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ILToxDB: A database on cytotoxicity of ionic liquids"
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 cell lines and extracted from 152 scientific publications. Each entry includes detailed experimental context, such as the assay type, cell line characteristics, and compound structure (including SMILES), allowing flexible search and analysis. ILToxDB offers a user-friendly web interface and supports advanced structure-based queries. The database is designed to support toxicological assessment, green chemistry development, and machine learning applications for safer IL design. ILToxDB is freely available at https://iltox.ananikovlab.ai/.
Makarov D. M., Kalikin N., Fashchevsky K. A. et al., Electrochimica Acta 2026 Vol. 579 Article 150159
Machine learning (ML) has become a powerful tool for accelerating the development of carbon-based supercapacitors;
however, most published models assume that a single predictive framework can describe both conventional
porous carbons and hybrid carbon electrodes. Here, we test this assumption using a comprehensive
benchmark dataset and an extended literature-curated dataset enriched with synthesis- and electrolyte-related
descriptors. Three ML algorithms ...
Added: October 13, 2026
Shi R., Yu Y., Chibisov A., International Journal of Hydrogen Energy 2025 Vol. 107 P. 52–62
Cyanide containing wastewater can cause livestock death and reduce agricultural production and electrochemical reduction of cyanide (CNRR) is a promising way to eliminate its harm and turn waste into valuable products. However, the reaction mechanism and function of electrocatalysts for CNRR have not been fully understood yet. Herein we identify a two-dimensional (2D) conductive copper-organic ...
Added: October 11, 2026
Zhukov A., Chen F., Zeng Y. et al., Nanoscale 2026 Vol. 18 No. 36 P. 19223–19253
Colloidal semiconductor nanocrystals have emerged as promising materials for next-generation light-emitting diodes (LEDs) owing to their solution processability, tunable emission wavelengths, narrow emission linewidths, and high photoluminescence quantum yields. Among them, anisotropic nanocrystals, including one-dimensional nanorods (NRs) and two-dimensional nanoplatelets (NPLs), offer additional opportunities for controlling transition dipole moment orientation and light out-coupling efficiency. These ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Milevskii N. et al., Molecular Systems Design and Engineering 2026 Vol. 11 No. 7 P. 691–704
The use of hydrophobic deep eutectic solvents (DESs) as extractants for metal ion separation is largely due to the ease of their preparation and the possibility of modifying them depending on the composition of the metal mixture to be separated. However, the most common approach to DES modification involves the replacement of the extractant, while ...
Added: October 2, 2026
Мальцева В. Е., Ananyev I., Golubev A. V. et al., Russian Journal of Inorganic Chemistry 2026 Vol. 71 P. 724–736
Two voluminous polymer silver(I) salts of perchlorinated dodecoborate clusters, {[(Me2CO)Ag(μ-Me2CO)2Ag(Me2CO)][μ-B12Cl12]}n (1) and {[DMFAg(μ-DMF)2AgDMF][μ-B12Cl12]}n (2) were synthesized. The 35Cl nuclear quadrupole resonance (NQR) spectroscopy supplemented with the X-ray diffraction data was applied for identifying and analyzing noncovalent interactions Cl···X in these salts. Whereas in X-ray diffraction, noncovalent interactions are associated with the presence of the shortened ...
Added: October 2, 2026
Мальцева В. Е., Rozhkov A., Ananyev I. et al., Inorganic Chemistry 2026 Vol. 65 No. 22 P. 12484–12496
Despite the well-established importance of chalcogen bonding in crystal engineering and supramolecular chemistry, experimental charge density data for TeII-centered chalcogen bonds have remained entirely absent, leaving the electronic nature of these interactions uncharacterized at the level of directly measured electron density. Here, we report the first high-resolution X-ray diffraction (HRXRD) study of TeII-centered chalcogen bonds, ...
