Education

Mendeleev University of Chemical Technology of Russia
2007 — 2012, Specialist, Higher College of Chemistry of the Russian Academy of Sciences (VHK)
Konnov A.A., Lisyutkin A.D., Vinogradov D.B., Nazarova A.A., Pivkina A.N., Fershtat L.L.
Organic Letters scimago Q1 wos Q1
2025-04-01 citations by CoLab: 0
Stebletsova I.A., Larin A.A., Matnurov E.M., Ananyev I.V., Babak M.V., Fershtat L.L.
Pharmaceutics scimago Q1 wos Q1 Open Access
2025-02-10 citations by CoLab: 0 PDF Abstract  
Background: Nitric oxide (NO) has been linked to the pathogenesis of asbestos-related pleural diseases, including an extremely aggressive cancer called malignant pleural mesothelioma (MPM). Given that MPM cells are characterized by a higher expression of NO synthases and elevated NO production relative to normal cells, the use of NO-donor compounds could potentially saturate the cancerous cells with NO, triggering their death. Methods: We developed a novel class of NO prodrugs by merging two NO-releasing components, 1,2,5-oxadiazole 2-oxides (furoxans) and 1,2,4-oxadiazoles, and studied their NO-releasing characteristics in a time-dependent manner using the Griess assay. The cytotoxicity against two human MPM cell lines and non-cancerous lung fibroblasts was evaluated using a colorimetric MTT assay. Results: All compounds exhibited excellent NO-donating properties, surpassing the capacity of two reference NO donor compounds, 3-carbamoyl-4-(hydroxymethyl)furoxan (CAS-1609) and 4-ethoxy-3-phenylsulphonylfuroxan (CHF-2363), by at least 1.5–3 times. All oxadiazole hybrids demonstrated high cytotoxicity against MPM cell lines in a low micromolar range, comparable or higher than the cytotoxicity of the standard-of-care drug cisplatin. Conclusions: Notably, the novel compounds displayed a markedly greater selectivity towards cancerous cells than cisplatin when compared with non-cancerous lung fibroblasts, aligning with the intended design.
Khakimov D.V., Fershtat L.L., Pivina T.S.
Energetic Materials Frontiers scimago Q2 wos Q2 Open Access
2025-02-01 citations by CoLab: 0
Vinogradov D.B., Fershtat L.L.
Chemical Engineering Journal scimago Q1 wos Q1
2025-01-01 citations by CoLab: 2
Deltsov I.D., Vinogradov D.B., Monogarov K.A., Fershtat L.L.
Journal of Organic Chemistry scimago Q2 wos Q1
2024-12-13 citations by CoLab: 0
Kiselev V.G., Sadykov A.R., Melnikov I.N., Fomenkov I.V., Fershtat L.L., Pivkina A.N., Muravyev N.V.
2024-11-13 citations by CoLab: 0 Abstract  
Thermal stability of 4,4′-dinitro-3,3′-diazenofuroxan, an ultrahigh-performance energetic material, was studied using a complementary combination of thermal analysis and quantum chemical calculations. The Library of Congress is credited for the image of the Sumari, image ID cph 3g08655.
Shaferov A., Ananyev I., Monogarov K., Fomenkov I., Pivkina A., Fershtat L.
ChemPlusChem scimago Q1 wos Q2
2024-10-23 citations by CoLab: 1 Abstract  
AbstractDesign and synthesis of new energetic materials retains its urgency in chemistry and materials science. Herein, rational construction and regioselective synthesis of a series of energetic compounds comprising of a methylene‐bridged combination of 1,2,5‐oxadiazole and nitrogen‐rich azoles (1,2,4‐triazole and tetrazole) enriched with additional explosophoric functionalities (nitro and azo moieties) is presented. All target materials were thoroughly characterized using IR and multinuclear NMR (1H, 13C, 14N, 15N) NMR spectroscopy, high‐resolution mass spectrometry, X‐ray diffraction, and differential scanning calorimetry. All synthesized energetic substances showed good thermal stability (up to 239 °C) and low mechanical sensitivity, while their performance reached or exceeded the level of TNT.
Shuvaev A., Feoktistov M., Teslenko F., Fershtat L.
2024-10-10 citations by CoLab: 0 Abstract  
AbstractSynthetic electrochemistry may establish direct routes to a preparation of a plethora of organic substances, which are hardly accessible by conventional experimental techniques. Herein, we present an electrochemically‐driven method for an assembly of a broad range of rare heterocyclic mesoionic entities –1,2,3‐triazole 1‐imines. These nitrogen heterocycles were prepared through a transition‐metal‐ and exogenous oxidant‐free strategy using a C/Ni electrode pair. Over 30 examples of thus synthesized 1,2,3‐triazole 1‐imines illustrate selectivity and practical utility of this approach. Key solvent‐controlled reactivity patterns for the formation of the triazole imine scaffold were revealed indicating a modulation ability of the developed approach. These experimental findings were additionally justified based on cyclic voltammetry (CV) data and density functional theory (DFT) calculations. Moreover, according to differential scanning calorimetry (DSC) data, some of the prepared 1,2,3‐triazole 1‐imines correspond to the thermally stable species with an onset decomposition temperature up to 190 °C.
