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IrCytoToxDB: a dataset of iridium(III) complexes cytotoxicities against various cell lines
Scientific data. 2024. Vol. 11. Article 870.
Krasnov L., Tatarin S., Daniil S., Bezzubov S.
Iridium(III) complexes nowadays became rising stars in various health-related applications. Thus, there is a necessity to assess cytotoxicity of the synthesized molecules against cancer/normal cell lines. In this report, we present a dataset of 2694 experimental cytotoxicity values of 803 iridium complexes against 127 different cell lines. We specify the experimental conditions and provide representation of the complexes molecules in machine-readable format. The dataset provides a starting point for exploration of new iridium-based cellular probes and opens new possibilities for predictions of toxicities and data-driven generation of new organometallic anticancer agents.
Derkacheva A., Sakirkina M., Kraev G. et al., /. 2026.
Comprehensive data on natural hazards and their consequences are crucial for effective for risk assessment, adaptation planning, and emergency response. However, many countries face challenges with fragmented, inconsistent, and inaccessible data, particularly regarding local-scale events. To address this data gap in Russia, we developed an end-to-end processing pipeline that scrapes news from various online sources, ...
Added: April 28, 2026
Domrin V. I., Malova H. V., V. Yu. Popov et al., Cosmic Research 2026 Vol. 64 No. 2 P. 238–252
During magnetospheric perturbations a relatively thin current sheet with thickness about several
proton gyroradii forms in the Earth’s magnetotail. In a framework of the kinetic model describing current
sheet thinning in the magnetotail, the processes of its formation are investigated depending on the normal
magnetic field magnitude which affects both the current sheet structure and particle dynamics within ...
Added: April 27, 2026
Tsareva O. O., Malova H. V., V. Yu. Popov et al., Plasma Physics Reports 2026 Vol. 52 No. 2 P. 179–185
The influence of asymmetry of plasma sources on the structure and spatial localization of a superthin
current sheet (STCS) supported by demagnetized electrons is studied using a self-consistent model. The
simulation takes into account the presence of a single plasma source in the northern hemisphere, which
makes the plasma flow asymmetric. It is demonstrated that the asymmetry of ...
Added: April 27, 2026
NY: Association for Computing Machinery (ACM), 2026.
It is our great pleasure to welcome you to the 35th edition of the Web Conference to be held on June 29 – July 3, 2026, in Dubai, United Arab Emirates.
Following discussions with our partners and key stakeholders, we have taken the decision to postpone the ACM Web Conference 2026, initially planned for April 2026. ...
Added: April 23, 2026
Kychkin A., Chernitsin I., Прикладная информатика 2026 Т. 21 № 1 С. 40–58
The results of the development of a software microservice embedded in atmospheric air quality monitoring systems to support the identification of industrial pollution sources are presented. The emission and subsequent spread of harmful substances in the lower layers of the atmosphere is dynamic and characterized by high uncertainty due to the specific features of technological ...
Added: April 23, 2026
Krasnov L., Malikov D., Kiseleva M. et al., Journal of Medicinal Chemistry 2026 Vol. 69 No. 8 P. 8838–8851
In this work, we developed a straightforward data-driven approach to predict the cytotoxicity of metal complexes based entirely on their (metal + ligands) composition. To this end, we have manually curated MetalCytoToxDB─a comprehensive experimental database comprising 26,500 IC50 values for 7050 metal complexes against 754 cell lines from 1921 articles. Based on these, machine learning ...
Added: April 23, 2026
Novikov A., Inorganic Chemistry Communications 2026 Article 116670
The reaction of copper(I) phenylacetylide [PhC ≡ CCu]n with the 2-pyridylphosphines (tBu2PyP and Ph2PyP) offers a straightforward route to structurally diverse clusters. With tBu2PyP, a trinuclear cluster [Cu3(C ≡ CPh)3(tBu2PyP)3] featuring a Cu3 triangular was isolated. Surprisingly, the reaction of [PhC ≡ CCu]n with Ph2PyP yields two isomeric clusters [Cu4(C ≡ CPh)4(Ph2PyP)4] with tetrahedral or zigzag-arranged Cu4 cores. Upon prolonged storage in acetonitrile, the tetrahedral Cu4 cluster converts to ...
Added: April 22, 2026
IEEE, 2026.
Added: April 21, 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
Wang M., Xiao Y., Braslavski P. et al., Mathematics 2026 Vol. 14 No. 8 Article 1286
Increasingly shaped by heterogeneous on-chain activity rather than a single shared market process, this study investigates 7-day-ahead forecasting using 147 market and on-chain indicators across eight major blockchain ecosystems from October 2023 to April 2025. We benchmark statistical, deep-learning, and foundation-model baselines under multiple feature-selection pipelines using both error metrics and Diebold–Mariano tests. TiRex achieves ...
Added: April 20, 2026
Shchur L., Antonov D., Burovski E., International Journal of Bifurcation and Chaos in Applied Sciences and Engineering 2026 P. 1–9
We present a simple model that simulates the possible influence of one society on another. Specifically, two societies evolve deterministically according to the well-known Nowak-May spatial game with the addition of mutual influence through connections that reflect the current states of the societies. This may be related to the influence of a global information resource ...