Added: October 2, 2026
Ostovari Moghaddam A., Mehrabi-Kalajahi S., Solizoda I. A. et al., Metals and Materials International 2026 P. 1–9
Off-stoichiometric boron-doped chemically complex intermetallic alloys (CCIMAs) have recently emerged as a new avenue for overcoming the low temperature brittleness of ordered superlattices. However, their behavior at high temperatures remains unexplored. In this study, a novel (Ni39.6Co29.3Cr10Al15.8Ta3.3Nb2)98.5B1.5 CCIMA was prepared and its oxidation resistance over a wide temperature range (500 °C–950 °C) was studied. The ...
Added: October 1, 2026
Kashpurovich I., Oleynichenko A., Stegailov V., Supercomputing Frontiers and Innovations 2026 Vol. 13 No. 1 P. 52–73
We report a high-performance implementation of the resolution-of-the-identity Hartree–Fock method that fully exploits the permutational symmetry of three-center electron repulsion integrals (ERI). The present implementation adopts a hybrid MPI+OpenMP parallelization strategy. Two different algorithmic approaches (with and without the pre-transformation of ERIs) are compared. A custom data layout introduced previously is employed. Designed to efficiently ...
Added: September 28, 2026
Li Y., Han J., Zaman N. et al., ACS Applied Materials & Interfaces 2026 Vol. 18 No. 39 P. 54241–54251
The development of lead sulfide (PbS) quantum dot (QD) photodetectors for short-wave infrared (SWIR) applications has been fundamentally limited by the thermodynamic instability of large PbS QD facets, which leads to aggregation and epitaxial fusion. In this work, robust thermodynamic stabilization was achieved by introducing methylammonium chloride (MACl) in PbS QD surface passivation, as validated ...
Added: September 26, 2026
Zubov V., Вопросы лексикографии 2026 № 40 С. 64–86
The article addresses the problem of selecting and systematizing data for the study of pronunciation variation in contemporary Russian and proposes a solution in the form of a specialized database of codified equivalent pronunciation variants (e.g., simmétriya / simmetríya “symmetry”). The article presents a methodology for identifying, selecting, and organizing such variants into a database. ...
Added: July 23, 2026
Toukach P., Smirnova N. S., Zdorovenko E. L. et al., Analytical Chemistry 2026 Vol. 98 No. 15 P. 10988–10996
Pyruvylation is one of the immunochemically relevant modifications of O-antigens in bacterial and fungal cells. Therefore, fast and relatively simple analytical methods for identifying this modification are highly demanded. 13C NMR spectroscopy is the best candidate for this purpose, but its successful application requires using reference structures and reliable databases. In this work, we collected ...
Added: May 25, 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
Alshanskaia E., Martynova O., Portnova G. et al., Mendeley 2024
Eyetracking and vegetatics data in a cognitive load task
Published: 10 July 2024| Version 1
Description
Raw eyetracking and vegetatics data in a cognitive load task with additional false feedback in the second block. ...
Added: March 6, 2026
Kalyatin V., Интеллектуальная собственность. Авторское право и смежные права 2025 Т. 5 С. 53–59
Data annotation is an essential element of a database that ensures both the ability to efficiently search for information in the database and the training of artificial intelligence. This article is devoted to determining the place of annotation within the current civil legislation and addressing issues related to ensuring its legal protection. ...
Added: February 17, 2026
Krayushkin D. V., Казначеев П. А., Строганова С. М. et al., Геофизические процессы и биосфера 2025 Т. 24 № 3
During laboratory studies of many rock samples, it becomes necessary to develop an appropriate database. Adding new records and maintaining such databases is especially important when creating and updating mathematical and physical models describing hydrocarbon and ore deposits, gas storage facilities, engineering (in particular, transport, hydraulic, pipeline, etc.) structures, the development and operation of which ...
Added: September 21, 2025
Третьяков Б. А., Филатова Н. В., Мумятова В. А. et al., Бюллетень экспериментальной биологии и медицины 2023 Т. 175 № 1 С. 29–33
The principal possibility of inhibition of histone deacetylases (HDACs) in nuclear extract of HeLa cells by N1-hydroxy-N4-(pyridine-4-yl)succinamide (compound 1) has been investigated. Compound 1 inhibits HDAC and exhibits low toxicity to A-172, HepG2, HeLa, MCF-7, and Vero cells. HeLa cells are most sensitive to the compound. With an increase in the interval between the administration ...