Khoranyan T.E., Larin A.A., Suponitsky K.Y., Ananyev I.V., Melnikov I.N., Kosareva E.K., Muravyev N.V., Dalinger I.L., Pivkina A.N., Fershtat L.L.
2024-09-25 citations by CoLab: 1
Sidunets Y.A., Melekhina V.G., Fershtat L.L.
2024-09-16 citations by CoLab: 0 Abstract  
A straightforward protocol for the synthesis of a previously unknown [1,2,5]oxadiazolo[3,4-d][1,2,3]triazin-7(6H)-one heterocyclic system was developed. The described approach is based on tandem diazotization/azo coupling reactions of (1,2,5-oxadiazolyl)carboxamide derivatives bearing both aromatic and aliphatic substituents. The NO-donor ability of the synthesized furoxano[3,4-d][1,2,3]triazin-7(6H)-ones was additionally evaluated. The elaborated method provides access to novel nitrogen heterocyclic compounds with potential applications as drug candidates or thermostable components of functional organic materials.
Titenkova K., Chaplygin D.A., Fershtat L.L.
ChemElectroChem scimago Q2 wos Q2 Open Access
2024-08-12 citations by CoLab: 6 PDF Abstract  
AbstractElectrochemistry became a unique and powerful tool for the preparation of a plethora of valuable chemical species including functional materials, drug candidates and clinically approved pharmaceuticals. Organic electrosynthesis well satisfies main goals of green chemistry development and is considered as one of the useful approaches toward the creation of sustainable future. Since nitrogen heterocyclic scaffolds still retain their importance for the construction of novel materials and medications, one of the emerging trends in organic electrochemistry is the discovery of novel green and sustainable synthetic methods toward the assembly of heterocyclic subunits. In this regard, organic electrochemistry provides an efficient platform for environmentally benign generation of various nitrogen‐centered radicals which are prominent intermediates in the synthesis of nitrogen heterocycles. In this Review, recent developments in the creation of green synthetic methods for the construction of nitrogen heterocycles via electrochemical generation of nitrogen‐centered radicals are summarized. The special emphasis is devoted to the influence of solvent, electrodes and electrolytes on the electrochemical step, since these crucial parameters regulate the process efficiency.
Charushin Valery N., Verbitskiy Egor V., Chupakhin Oleg N., Vorobyeva Daria V., Gribanov Pavel S., Osipov Sergey N., Ivanov Andrey V., Martynovskaya Svetlana V., Sagitova Elena F., Dyachenko Vladimir D., Dyachenko Ivan V., Krivokolysko Sergey G., Dotsenko Viktor V., Aksenov Aleksandr V., Aksenov Dmitrii A., et. al.
Russian Chemical Reviews scimago Q1 wos Q1 Open Access
2024-08-12 citations by CoLab: 37 PDF Abstract  
The chemistry of heterocyclic compounds has traditionally been and remains a bright area of chemical science in Russia. This is due to the fact that many heterocycles find the widest application. These compounds are the key structural fragments of most drugs, plant protection agents. Many natural compounds are also derivatives of heterocycles. At present, more than half of the hundreds of millions of known chemical compounds are heterocycles. This collective review is devoted to the achievements of Russian chemists in this field over the last 15–20 years. The review presents the achievements of leading heterocyclists representing both RAS institutes and university science. It is worth noting the wide scope of the review, both in terms of the geography of author teams, covering the whole of our large country, and in terms of the diversity of research areas. Practically all major types of heterocycles are represented in the review. The special attention is focused on the practical applications of heterocycles in the design of new drugs and biologically active compounds, high-energy molecules, materials for organic electronics and photovoltaics, new ligands for coordination chemistry, and many other rapidly developing areas. These practical advances would not be possible without the development of new fundamental transformations in heterocyclic chemistry.The bibliography includes 2237 references.
