Polish patients with colorectal cancer by Sanna, B., Bereza, K., Paradowska, D., Kucharska, E., Tomaszewska, I.M., Dudkiewicz, Z., Golec, J., Bottomley, A., Tomaszewski, K.A.

“…The purpose of our study was to assess if the Polish translation of the European Organisation for Research and Treatment of Cancer (EORTC) Colorectal Cancer…”
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Intra- and inter-molecular hydrogen bonds, conformation and vibrational characteristics of hydrazo-group in 5-nitro-2-(2-phenylhydrazinyl)pyridine and its 3-, 4- or 6-methyl isomers by Michalski, J., Kucharska, E., Sąsiadek, W., Lorenc, J., Hanuza, J.

“…•Basing on the DFT QCC the structures of these compounds have been proposed.•The IR and RS wavenumbers were calculated for monomers and dimers.•IR, RS and DFT…”
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Vibrational spectra, crystal structure, DFT quantum chemical calculations and conformation of the hydrazo – bond in 6-methyl-3-nitro-2-(2-phenylhydrazinyl)pyridine by Kucharska, E., Michalski, J., Sąsiadek, W., Talik, Z., Bryndal, I., Hanuza, J.

“…[Display omitted] ► The crystal structure of 6-methyl-3-nitro-2-(2-phenylhydrazinyl)pyridine was studied. ► The IR and Raman wavenumbers have been calculated…”
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Structure, vibrational spectra and DFT characterization of the intra- and inter-molecular interactions in 2-hydroxy-5-methylpyridine-3-carboxylic acid – Normal modes of the eight-membered HB ring by Godlewska, P., Jańczak, J., Kucharska, E., Hanuza, J., Lorenc, J., Michalski, J., Dymińska, L., Węgliński, Z.

“…[Display omitted] •2-Hydroxy-5-methylpyridine-3-carboxylic acid (HMPC) has been synthesized.•The crystal structure of HMPC was studied.•Cyclic eight-atomic…”
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Comprehensive physicochemical studies of a new hybrid material: 2-Amino-4-methyl-3-nitropyridinium hydrogen oxalate by Bryndal, I., Kucharska, E., Wandas, M., Lorenc, J., Hermanowicz, K., Mączka, M., Lis, T., Marchewka, M., Hanuza, J.

“…[Display omitted] •A new organic–organic salt and its deuterium analogue were characterized.•The DSC measurements exhibit that AMNPO undergoes a reversible…”
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The role of hydrogen bonds in the crystals of 2-amino-4-methyl-5-nitropyridinium trifluoroacetate monohydrate and 4-hydroxybenzenesulfonate – X-ray and spectroscopic studies by Bryndal, I., Marchewka, M., Wandas, M., Sąsiadek, W., Lorenc, J., Lis, T., Dymińska, L., Kucharska, E., Hanuza, J.

“…•Two new organic–organic salts, AMNP-TFA and AMNP-HBS, were obtained and characterized.•NH⋯O bonds are formed between the acidic unit and pyridinium cation in…”
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Crystal and molecular structure of 2‐amino‐5‐chloropyridinium hydrogen selenate—its IR and Raman spectra, DFT calculations and physicochemical properties by Lorenc, J., Bryndal, I., Marchewka, M., Kucharska, E., Lis, T., Hanuza, J.

“…The new organic‐inorganic salt, 2‐amino‐5‐chloropyridinium hydrogen selenate, has been synthesised and characterised by means of FT‐IR, FT‐Raman and single…”
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Experimental and simulated 1H and 13C NMR spectra (GIAO/DFT approach) and molecular and crystal structures of dimethyl-dinitro-azo- and dimethyl-dinitro-hydrazo-pyridines by Wandas, M., Kucharska, E., Michalski, J., Talik, Z., Lorenc, J., Hanuza, J.

“…► The 1H and 13C NMR spectra of the 4,4′(or 6,6′)-dimethyl-3,3′-dinitro-2,2′-azo- and hydrazo- pyridine. ► Application of GIAO/DFT procedure for calculation of…”
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Molecular structure and vibrational spectra of 3 (or 4 or 6)-methyl-5-nitro-2-pyridinethiones: FT-IR, FT-Raman and DFT quantum chemical calculations by Wandas, M., Lorenc, J., Kucharska, E., Ma̧czka, M., Hanuza, J.

“…IR and Raman spectra (RS) of polycrystalline 3‐(or 4 or 6)‐methyl‐5‐nitro‐2‐pyridinethione have been measured and analyzed by means of density functional…”
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Identifying the MAGUK Protein Carma-1 as a Central Regulator of Humoral Immune Responses and Atopy by Genome-Wide Mouse Mutagenesis by Jun, Jesse E., Wilson, Lauren E., Vinuesa, Carola G., Lesage, Sylvie, Blery, Mathieu, Miosge, Lisa A., Cook, Matthew C., Kucharska, Edyta M., Hara, Hiromitsu, Penninger, Josef M., Domashenz, Heather, Hong, Nancy A., Glynne, Richard J., Nelms, Keats A., Goodnow, Christopher C.

“…In a genome-wide ENU mouse mutagenesis screen a recessive mouse mutation, unmodulated, was isolated with profound defects in humoral immune responses,…”
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