Search Results - "Fizer, Oksana"

Theoretical study on charge distribution in cetylpyridinium cationic surfactant by Fizer, Maksym, Fizer, Oksana

“…Here, we report the electrostatic potential maxima and partial atomic charges evaluated on cetylpyridinium cation. The Hartree-Fock method and six DFT…”
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Quantum chemical insight on the uranyl benzoates association with cetylpyridinium by Fizer, Oksana, Fizer, Maksym, Sidey, Vasyl

“…The possibility of analytical determination of the uranyl cation UO 2 2+ (taken in the form of the complex uranyl benzoate anion) by using the potentiometric…”
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New [1,3]thiazolo[3,2-b][1,2,4]triazol-7-ium cationic surfactant as a stabilizer of silver and gold nanoparticles by Fizer, Maksym M., Fizer, Oksana I., Slivka, Mikhailo V., Mariychuk, Ruslan T.

“…A new [1,3]thiazolo[3,2- b ][1,2,4]triazol-7-ium-based cationic surfactant was examined as a stabilizer in the “wet chemistry” synthesis of silver and gold…”
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Gold nanoparticles green synthesis with clove oil: spectroscopic and theoretical study by Fizer, Maksym M., Mariychuk, Ruslan T., Fizer, Oksana I.

“…Certain limitations of obtaining metal nanoparticles with the use of synthetic chemicals have sparked a great interest in scientists to develop green synthesis…”
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Identifying and explaining the regioselectivity of alkylation of 1,2,4-triazole-3-thiones using NMR, GIAO and DFT methods by Fizer, Maksym, Slivka, Mikhailo, Korol, Nataliya, Fizer, Oksana

“…•alkylation of four disubstituted 1,2,4-triazole-3-thiones with eight alkyl halides.•1H and 13C NMR experimental spectra were compared with GIAO-computed…”
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Structural peculiarities of new benzopyrylium dyes: X-ray, FT-IR, and DFT complex study by Fizer, Maksym, Fizer, Oksana, Barbalat, Dmytro, Shishkina, Svitlana, Snigur, Denys

“…•Structural peculiarities of new halogen(F/Cl/Br/I)-containing benzopyrylium dyes.•The phenyl ring rotation barrier correlates with the halogen size.•Hirshfeld…”
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Experimental and theoretical study on cetylpyridinium dipicrylamide – A promising ion-exchanger for cetylpyridinium selective electrodes by Fizer, Maksym, Fizer, Oksana, Sidey, Vasyl, Mariychuk, Ruslan, Studenyak, Yaroslav

“…The cetylpyridinium (CP) dipicrylamide (DPA) ion pair has been synthesized and characterized by the FT-IR and NMR (1H and 13C) spectroscopy, theoretically…”
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A DFT study of fulvic acid binding with bivalent metals: Cd, Cu, Mg, Ni, Pb, Zn by Fizer, Maksym, Sidey, Vasyl, Milyovich, Stepan, Fizer, Oksana

“…3,7,8-Trihydroxy-3-methyl-10-oxo-4,10-dihydro-1H,3H-pyrano [4,3-b]chromene-9-carboxylic acid is a structurally well-characterized fulvic acid (FA) capable to…”
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On the protonation of a polysubstituted 1,2,4-triazole: A structural study of a hexabromotellurate salt by Fizer, Maksym, Slivka, Mikhailo, Sidey, Vasyl, Baumer, Vyacheslav, Fizer, Oksana

“…•A new polysubstituted 1,2,4-triazole and its hexabromotellurate salt were synthesized.•The synthesized salt was characterized with DFT, XRD, and NMR…”
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On the structure of cetylpyridinium perchlorate: A combined XRD, NMR, IR and DFT study by Fizer, Oksana, Fizer, Maksym, Filep, Michael, Sidey, Vasyl, Mariychuk, Ruslan

“…[Display omitted] •In water solution, cetylpyridinium and perchlorate ions form low-soluble ionic pair.•The crystallinity degree of the ionic pair samples…”
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Predicting the end point potential break values: A case of potentiometric titration of lipophilic anions with cetylpyridinium chloride by Fizer, Oksana, Fizer, Maksym, Sidey, Vasyl, Studenyak, Yaroslav

“…•Potentiometric titration of lipophilic anions with cetylpyridinium chloride.•Studied anions were placed in the Hofmeister series.•Lipophilicity descriptors…”
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Alkylation of 2-oxo(thioxo)-thieno[2,3-d]pyrimidine-4-ones: Experimental and theoretical study by Fizer, Maksym, Slivka, Mikhailo, Baumer, Vjacheslav, Slivka, Marina, Fizer, Oksana

“…An alkylation of 2-oxo(thioxo)-thieno[2,3-d]pyrimidine-4-ones is a versatile and feasible route to biologically active pyrimidines. Experimental and…”
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New 2-amino-[1,3]thiazolo[3,2-b][1,2,4]triazol-7-ium hexabromotellurates: Experimental and computational structural studies by Fizer, Oksana, Dujnič, Viera, Sidey, Vasyl, Baumer, Vjacheslav, Slivka, Mikhailo, Fizer, Maksym

“…•Hexabromotelluric acid causes cyclization of methallyl thioether of a 1,2,4-triazole.•[1,3]Thiazolo[3,2-b][1,2,4]triazol-7-ium hexabromotellurates were…”
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Benchmark of different charges for prediction of the partitioning coefficient through the hydrophilic/lipophilic index by Fizer, Oksana, Fizer, Maksym, Sidey, Vasyl, Studenyak, Yaroslav, Mariychuk, Ruslan

“…A few different theoretical methods for assigning the partial atomic charges were benchmarked for calculation of the hydrophilic/lipophilic index (HLI). The…”
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Cetylpyridinium picrate: Spectroscopy, conductivity and DFT investigation of the structure of a new ionic liquid by Fizer, Maksym, Filep, Michael, Fizer, Oksana, Fričová, Oľga, Mariychuk, Ruslan

“…•Cetylpyridinium picrate – a new ionic liquid was synthesized and characterized.•XRD, FT-IR, NMR and DFT studies were used to determine the ionic pair…”
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New 5-alkyl-1,2,4-triazole-3-thione surfactants with antifungal and silver nanoparticles stabilization activity by Fizer, Maksym, Fizer, Oksana, Hryhorka, Hanna, Slivka, Mikhailo, Šoral, Michal, Dujnič, Viera, Kopáčová, Mária, Pantyo, Valerii, Mariychuk, Ruslan

“…[Display omitted] •New surfactant-like 5-alkyl-1,2,4-triazole-3-thiones were synthesized.•CMC was estimated using the conductivity method and the 1H NMR…”
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