Ananyev I.V., Fershtat L.L.
Mendeleev Communications scimago Q3 wos Q3
2024-07-01 citations by CoLab: 0
Muravyev N.V., Meerov D.B., Monogarov K.A., Kosareva E.K., Melnikov I.N., Pronkin D.K., Fershtat L.L., Klenov M.S., Kormanov A.V., Dalinger I.L., Kuchurov I.V., Fomenkov I.V., Pivkina A.N.
2024-04-03 citations by CoLab: 7
Nazin G.M., Kazakov A.I., Nabatova A.V., Fershtat L.L., Larin A.A.
2024-04-01 citations by CoLab: 0 Abstract  
The decomposition rates of diphenylfuroxane and a number of 4-nitro-3-alkyl-furoxanes in dilute solutions are measured by the manometric and calorimetric methods. An increase in the reaction rate with an increase in the polarity of the solvent is not detected in any instance, which corresponds to the absence of an increase in the dipole moment of the molecule during the formation of a transition state (TS). Based on this result, a conclusion is made about the biradical (BR) mechanism of the decomposition of uncondensed disubstituted furoxanes (FOs) in solutions.
Petrosyan A.V., Shahkhatuni A.A., Davinyan A.M., Avetisyan K.S., Ghochikyan T.V., Samvelyan M.A., Nenajdenko V.G., Galstyan A.S.
Chemistry scimago Q2 wos Q3 Open Access
2025-04-01 citations by CoLab: 0 PDF Abstract   Cites 1
As examples of “Click Chemistry”, the reaction of 1-(oxiran-2-ylmethyl)piperidine with several 1,2,4-triazoles derivatives was studied. As a result, the reaction shows that the oxirane ring opens regiospecifically, according to Krasusky’s rule, without using a catalyst. The basic nitrogen present in 1-(oxiran-2-ylmethyl)piperidine has a catalytic (anchimer) effect.
Konnov A.A., Lisyutkin A.D., Vinogradov D.B., Nazarova A.A., Pivkina A.N., Fershtat L.L.
Organic Letters scimago Q1 wos Q1
2025-04-01 citations by CoLab: 0 Cites 9
Kumar G., Seboletswe P., Mishra S., Manhas N., Ghumran S., Kerru N., Roquet-Banères F., Foubert M., Kremer L., Bhargava G., Singh P.
ChemMedChem scimago Q1 wos Q2
2025-04-01 citations by CoLab: 0 Abstract   Cites 1
A new series of isoniazid‐dihydropyrimidinone molecular hybrids (8a–8n) were designed, synthesized and structurally characterized using different spectroscopic techniques viz., Fourier transform infrared spectroscopy, nuclear magnetic resonance (NMR), and high‐resolution mass spectrometry followed by their antitubercular evaluation including their precursors (4a–4n), and a standard antitubercular drug (isoniazid; INH). The molecular hybrids particularly 8g (minimum inhibitory concentration (MIC) = 6.25 μg mL−1), 8h (MIC = 1.56 μg mL−1), 8k (MIC = 0.78 μg mL−1), 8l (MIC = 6.25 μg mL−1), and 8n (MIC = 0.39 μg mL−1) demonstrated the most potent inhibitory activity against wild‐type M. tuberculosis mc26230, disclosing 8n as the most potent compound in the series. However, the potent compounds lost their activity against three INH‐resistant M. tuberculosis strains mutated in katG. The more efficient compounds (8h, 8k, and 8n) were subsequently evaluated for their cytotoxicity against the THP‐1 human monocytic cell line. Furthermore, the stability studies of the most potent compound carried out using 1H NMR, UV‐visible, and liquid chromatography‐mass spectrometry revealed their structural integrity. Finally, in silico molecular docking simulations were conducted to explore the binding orientations of the potent compounds in the active site of the target protein InhA while ADME/T (absorption, distribution, metabolism, excretion, and toxicity) and global reactivity parameters were explored to determine their drug‐likeness and stability profiles, respectively.
Jin G., Lei C., Tang J., Cheng G., Yang H.
2025-04-01 citations by CoLab: 2 Abstract   Cites 2
