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Doxorubicin compositions with biocompatible terpolymer of N-vinylpyrrolidone, methacrylic acid and triethylene glycol dimethacrylate
Mendeleev Communications. 2023. Vol. 33. P. 255–258.
Курмаз С. В., Иванова И., Емельянова Н. С., Конев Д. В., Курмаз В. А., Филатова Н. В., Балакина А. А., Terentiev A.
Compositions of doxorubicin with a terpolymer of N-vinylpyrrolidone, methacrylic acid and triethylene glycol dimethacrylate have been prepared and investigated by UV-VIS and NMR spectroscopy, cyclic voltammetry and DFT quantum chemical modeling. Oxygen containing groups of the terpolymer and hydrogen atoms of the drug OH and NH3+ groups form hydrogen bonds. The compositions have lower cytotoxicity in vitro compared with that of free doxorubicin.
Novikov A., Polyhedron 2026 Vol. 301 Article 118454
New dichloro-chlorobismuthate supramolecular hybrid, (Me3NH)2{[BiCl5](Cl2)}, has been prepared and characterized by X-ray diffractometry as well as Raman spectroscopy. The self-assembly of 2D dihalogen-halometalate architecture succeeds via Cl⋯Cl halogen bonds (3.066 and 3.543 Å). These features were assessed with DFT calculations and Interaction region indicator analysis. ...
Added: October 23, 2026
Maltseva D., Tonevitsky A., Frontiers in Molecular Biosciences 2026 Vol. 13 P. 1–28
MicroRNA (miRNA) genes are frequently located in close proximity within the genome, forming so-called clusters. These clusters are transcribed as polycistronic units, suggesting coordinated transcriptional regulation of the miRNAs they contain. However, individual mature miRNAs from the same cluster often accumulate at varying levels and exhibit distinct tissue-specific expression patterns, indicating the presence of regulatory ...
Added: October 23, 2026
Vasilyev A., Svirin EP, Dubynin I. et al., Cortex 2025 Vol. 189 P. 76–96
Added: October 22, 2026
Karina V. Klycheva, Mariia O. Silkina, Dmitry M. Hushpulian et al., Biochemistry. Biokhimiia 2026 Vol. 91 P. 1842–1858
Involvement of the transcription factor Bach1 in various scenarios of cellular regulation is reviewed herein. To date, the most extensively studied role of Bach1 is that of a repressor of the antioxidant genetic program initiated by the Nrf2 factor. This program counteracts oxidative stress, which triggers both ferroptosis and the intrinsic apoptotic pathway. Bach1 functions unrelated ...
Added: October 22, 2026
Svirin E., Бердышев Д. А., Шишкин С. Л., Вестник Российского государственного медицинского университета 2026 № 3 С. 42–50
Quasi-movements (QMs), which are movement attempts minimized to the point of movement extinction, evoke EEG patterns similar to those of real movement. QMs can model attempted movement in healthy subjects and are therefore of interest as an alternative to motor imagery (MI) in rehabilitation brain–computer interfaces (BCIs), in which the attempted movement of the paralyzed ...
Added: October 22, 2026
Sitdikova K., Tsoy A., Chaprov K. et al., Journal of Neuropathology and Experimental Neurology 2026 Article nlag078
Understanding the earliest pathological changes in Alzheimer disease (AD) is critical for improving early intervention strategies. However, the relationship between amyloid plaque characteristics and early behavioral and molecular alterations remains unclear. We used 6-month-old female APPswe/PS1dE9 mice, a model of early amyloid-dominant pathology, to assess cognition and emotionality across a battery of behavioral tests. Amyloid ...