Added: September 14, 2025
Курмаз С. В., Иванова И., Фадеева Н. В. et al., Известия Академии наук. Серия химическая 2023 Т. 72 № 6 С. 1349–1365
Polymer compositions of folic acid based on an amphiphilic copolymer of N-vinylpyrrolidone with methacrylic acid branched with triethylene glycol dimethacrylate have been developed and characterized by the methods of DLS, 1H NMR, IRS, DSC and TGA in solutions and in solid state. The effective binding constants of folic acid to copolymer in isopropyl alcohol and ...
Added: September 14, 2025
Сень В. Д., Филатова Н. В., Шилов Г. В. et al., Известия РАН. Серия химическая 2023 Т. 72 № 7 С. 1680–1687
New platinum(IV)-aminoxyl complexes (PAC) 2a,b have been synthesized, containing aminoxyl radical with antioxidant properties in one of equatorial position, and axial ligands are represented by dichloroacetate, capable of inhibiting energy production through glycolysis in tumor cells. Complexes 2a,b are characterized by moderate lipophilicity (lg Pow ~2) and differ in the redox properties of aminoxyls. Cytotoxic ...
Added: September 14, 2025
Балакина А. А., Гадомский С. Я., Коковина Т. С. et al., International Journal of Molecular Sciences 2023 Vol. 24 No. 22 Article 16360
Using a novel method of N-substituted succinimide ring opening, new N-hydroxybutanamide derivatives were synthesized. These compounds were evaluated for their ability to inhibit matrix metalloproteinases (MMPs) and their cytotoxicity. The iodoaniline derivative of N1-hydroxy-N4-phenylbutanediamide showed the inhibition of MMP-2, MMP-9, and MMP-14 with an IC50 of 1–1.5 µM. All the compounds exhibited low toxicity towards ...
Added: September 14, 2025
Курмаз С. В., Иванова И., Емельянова Н. С. et al., Mendeleev Communications 2023 Vol. 33 P. 255–258
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 ...
Added: September 14, 2025
Tatarin S., Krasnov L., Nykhrikova E. et al., Journal of Materials Chemistry C 2025 Vol. 13 No. 16 P. 8217–8227
Cyclometalated iridium(III) complexes are excellent emitters for organic light-emitting diodes (OLEDs), but the design of these compounds requires substantial cost and experimental efforts. In this work, we aimed at a simple and fast data-driven prediction of their luminescence properties based on the experimental data. To this end, we created a database (IrLumDB) that contains experimentally ...
Added: July 2, 2025
Albitskiy P., Vlasova E., Ivanenko A., , in: Teaching Russian Through STEM: Contexts, Tools, and ApproachesVol. 1st Edition.: L.: Routledge, 2024. Ch. 7 P. 159–182.
This chapter is a pedagogically oriented corpus-based study. It describes a method of selecting relevant vocabulary expressing causal relations in Academic Russian. Our study contributes to the corpus-based investigations of academic Russian texts and shows how computational techniques and language data analysis can be used to develop and simplify content-based and discipline-specific instruction for university ...
Added: April 24, 2025
Медведев И. А., Ustyuzhanin V., Zinkina J. V. et al., История и современность 2024 № 3 (53) С. 18–44
The article presents an assessment of the risks of large-scale political destabilization/civil wars in African countries using machine learning techniques. The main focus is on the application of algorithms, in particular the CatBoost model, to the analysis of a wide range of data from interdisciplinary sources (economic, social and political). A distinction is made between ...
Added: April 21, 2025
Kosonogov V., Efimov K., Kuskova O. et al., Europe's Journal of Psychology 2025 Vol. 21 No. 3 P. 152–159
The article introduces a dataset consisting of 160 one-minute affective video clips with normative values of valence and arousal. Each video was evaluated by 30 subjects, while each subject evaluated at least 20 videos. Compared to previous attempts to collect affective videos, the dataset has several advantages. Firstly, the high number of videos in different ...
Added: March 22, 2025