In this work, a new series of monocyclic compounds based on 1,2,4-oxadiazol-5(4H)-one was synthesized. The molecular structure, thermal stability and sensitivity to external stimuli for these compounds were characterized by X-ray diffraction analysis, NMR (1H and 13C) spectroscopy, IR spectroscopy, differential scanning calorimetry (DSC) and the standard BAM method. Compound 3-((2,2,2-trinitroethyl) amino)-1,2,4-oxadiazol (3) with trinitromethyl exhibits a higher decomposition temperature (Td = 143°C) than that of 3-(dinitromethyl)-1,2,4-oxadiazol-5-one (4) (Td = 76°C) reported in the literature. In addition, compound 3 exhibits lower impact sensitivities (IS) (IS = 10 J) than 4, N3-(2,2,2-Trinitroethyl)-1,2,4-oxadiazole-3,5-diamine (5) and RDX (4: 6 J; 5: 6 J; RDX: 7.4 J). Charge distribution and Hirshfeld surface were calculated to make further research on the intermolecular interaction of 3 with trinitromethyl. The difference in stability of these compounds is mainly due to the existence of intermolecular hydrogen bonds. These results indicate that compound 3 has promising application prospects as the energetic material.
Song Y., Ding Y., Su J., Li J., Ji Y.
2025-03-24 citations by CoLab: 0 Abstract   Cites 1
AbstractCo‐crystal engineering is of interest for many applications in pharmaceutical, chemical, and materials fields, but rational design of co‐crystals is still challenging. Although artificial intelligence has revolutionized decision‐making processes in material design, limitations in generalization and mechanistic understanding remain. Herein, we sought to improve prediction of co‐crystals by combining mechanistic thermodynamic modeling with machine learning. We constructed a brand‐new co‐crystal database, integrating drug, coformer, and reaction solvent information. By incorporating various thermodynamic models, the predictive performance was significantly enhanced. Benefiting from the complementarity of thermodynamic mechanisms and structural descriptors, the model coupling three thermodynamic models achieved optimal predictive performance in coformer and solvent screening. The model was rigorously validated against benchmark models using challenging independent test sets, showcasing superior performance in both coformer and solvent predicting with accuracy over 90%. Further, we employed SHAP analysis for model interpretation, suggesting that thermodynamic mechanisms are prominent in the model's decision‐making. Proof‐of‐concept studies on ketoconazole validated the model's efficacy in identifying coformers/solvents, demonstrating its potential in practical application. Overall, our work enhanced the understanding of co‐crystallization and highlighted the strategy that integrates mechanistic insights with data‐driven models to accelerate the rational design and synthesis of co‐crystals, as well as various other functional materials.
Song Y., Ding Y., Su J., Li J., Ji Y.
2025-03-24 citations by CoLab: 0 Abstract   Cites 1
AbstractCo‐crystal engineering is of interest for many applications in pharmaceutical, chemical, and materials fields, but rational design of co‐crystals is still challenging. Although artificial intelligence has revolutionized decision‐making processes in material design, limitations in generalization and mechanistic understanding remain. Herein, we sought to improve prediction of co‐crystals by combining mechanistic thermodynamic modeling with machine learning. We constructed a brand‐new co‐crystal database, integrating drug, coformer, and reaction solvent information. By incorporating various thermodynamic models, the predictive performance was significantly enhanced. Benefiting from the complementarity of thermodynamic mechanisms and structural descriptors, the model coupling three thermodynamic models achieved optimal predictive performance in coformer and solvent screening. The model was rigorously validated against benchmark models using challenging independent test sets, showcasing superior performance in both coformer and solvent predicting with accuracy over 90%. Further, we employed SHAP analysis for model interpretation, suggesting that thermodynamic mechanisms are prominent in the model's decision‐making. Proof‐of‐concept studies on ketoconazole validated the model's efficacy in identifying coformers/solvents, demonstrating its potential in practical application. Overall, our work enhanced the understanding of co‐crystallization and highlighted the strategy that integrates mechanistic insights with data‐driven models to accelerate the rational design and synthesis of co‐crystals, as well as various other functional materials.
Gribanov P.S., Philippova A.N., Smol’yakov A.F., Tukhvatullina D.N., Vlasova V.A., Topchiy M.A., Asachenko A.F., Osipov S.N.
Molecules scimago Q1 wos Q2 Open Access
2025-03-21 citations by CoLab: 0 PDF Abstract   Cites 1