Added: October 22, 2026
Effects of Wheat Malt Extract on Molecular and Behavioral Markers in Aged APP/PS1 and Wild-Type Mice
Kassenova A., Svirin E., Sitdikova K. et al., International Journal of Molecular Sciences 2026 Vol. 27 No. 11 Article 4994
Added: October 22, 2026
Cespuglio R., Schmitt-Böhrer A., Deykin A. et al., Metabolites 2026 Vol. 16 No. 2 Article 117
Added: October 22, 2026
Budkov Y., Kalikin N., Journal of Chemical Physics 2026 Vol. 165 No. 16 Article 164108
We derive the local pressure tensor generated by the original Rosenfeld fundamental measure theory (FMT) for hard-sphere fluids from an arbitrary infinitesimal deformation. The variation of a finite-distance FMT kernel is written via the line integrals of the local deformation gradient along the straight segment connecting its end points. The resulting symmetric pressure tensor consists ...
Added: October 22, 2026
Nazarov D., Faraonov M., Gritsan N. P. et al., Dalton Transactions 2026 Vol. 55 P. 14394–14408
Two axial anionic Dy complexes with the open form of a photochromic spirooxazine and TBA + or Cp* 2 Co + cations were obtained. Both complexes are a single-ion magnets with a high U eff of 680–750 cm −1 and T b = 6 K. One of them is photoresponsive. ...
Added: October 21, 2026
Novikov A., Journal of Photochemistry and Photobiology A: Chemistry 2026 Vol. 485 No. 1 Article 117796
A series of new coumarin-azine fluorophores based on 1,2,4-triazinyl and pyridinyl substituted derivatives of 7-aminocoumarin was synthesized via a nucleophilic substitution of hydrogen (SNH) reaction followed by an inverse electron-demand Diels–Alder transformation. The primary photophysical properties of 3-triazinyl coumarins and their pyridine analogs was investigated in toluene and acetonitrile solutions. Thus, the emission of the fluorophores in ...
Added: October 20, 2026
Logvenkov S. A., Известия РАН. Механика жидкости и газа 2026 № 3 С. 59–75
The problem of the evolution of cell volume fraction in a spherical aggregate composed of cells,
extracellular matrix, and fluid is considered. The aggregate is surrounded by extracellular matrix. The
problem formulation employs a multiphase model of a biological continuum, previously developed by the
author, consisting of two actively interacting solid phases and a fluid. The propagation of ...
Added: October 20, 2026
Liaukovich K., Zhurnal Vysshei Nervnoi Deyatelnosti Imeni I.P. Pavlova 2026 Vol. 76 No. 5 P. 587–598
Added: October 19, 2026
Nersisyan A., Frontiers in Molecular Biosciences 2026 Vol. 13 Article 1995001
Antiviral activity is commonly summarized using endpoint measures such as EC50 or EC90, yet these quantities emerge from a dynamic biological system and depend on viral replication kinetics, host-cell properties, experimental design, and the assay used to quantify infection. Infectious-virus titers, viral RNA, infected-cell fractions, viability measurements, and immune readouts capture different components of the ...
Added: October 15, 2026
Тукачев Н. В., Bataev V., Abramenkov A. et al., Computational and Theoretical Chemistry 2016 No. 1080 P. 23–32
Electronic state calculations, such as equilibrium geometry parameters, harmonic vibrational frequencies and potential barriers to conformational transitions (as well as conformer energy differences in excited states), using ab initio methods, such as MP2, CCSD(T), CASSCF, CASPT2 and MRCI, were carried out on the formamide molecule in the ground (S0) and the lowest excited singlet (S1) ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. А., Godunov I. А., Journal of Quantitative Spectroscopy and Radiative Transfer 2016 Vol. 177 P. 291–300
For conformers of the N-methylformamide (HCONHCH3) molecule, calculations of equilibrium geometry parameters, harmonic vibration frequencies, energy differences and potential barriers to conformational transitions were performed in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states. In the S0 state, the molecule exists in trans and cis stable conformations (having Cs symmetry). ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. А., Godunov I. А., Journal of Quantitative Spectroscopy and Radiative Transfer 2017 Vol. 192 P. 30–41
For acetamide molecule (CH3CONH2) in the ground (S0) and lowest excited singlet (S1) and triplet (T1) electronic states calculations of equilibrium geometry parameters, harmonic vibrational frequencies and barriers to conformational transitions (also conformer energy differences in excited states) using following ab initio methods: MP2, CCSD(T), CASSCF, CASPT2 and MRCI were performed. One-, two- and three-dimensional ...
