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Synthesis, X-ray and DFT Studies of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones
Chemistry Of Heterocyclic Compounds. 2022. Vol. 58. No. 8. P. 432–437.
The Richter cyclization was used for the synthesis of 6-halo-3-(hydroxymethyl)cinnolin-4(1H)-ones. X-ray analysis revealed that these compounds exist as dimers in their crystal state, wherein two molecules are linked by intermolecular double and bifurcated hydrogen bonds that can explain their low solubility. Theoretical study of bifurcated hydrogen bonds responsible for the dimerization was carried out by DFT calculations as well as by topological analysis of the electron density distribution within the framework of Bader's theory.
Language:
English
Springer, 2026.
Two volumes of the SPECOM 2026 proceedings contain a collection of submitted papers presented at SPECOM 2026, which were thoroughly reviewed by members of the Program Committee and additional reviewers consisting of almost 80 experts in the conference topic areas. In total, 65 regular full papers out of 99 submissions made via the EasyChair electronic ...
Added: September 20, 2026
sobov P., Yakushev I., Shestakov A. et al., Organometallics 2025 Vol. 44 No. 24 P. 2873–2881
Interaction of {Cryptand(K+)}(C60•–) with CpCo(CO)2 yields the air-sensitive crystalline salt {Cryptand(K+)}{CpCo(CO)-η2-C60•–} (1), in which C60•– replaces carbonyl group in CpCo(CO)2. Two Co–C bonds of 2.028(9) and 2.057(8)Å are formed. The magnetic moment of 1 is 1.72 μB, indicating a doublet S = 1/2 spin state of {CpCo(CO)-η2-C60•–} at 300 K. The compound shows a broad ...
Added: September 20, 2026
Aleksei Samarin, Alexander Savelev, Aleksei Toropov et al., Pattern Recognition and Image Analysis 2026 Vol. 36 No. 2 P. 323–334
In this paper, an improved approach for automatic wildlife detection in natural environments based on the integration of a neural network architecture with a two-stream attention mechanism and a novel preclassification step based on infrared data has been presented. The proposed method addresses one of the key challenges in environmental monitoring: the need for scalable ...
Added: September 19, 2026
Aleksei Samarin, Nazarenko A., Kotenko E. et al., Proceedings of the ACM on Management of Data, USA 2026 Vol. 4 No. 1 P. 1–28
Modern knowledge and large volumes of data are increasingly encoded within neural networks, making the task of simplifying their structures and reducing the number of parameters especially relevant, both to improve efficiency and to facilitate deployment in resource-constrained environments. This paper presents a novel approach to neural network compression that addresses redundancy at both the ...
Added: September 19, 2026
Aleksei Samarin, Alexander Savelev, Aleksei Toropov et al., Pattern Recognition and Image Analysis 2025 Vol. 35 No. 2 P. 148–158
This paper describes our research on creating classifiers for microbial images (micrococci microscopy images) obtained from pictures of unfixed microscopic scenes. In our work, we propose an AutoML approach based on the automatic generation and analysis of the feature space for constructing the most optimal descriptors of microorganism images for subsequent classification. This makes it ...
Added: September 19, 2026
Aleksei Samarin, Alexander Savelev, Aleksei Toropov et al., Pattern Recognition and Image Analysis 2026 Vol. 36 No. 2 P. 302–312
The lack of annotated microscopic datasets remains a major obstacle to training robust deep learning models for microbial classification. In this paper, a novel data augmentation pipeline that uses visual–linguistic large-scale models to generate synthetic microscopic images of six different bacterial and nonbacterial classes has been proposed. Synthetic samples have gradually been added to the ...
Added: September 19, 2026
Springer, Cham, 2026.
computer vision ...
Added: September 19, 2026
Springer, Cham, 2026.
Added: September 19, 2026
FRUCT Oy, 2024.
Added: September 19, 2026
FRUCT Oy, 2024.
Added: September 19, 2026
FRUCT Oy, 2025.
Added: September 19, 2026
FRUCT Oy, 2026.
Added: September 19, 2026
Aleksei Samarin, Nazarenko A., Kotenko E. et al., Machine Learning and Knowledge Extraction 2026 Vol. 8 No. 8 P. 1–26
This paper presents a novel method for pruning deep neural networks based on the concept of flow, derived from the continuous modeling of signal propagation across layers. We derive flow functions for fully connected, convolutional, and self-attention architectures, and we propose a new iterative pruning algorithm, Iterative Flow-Aware Pruning (IFAP), that leverages these measures to ...
Added: September 19, 2026
Myachin A. L., Procedia Computer Science 2026 Vol. 287 P. 193–200
We extend the static pattern analysis method to the temporal dimension by introducing a six-type trajectory taxonomy that classifies objects according to the frequency and structure of pattern switches over an observation window of T > 8 periods. For each object, a reference pattern is designated as the most frequently occupied group over the observation ...