An efficient access to novel 2-substituted 1H-imidazole derivatives was developed based on acid-mediated denitrogenative transformation of 5-amino-1,2,3-triazole derivatives available through dipolar azide−nitrile cycloaddition (DCR). The proposed approach includes intramolecular cyclization of 5-amino-4-aryl-1-(2,2-diethoxyethyl) 1,2,3-triazoles followed by triazole ring opening and insertion of in situ formed carbene intermediate into the O-H bond of different alcohols under acidic conditions.
Das A.R., Sarkar A., Das D., Paul S., Saha M., Dhara S., Islam S., Kausar N.
Synlett scimago Q3 wos Q3
2025-03-21 citations by CoLab: 0 Abstract   Cites 1
AbstractDriven by advances in the pharmaceutical industry and in materials science, the search for innovative strategies for the synthesis and functionalization of coumarin-fused nitrogenous heterocycles has intensified. These compounds, which combine the bioactive coumarin core with various nitrogen-containing heterocycles, are of significant interest due to their diverse biological activities and promising potential applications. Traditional methods for synthesizing these hybrid structures often encounter challenges such as low yields, limited functional group compatibility and rigorous reaction conditions. To address these challenges, there is a growing need for the development of advanced synthetic strategies that can effectively and efficaciously produce the aforementioned heterocyclic scaffolds. Towards this goal, annulation strategies (e.g., cyclization, condensation, multicomponent reactions, transition-metal-catalyzed reactions, etc.) represent pivotal techniques to construct coumarin-fused nitrogenous heterocycles, which evade the constraints of conventional approaches. In this account, we highlight our recent progress on the construction of these complex heterocyclic scaffolds in order to pave the way for further developments in this dynamic field.1 Introduction2 Exploring Acid-Catalyzed Annulation Strategies3 Annulation Strategies Based on C–H Activation4 Oxidative Annulation Strategies5 Conclusion
Vinogradov D.B., Fershtat L.L.
Chemical Engineering Journal scimago Q1 wos Q1
2025-01-01 citations by CoLab: 2
Qian W., Huang J., Guo S., Duan B., Xie W., Liu J., Zhang C.
Energetic Materials Frontiers scimago Q2 wos Q2 Open Access
2024-12-01 citations by CoLab: 2 Abstract  
In this work, a high-throughput computation (HTC) and machine learning (ML) combined method was applied to identify the determining factors of the detonation velocity (vd) and detonation pressure (pd) of energetic molecules and screen potential high-energy molecules with acceptable stability in a high-throughput way. The HTC was performed based on 1725 sample molecules abstracted from a dataset of over 106 linear nitroaliphatics with 1- to 6-membered C backbones and three types of substituents, namely single nitro group (-NO2), nitroamine (-NNO2), and nitrate ester (-ONO2). ML models were established based on the HTC results to screen high-energy molecules and to identify the determining factors of vd and pd. Compared with quantum chemistry calculation results, the absolute relative errors of vd and pd obtained using the ML models were less than 3.63% and 5%, respectively. Furthermore, eight molecules with high energy and acceptable stability were selected as potential candidates. This study shows the high efficiency of the combination of HTC and ML in high-throughput screening.
Jain M., Crites M.K., Rich P., Bajantri B.
Journal of Clinical Medicine scimago Q1 wos Q1 Open Access
2024-09-30 citations by CoLab: 5 PDF Abstract  
Mesotheliomas are hyperplastic tumors that envelop the serosal membranes that safeguard the body’s external surfaces. Although certain instances may exhibit indolent characteristics, a significant number of tumors demonstrate rapid progression and a poor prognosis. Mesotheliomas are typically categorized as benign or malignant, with malignant mesothelioma being more frequently linked to asbestos exposure. Malignant pleural mesothelioma (MPM) predominantly impacts males and often emerges in the late 50 s or beyond, characterized by a median age of early 70 s among patients exposed to asbestos lasting from 2 to 4 decades. Respiratory exposure to asbestos particles leads to the development of malignant mesothelioma, characterized by recurrent inflammation, disruption of cell division, activation of proto-oncogenes, and generation of free radicals. In pleural mesothelioma, BAP1, CDKN2A, and NF are the most often mutated genes. Accurate diagnosis and assessment usually require the use of chest computed tomography (CT) scans, magnetic resonance imaging (MRI), and positron emission tomography (PET). Radiation therapy, immunotherapy, chemotherapy, and surgery are some of the treatment options that are currently available. This systematic review provides a comprehensive analysis of the latest research, biomarkers, evaluation, and management strategies for malignant pleural mesothelioma.