Added: October 14, 2026
Тукачев Н. В., Bataev V. A., Godunov I. A., Computational and Theoretical Chemistry 2017 Vol. 1113 P. 82–93
Equilibrium geometry parameters, harmonic vibrational frequencies and barriers to conformational transitions and conformer energy differences for N-methylacetamide (CH3CONHCH3) molecule in S0, S1 and T1 electronic states were calculated in MP2 (S0) and CASPT2 (S1, T1) levels of theory. It is known that there are two planar (or effectively planar) conformers of N-methylacetamide in the ground ...
Added: October 14, 2026
Тукачев Н. В., Maslennikov D., Sosorev A. et al., The Journal of Physical Chemistry Letters 2019 Vol. 10 No. 12 P. 3232–3239
Conformational space of polyphenylenevinylene oligomers is systematically investigated computationally at energies relevant for room temperature dynamics in a solvent and in a solid state. Our calculations show that optimal oligomer structures are essentially planar. However, lack of a deep minimum at the planar geometry allows for large molecular deformations even at very low temperatures. At ...
Added: October 14, 2026
Тукачев Н. В., Akkuratov A., Kuznetsov I. et al., Synthetic Metals 2020 Vol. 259 Article 116231
Four new conjugated polymers based on benzodithiophene, thiophene and 2,1,3-benzothiadiazole or 5,6-difluoro-2,1,3-benzothiadiazole were synthesized and investigated as absorber materials for organic photovoltaics. The effect of (bi)thiophene π-spacers and fluorine substitution on the physicochemical and optoelectronic properties of the polymers was revealed and correlations were drawn with their electrical characteristics in organic solar cells. In particular, ...
Added: October 14, 2026
Тукачев Н. В., Nuraliev M., Parashchuk O. et al., Journal of Chemical Physics 2020 Vol. 153 No. 17 Article 174303
Electron–phonon interaction strongly affects and often limits charge transport in organic semiconductors (OSs). However, approaches to its experimental probing are still in their infancy. In this study, we probe the local electron–phonon interaction (quantified by the charge-transfer reorganization energy) in small-molecule OSs by means of Raman spectroscopy. Applying density functional theory calculations to four series ...
Added: October 14, 2026
Kopoleva E., Sergey A. Tsymbal, Kuchur O. et al., Drug Delivery and Translational Research 2026 P. 1–16
Multidrug resistance (MDR) remains one of the principal challenges in cancer chemotherapy, necessitating new strategies to restore drug efficacy. In this study we developed and characterize a redox-responsive nanoplatform based on trithiocyanuric acid and polyethylene glycol (TTCA-PEG NPs) as a potential tool to overcome MDR and provide a biocompatible delivery system for conventional antitumor drugs. ...
Added: April 20, 2026
Toukach P., Arakelyan L. A., Egorova K. S. et al., Environmental Science and Technology Letters 2025 Vol. 12 No. 12 P. 1631–1635
Ionic liquids (ILs) are widely used in diverse scientific and industrial fields, yet many of these substances exhibit significant cytotoxicity, challenging their classification as “green solvents”. To facilitate access to established experimental cytotoxicity data on ILs, we present ILToxDB - a curated, open-access database containing 3844 cytotoxicity assay entries for 1224 ILs tested across 154 ...
Added: February 17, 2026
Kovanova M. A., Derbeneva P. D., Postnov A. S. et al., Russian Journal of Electrochemistry 2024 Vol. 60 No. 6 P. 429–434
The electrochemical and electrocatalytic behavior of gold electrodes modified with tetra-4-sulfophthalocyaninates of nickel(II) (NiPc) and copper(II) (CuPc) is studied in aqueous alkaline solutions using cyclic voltammetry. The electrocatalytic activity of phthalocyaninates of these metals in the oxidation of hydroxide ions to form molecular oxygen is assessed and compared with the literature data. ...
Added: September 16, 2025