Added: September 18, 2026
Громов Р. С., Нестеров Р.А., Proceedings of the Institute for System Programming of the RAS 2026 Vol. 38 No. 4 P. 23–44
This paper explores the performance criteria of the newest algorithm for solving the problem of finding shortest paths on a graph from a given vertex – Bounded Multi-Source Shortest Path Algorithm
(BM-SSP). The algorithm was published in 2025 and, as its creators claim, it is asymptotically superior to Dijkstra’s deterministic algorithm. However, in the publication devoted ...
Added: September 18, 2026
Shaitan A., Ke Y., Shutao C. et al., BMC Biology 2026 No. 24 Article 181
Background Therapeutic peptides exert pivotal effects in diverse biological processes, and have attracted significant interest in the field of biomedicine in recent years. However, most existing methods often fail to adequately capture the intricate interactions among amino acid residues and the contextual dependencies within peptide sequences, which hampers the extraction of deep semantic representations and ...
Added: September 18, 2026
Anton Rogachev, Sysoeva O., Frontiers in Systems Neuroscience 2025 Vol. 19 Article 1658243
Added: September 17, 2026
Rogachev A.O., Sysoeva O. V., Cognitive Systems Research 2024 Vol. 86 Article 101236
Receptive speech is the ability to understand speech addressed to a person. It is a crucial process for a child’s cognitive development. We examine the relationship between receptive speech and neural tracking of natural speech in 52 children aged 3–8 years to infer the neurophysiological mechanisms underlying speech development. We registered a 32-channel electroencephalogram (EEG) ...
Added: September 17, 2026
Кузнецов М. Е., Полякова М., Лукьянович В. et al., ФАНУ "Востокгосплан", 2026.
Обзор международных практик развития робототехники и искусственного интеллекта и оценка возможностей их применения в условиях России, в первую очередь для Дальнего Востока и Арктической зоны РФ ...
Added: September 16, 2026
Lukacheva S., Zakharova E., Makhaneva A. et al., Journal of Solid State Chemistry 2025 Vol. 345 Article 125223
A new gallium-rich intermetallic Ti2-xNi3Ga9 was synthesized by high-temperature techniques as bulk samples and single crystals. The composition and structure of the compound were established by a combination of single-crystal and powder X-ray analysis and energy-dispersive X-ray spectroscopy. The obtained intermetallic compound crystallizes in its own structure type and has a narrow homogeneous region of ...
Added: February 23, 2026
Pankov R., Prima D., Kostyukovich A. et al., Dalton Transactions 2023 Vol. 52 No. 13 P. 4122–4135
Pd/NHC complexes (NHCs – N-heterocyclic carbenes) with electron-withdrawing halogen groups were prepared by developing an optimized synthetic procedure to access imidazolium salts and the corresponding metal complexes. Structural X-ray analysis and computational studies have been carried out to evaluate the effect of halogen and CF3 substituents on the Pd–NHC bond and have provided insight into ...
Added: February 14, 2024
Astakhov A., Chernenko A., Kutyrev V. et al., Inorganic Chemistry Frontiers 2023 Vol. 10 No. 1 P. 218–239
C-Amino-1,2,4-triazoles are challenging polynitrogen substrates for metal-catalyzed arylation due to their multidentate character, enhanced coordinating ability and decreased nucleophilicity of the amino group. In the present study, the Buchwald–Hartwig cross-coupling of diverse 3(5)-amino-1,2,4-triazoles with aryl chlorides and bromides delivering (hetero)arylamino-1,2,4-triazoles in good-to-excellent yields under Pd/NHC catalysis was developed. The use of Pd complexes with bulky ...
Added: February 14, 2024
Yartys V., Berezovets V., Vajeeston P. et al., Acta Materialia 2023 Vol. 244 Article 118549
Understanding an interrelation between the structure, chemical composition and hydrogenation properties of intermetallic hydrides is crucial for the improvement of their hydrogen storage performance. Ability to form the hydrides and to tune the thermodynamics and kinetics of their interaction with hydrogen is related to their chemical composition. Some features of the metal–hydrogen interactions remain however ...
Added: February 13, 2024
Derkach K., Maxim A. Gureev, Babushkina A. et al., International Journal of Molecular Sciences 2023 Vol. 24 No. 5 Article 4498
Dual inhibitors of protein phosphotyrosine phosphatase 1B (PTP1B)/T-cell protein phosphotyrosine phosphatase (TC-PTP) based on the 3-(hydroxymethyl)-4-oxo-1,4-dihydrocinnoline scaffold have been identified. Their dual affinity to both enzymes has been thoroughly corroborated by in silico modeling experiments. The compounds have been profiled in vivo for their effects on body weight and food intake in obese rats. Likewise, ...
Added: February 1, 2024