Liu Y., Diankai Q., Xu Z., Yi P., Peng L.
2024-08-30 citations by CoLab: 2
Bua S., Nocentini A., Bonardi A., Palma G., Ciampi G., Giliberti A., Iannelli F., Bruzzese F., Supuran C.T., de Nigris F.
Journal of Medicinal Chemistry scimago Q1 wos Q1
2024-08-29 citations by CoLab: 2
Titenkova K., Chaplygin D.A., Fershtat L.L.
ChemElectroChem scimago Q2 wos Q2 Open Access
2024-08-12 citations by CoLab: 6 PDF Abstract  
AbstractElectrochemistry became a unique and powerful tool for the preparation of a plethora of valuable chemical species including functional materials, drug candidates and clinically approved pharmaceuticals. Organic electrosynthesis well satisfies main goals of green chemistry development and is considered as one of the useful approaches toward the creation of sustainable future. Since nitrogen heterocyclic scaffolds still retain their importance for the construction of novel materials and medications, one of the emerging trends in organic electrochemistry is the discovery of novel green and sustainable synthetic methods toward the assembly of heterocyclic subunits. In this regard, organic electrochemistry provides an efficient platform for environmentally benign generation of various nitrogen‐centered radicals which are prominent intermediates in the synthesis of nitrogen heterocycles. In this Review, recent developments in the creation of green synthetic methods for the construction of nitrogen heterocycles via electrochemical generation of nitrogen‐centered radicals are summarized. The special emphasis is devoted to the influence of solvent, electrodes and electrolytes on the electrochemical step, since these crucial parameters regulate the process efficiency.
Jujam M., Rajak R., Dharavath S.
Advanced Functional Materials scimago Q1 wos Q1
2024-08-12 citations by CoLab: 3 Abstract  
AbstractThe quest for high‐performance energetic materials for defense and aerospace has intensified, focusing on balancing energy output and safety. This study presents the synthesis of 3D energetic metal‐organic frameworks (EMOFs) [Na3(DNT)(H2O)]n (Na‐MOF), [K2(DNT)2(H2O)]n (K‐MOF), and [Cs2(DNT)]n (Cs‐MOF) using 1,2,4‐dinitrimino triazole (DNT) through a hydrothermal process. The synthesized EMOFs are characterized using infrared spectroscopy, powder X‐ray diffraction, scanning electron microscopy (SEM), elemental analysis, and thermogravimetric analysis and differential scanning calorimetry, and structures confirmed via single‐crystal X‐ray diffraction, revealing 3D frameworks with crystal densities of 2.15, 2.16, and 2.86 g cm−3, respectively. Among them, Na‐MOF exhibits excellent detonation performance (VOD = 8900 m s−1, DP = 26.21 GPa), high thermal stability (Td = 369 °C), and insensitivity to impact and friction (IS = 40 J, FS = 360 N). K‐MOF displays balanced energetic and mechanical properties, while Cs‐MOF, though moderate in energetic performance, shows significant potential in pyrotechnic applications, producing a bright red flame. Intermolecular interactions are analyzed through Hirshfeld surface, 2D fingerprint, and SEM analyses, enhancing the understanding of particle size and morphology. Na‐MOF also demonstrates high iodine encapsulation capacity, positioning it as a potential replacement for traditional materials like RDX and heat‐resistant explosives such as HNS, with comparability to PYX.
Makhov M.N.
2024-08-01 citations by CoLab: 1 Abstract  