Added: April 20, 2026
Novikov A., Russian Journal of Organic Chemistry 2026 Vol. 62 Article 12
The dipolar [3+2]-cycloaddition reactions of 3-aroylpyrrolo[2,1-c][1,4]benzothiazine-1,2,4-triones with diarylnitrones lead to the formation of benzo[b]isoxazolo[5',4':2,3]pyrrolo[1,2-d][1,4]thiazines. The reac- tion proceeds stereoselectively to form exclusively the (2aS*,3R*,5aS*) diastereomers. Density functional theory computations for the model reaction showed that the (2aS*,3R*,5aS*) diastereomers are both kinetically and thermodynamically preferred over the alternative (2aS*,3S*,5aS*) diastereomers. At room temperature in solution, the ...
Added: April 19, 2026
Ebraheem A., Информационные процессы 2025 Т. 25 № 4 С. 787–798
The article proposes a method for planning the placement of access points and gateways inside buildings for constructing Internet of Things networks. The basis of the method is the use of information from a building information model, which makes it possible to easily take into account both the geometry and the physical and technical characteristics ...
Added: April 19, 2026
Makarov D. M., Kalikin N., Gurikov P. et al., Journal of Supercritical Fluids 2026 Vol. 235 Article 106979
Supercritical CO2 (scCO2 ) is an environmentally friendly solvent, but its low polarity limits the solubility of polar compounds. Cosolvents are commonly used to enhance solvation capability, yet comprehensive datadriven studies are scarce. We compiled the largest dataset to date — 4401 experimental solubility records with 22 cosolvents for 93 nonionic solutes, plus 4855 records ...
Added: April 19, 2026
Донников Ю. Е., Юстицинформ, 2021.
Монография посвящена анализу правовых вопросов, возникающих при осуществлении деятельности в сфере создания и использования баз данных, а также распоряжения правами на них. Базы данных исследуются как объект авторского права и как объект смежных прав. Монография ориентирована на предпринимателей, осуществляющих деятельность в сфере создания и использования баз данных, практикующих юристов, представителей судейского и научного сообщества, студентов, ...
Added: April 5, 2026
Bezzubov S., Kiseleva M., Inorganic Chemistry 2026 Vol. 65 No. 1 P. 13–20
Here, we present a new reaction of common octahedral iridium(III) complexes, [Ir(C^N)2(acac)] (C^N is the cyclometalated ligand, acac is acetylacetonate) with iodine, resulting in the high-yield preparation of unique crystalline polymers, [Ir(C^N)2I3]n, in which the Ir(C^N)2+ fragments are linked by triiodide bridges. The solid polymers show good photo- and thermal stability up to 200 °C in ...
Added: February 17, 2026
Bezzubov S., Tatarin S., Kinzhalov M. et al., Inorganic Chemistry 2026 Vol. 65 No. 3 P. 1793–1800
A series of ESIPT-capable IrIII-(acyclic diaminocarbene species) (ESIPT = Excited-state intramolecular proton transfer) exhibiting strong photoluminescence properties is described. The emission profile is strongly influenced by the nature of the azaheterocyclic fragment in the diaminocarbene ligand: pyrazine-derived species display phosphorescence bands red-shifted by approximately 100 nm compared to their pyridine analogues. This redshift is attributed ...
Added: February 17, 2026
Tatarin S., Zhuravlev I., Minin M. et al., Inorganic Chemistry 2025 Vol. 64 No. 50 P. 24579–24593
To date, the design of stable panchromatic metal complexes simultaneously exhibiting reversible redox behavior remains a challenging endeavor, underscoring the need for new ligand platforms to expand their absorption spectrum. In this study, we report the synthesis and characterization of octahedral bis-cyclometalated iridium(III) complexes with redox-active o-semiquinone/o-iminosemiquinone ancillary ligands, which exhibit exceptional chemical stability and intense ...
Added: February 17, 2026
Chetyrkina M. R., Umriukhin P., Ershova E. et al., Biomaterials Translational 2025
Added: February 10, 2026
Sorokin P. S., Novikova V., Goshin M. E., Frontiers in Psychology 2025 Vol. 16 Article 1716164
Agency is a multidisciplinary concept denoting individual ability to initiate and carry out actions that transform one’s own life and social environment. Traditionally, in psychology, agency is viewed as an internal characteristic—a constellation of motives, attitudes, and cognitive schemas that drive human action. Studies of this sort focus on the desire to be active, the ...
Added: December 11, 2025
Krasnov L., Malikov D., Kiseleva M. et al., Scientific data 2025 Vol. 12 Article 1236
Solubility is one of the key properties of organic compounds that determines their applications in chemistry, materials science and pharmaceuticals. However, predicting solubility values in any solvent except water from a molecular structure still remains a challenging task in modern cheminformatics, not least due to the lack of large and diverse datasets. In this study, ...
Added: July 15, 2025
Shestakova L. V., Семакин И. Г., Залогова Л. А. et al., М.: Просвещение, 2024.
The textbook is intended for studying computer science at the basic level in the 9th grade of general education organizations. The textbook contains the theoretical course material, questions and assignments for consolidation of knowledge. At the end of each chapter, the system of basic concepts of this chapter is presented schematically. The textbook is part ...
Added: July 7, 2025
Nykhrikova E., Kiseleva M., Kalle P. et al., Inorganic Chemistry 2025 Vol. 64 No. 10 P. 5210–5220
Multifunctional compounds with properties that may be triggered by different external stimuli are highly desirable yet challenging in their design and synthesis. Herein, we report a cyclometalated iridium(III) complex based on bulky 1,2-diphenylphenanthroimidazole (C^N) that can easily change its molecular geometry from trigonal-bipyramidal to octahedral or from a monomeric to dimeric state in response to ...
Added: July 2, 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