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No. 44 (2025): V. N. Karazin Kharkiv National University Bulletin. Chemical series

Published: 2025-07-03

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Articles

In silico Investigations of Triazole-Tromethoxyphenyl Derivatives as Anti-Proliferative Agents against Adenocarcinomic Human Alveolar Basal Epithelial Cells (A549): DFT, QSAR and Molecular Docking Approaches.

Ameh Ojima Sunday, Shehu Abdullahi, Obiyenwa Kehinde Gabriel, Osang Moses, Semire Banjo

6-25
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Extraction of radionuclides 137Cs, 90Sr, 90Y and UO22+ from aqueous solutions using solid-Phase extractants impregnated with calix[4]arene phosphine oxides.

Alla Krasnopyorova, Galina Yukhno, Nataya Efimova, Pavel Efimov, Alexander Vorobiov, Andriy Drapailo, Vitaly Kalchenko

26-33
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Colloidal Behavior of Oxidized and Lysozyme-Coated Single-Walled Carbon Nanotubes. Analysis via Dynamic and Electrophoretic Light Scattering

Anna Laguta

34-42
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Estimation of the binding free energy of doubly charged cations to amino acid functional groups by means of modern force fields.

Volodymyr Farafonov

43-50
- PDF (Українська)
Magnetic properties of modified diamond spin chain

Vladyslav Cheranovskii, Vlada Maliarchuk

51-56
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Studying Ligand-Protein Interactions in the Era of Artificial Intelligence: Benchmarking Boltz-1 for 3D-Structure Prediction of Biomolecular Complexes

Mykyta Prud, Alexander Kyrychenko

57-71
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Fast vs Accurate: Evaluating TD-DFTB for Large-Scale Screening of Organic Dyes

Mariia Kyrpa, Anton Zakharov, Volodymyr Ivanov

72-80
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Quantum-Chemical and Experimental Study of Nitrazine Yellow on Silica Surface

Inna Khristenko, Volodymyr Ivanov

81-86
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Verification of the predictive ability of some probability distribution functions in test analysis

Anton Panteleimonov, Nataliia Nikitina

87-95
- PDF (Українська)

Editorial