The possibilities of increasing the acceleration ability (AA) of energetic materials by creating compositions combining high explosives (HEs) with a positive and negative oxygen balance are analyzed. For the calculations, three relatively new compounds are selected as HE-oxidizers: 3,6-dinitro-1,4-bis(trinitromethyl)-1,4-dihydropyrazolo[4,3-c]pyrazole; 4,4′5,5′-tetranitro-2,2′-bis(trinitromethyl)-2Н,2′Н-3,3′-bipyrazole; and 2-dinitromethyl-5-nitrotetrazole. HMX and CL-20 perform the function of HE-fuel. From the calculations it follows that the AA of HMX increases markedly with the addition of the mentioned oxidizers, and the introduction of oxidizers in the composition with CL-20 leads to a slight increase in AA.
Zhang R., Xu Y., Yang F., Wang P., Lin Q., Huang H., Lu M.
Defence Technology scimago Q1 wos Q1 Open Access
2024-08-01 citations by CoLab: 9 Abstract  
Heat-resistant energetic materials refer to a type of energetic materials that possess a high melting point, high stability and operational safety. By studying the structures of these energetic materials has showed that the thermal stability can be enhanced by introducing amino groups to form intra/inter-molecular hydrogen bonds, constructing conjugate systems and designing symmetrical structures. This article aims to review the physical and chemical properties of ultra-high temperature heat-resistant energetic compounds and provide valuable theoretical insights for the preparation of ultra-high temperature heat-resistant energetic materials. We also analyze the selected 20 heat-resistant energetic materials with decomposition temperatures higher than 350 °C, serving as templates for the synthesis of various high-performance heat-resistant energetic materials.
Ma L., Xu L., Yuan L., Yang X., Wu R., Bao S., Chen Y., Duan H., Fang L., Zhao H., Zhan Z.
Journal of Medicinal Chemistry scimago Q1 wos Q1
2024-07-24 citations by CoLab: 7
Koller T., Endraß S.M., Rösch M., Witthaut K., Klapötke T.M., Schnick W.
2024-06-24 citations by CoLab: 7 Abstract  
AbstractAmmeline is a simple, readily available, molecular compound, which has been known for nearly 200 years. Despite that, no proper structural characterization of ammeline has been conducted so far. For this reason, the prevalent tautomeric form of ammeline in the solid remained unknown to this date. In the course of this study, its crystal structure was finally established by single‐crystal X‐ray diffraction. In this structure, ammeline is exclusively found as its 4,6‐diamino‐1,3,5‐triazin‐2(1H)‐one tautomer and adopts layered structure with an exceptionally high hydrogen bond density. Ammeline shows an interesting amphoteric behavior. Therefore, the synthesis and structural characterization of some of its salts were carried out to investigate the influence of the protonation degree on its molecular structure. In particular, the crystal structure of silver ammelinate monohydrate was solved as the first reported structure containing deprotonated ammeline. Moreover, the crystal structures of three different modifications of ammelinium perchlorate were elucidated and the transformation conditions between them were studied. Lastly, the crystal structure of ammelinediium diperchlorate monohydrate, containing unprecedented doubly protonated ammeline, was determined. The products’ thermal behavior was studied by differential thermal analysis and thermogravimetric analysis. The perchlorate salts were additionally examined for their potential as insensitive high‐energy‐density materials.
Zeng Z., Chen C., Xu X., Liu Y., Huang W., Tang Y.
Journal of Organic Chemistry scimago Q2 wos Q1
2024-06-14 citations by CoLab: 4
Xu Y., Ding L., Li D., Xu Z., Wang P., Lin Q., Lu M.
2024-06-10 citations by CoLab: 6 Abstract  
A library of energetic materials synthesized from 3-amino-4-cyanofurazan has been disclosed, in which compound 7 is a unique example of an energetic compound with fluorescence, which opens the door for many new applications.
Bardina E.E., Matnurov E.M., Bakaev I.V., Rakhmanova M.I., Davydova M.P., Artem’ev A.V., Babak M.V., Gushchin A.L.
New Journal of Chemistry scimago Q2 wos Q2
2024-06-06 citations by CoLab: 3 Abstract  
Novel luminescent and anticancer dinuclear Au(i) complexes with bisphosphine ligands have been synthesized and studied.
Dmitrienko A.A., Kroitor A.P., Bunin D.A., Arakcheev A.V., Martynov A.G., Selektor S.L., Tsivadze A.Y., Gorbunova Y.G.
2024-06-02 citations by CoLab: 1
See full statistics
Total publications
131
Total citations
2521
Citations per publication
19.24
Average publications per year
7.71
Average coauthors
4.47
Publications years
2009-2025 (17 years)
h-index
28
i10-index
71
m-index
1.65
o-index
61
g-index
44
w-index
7
Metrics description

Fields of science

10
20
30
40
50
Organic Chemistry, 50, 38.17%
General Chemistry, 49, 37.4%
Physical and Theoretical Chemistry, 20, 15.27%
Drug Discovery, 16, 12.21%
Biochemistry, 14, 10.69%
Catalysis, 10, 7.63%
General Chemical Engineering, 9, 6.87%
Analytical Chemistry, 9, 6.87%
Molecular Medicine, 7, 5.34%
Inorganic Chemistry, 6, 4.58%
Industrial and Manufacturing Engineering, 6, 4.58%
Environmental Chemistry, 6, 4.58%
Pharmaceutical Science, 5, 3.82%
Chemistry (miscellaneous), 5, 3.82%
Materials Chemistry, 4, 3.05%
Spectroscopy, 4, 3.05%
Condensed Matter Physics, 4, 3.05%
General Medicine, 3, 2.29%
General Materials Science, 3, 2.29%
Chemical Engineering (miscellaneous), 3, 2.29%
Computer Science Applications, 2, 1.53%
Molecular Biology, 2, 1.53%
Pharmacology, 2, 1.53%
General Physics and Astronomy, 2, 1.53%
Materials Science (miscellaneous), 2, 1.53%
Electronic, Optical and Magnetic Materials, 1, 0.76%
Cancer Research, 1, 0.76%
Oncology, 1, 0.76%
Electrochemistry, 1, 0.76%
Atomic and Molecular Physics, and Optics, 1, 0.76%
Electrical and Electronic Engineering, 1, 0.76%
General Energy, 1, 0.76%
Energy Engineering and Power Technology, 1, 0.76%
Pollution, 1, 0.76%
General Pharmacology, Toxicology and Pharmaceutics, 1, 0.76%
Renewable Energy, Sustainability and the Environment, 1, 0.76%
General Environmental Science, 1, 0.76%
General Earth and Planetary Sciences, 1, 0.76%
Show all (8 more)
10
20
30
40
50

Journals

2
4
6
8
10
12
14
16
Show all (22 more)
2
4
6
8
10
12
14
16

Citing journals

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250
Journal not defined, 43, 1.68%
Show all (70 more)
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250

Publishers

5
10
15
20
25
5
10
15
20
25

Organizations from articles

20
40
60
80
100
120
Organization not defined, 12, 9.16%
Show all (16 more)
20
40
60
80
100
120

Countries from articles

20
40
60
80
100
120
140
Russia, 121, 92.37%
Country not defined, 13, 9.92%
China, 6, 4.58%
Ukraine, 1, 0.76%
Israel, 1, 0.76%
20
40
60
80
100
120
140

Citing organizations

50
100
150
200
250
300
350
Organization not defined, 209, 8.29%
Show all (70 more)
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250
300
350

Citing countries

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100
150
200
250
300
350
400
450
500
Russia, 469, 18.6%
China, 297, 11.78%
Country not defined, 170, 6.74%
India, 81, 3.21%
USA, 78, 3.09%
Germany, 43, 1.71%
Saudi Arabia, 23, 0.91%
Japan, 20, 0.79%
Egypt, 19, 0.75%
Poland, 19, 0.75%
Iran, 17, 0.67%
Italy, 17, 0.67%
Republic of Korea, 15, 0.6%
France, 14, 0.56%
Brazil, 14, 0.56%
United Kingdom, 14, 0.56%
Australia, 9, 0.36%
Czech Republic, 9, 0.36%
Algeria, 8, 0.32%
Spain, 8, 0.32%
Iraq, 7, 0.28%
Ukraine, 6, 0.24%
Lithuania, 6, 0.24%
Pakistan, 6, 0.24%
Singapore, 6, 0.24%
Switzerland, 6, 0.24%
Israel, 5, 0.2%
Belgium, 4, 0.16%
Canada, 4, 0.16%
Uruguay, 4, 0.16%
South Africa, 4, 0.16%
Kazakhstan, 3, 0.12%
Greece, 3, 0.12%
Malaysia, 3, 0.12%
Mexico, 3, 0.12%
UAE, 3, 0.12%
Turkey, 3, 0.12%
Chile, 3, 0.12%
Austria, 2, 0.08%
Armenia, 2, 0.08%
Venezuela, 2, 0.08%
Latvia, 2, 0.08%
Romania, 2, 0.08%
Slovenia, 2, 0.08%
Sweden, 2, 0.08%
Belarus, 1, 0.04%
Portugal, 1, 0.04%
Argentina, 1, 0.04%
Vietnam, 1, 0.04%
Denmark, 1, 0.04%
Indonesia, 1, 0.04%
Jordan, 1, 0.04%
Colombia, 1, 0.04%
Lebanon, 1, 0.04%
Morocco, 1, 0.04%
Nigeria, 1, 0.04%
New Zealand, 1, 0.04%
Oman, 1, 0.04%
Tunisia, 1, 0.04%
Uzbekistan, 1, 0.04%
Finland, 1, 0.04%
Show all (31 more)
50
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150
200
250
300
350
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500
  • We do not take into account publications without a DOI.
  • Statistics recalculated daily.
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