Article
Crystallography
Luis Alonso, Rodrigo Buron, Elena Lopez-Torres, Maria Antonia Mendiola
Summary: The new ligand HMeATSM derived from 2-3-butanedione with 4-methyl-3-thiosemicarbazide and 2,4-dimethyl-3-thiosemicarbazide has been synthesized and its reactivity with nickel(II) and zinc(II) nitrates has been explored. The structures of the resulting complexes were thoroughly characterized and it was found that nickel(II) prefers a square-planar environment while zinc(II) prefers a distorted square-base pyramid or trigonal bipyramid arrangement.
Article
Chemistry, Multidisciplinary
Yongjin Zhao, Toyotaka Nakae, Satoshi Takeya, Mineyuki Hattori, Daisuke Saito, Masako Kato, Yoshinori Ohmasa, Shun Sato, Osamu Yamamuro, Tomasz Galica, Eiji Nishibori, Shiori Kobayashi, Tomohiro Seki, Teppei Yamada, Yoshinori Yamanoi
Summary: A thermoresponsive structural change based on a disilane-bridged bis(pyridine) ligand and CuI is reported. Single-crystal X-ray analysis revealed two polymorphs in the Cu(I) complex: an octanuclear copper(I) complex at 20 degrees C and a 1D staircase copper(I) polymer complex at -173 degrees C. The formation of these polymorphs is attributed to the flexibility of the ligand. Cooling the sample from -10 degrees C to -170 degrees C resulted in Cu-I bond formation. DSC, VT-PXRD, and VT-photoluminescence measurements clarified the temperature-induced phase transition progression, indicating a reversible temperature-controlled crystal-to-crystal phase transition. Crystal cracking during single-crystal to single-crystal transitions between these polymorphic forms was observed using a high-speed camera.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Nithin Suryadevara, Asato Mizuno, Lea Spieker, Soma Salamon, Stephan Sleziona, Andre Maas, Erik Pollmann, Benoit Heinrich, Marika Schleberger, Heiko Wende, Senthil Kumar Kuppusamy, Mario Ruben
Summary: This study investigates the structural facets of bistable spin-crossover complexes and their role in inducing hysteresis. Through single-crystal X-ray diffraction studies, it is found that molecular reorganizations and conformation switching contribute to the observed spin-state switching and hysteresis. These insights could potentially aid in the design of molecule-based switching and memory elements.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Laura Kubens, Khai-Nghi Truong, Christian W. Lehmann, Dirk Luetzenkirchen-Hecht, Julia Bornhorst, Fabian Mohr
Summary: Maneb is a manganese(II)-containing fungicide widely used in many parts of the world, but its usage has been associated with neurotoxic effects resembling Parkinson's disease. The molecular structure of Maneb has long remained unknown due to its insolubility and paramagnetism. In this study, a reproducible synthesis procedure and various analytical techniques were utilized to reveal the molecular structure of Maneb in both solid and solution states.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Engineering, Environmental
Nikita V. Muravyev, Kyrill Yu. Suponitsky, Ivan V. Fedyanin, Igor V. Fomenkov, Alla N. Pivkina, Igor L. Dalinger
Summary: This article reports a novel high-energy material that can serve as an oxidizer and high-energy additive. The material has a high density and positive oxygen balance, which can improve the specific impulse of rockets. Additionally, it demonstrates detonation performance comparable to the most powerful explosive, CL-20. Eutectics with other compounds are proposed to enhance its processability.
CHEMICAL ENGINEERING JOURNAL
(2022)
Article
Biochemistry & Molecular Biology
Clodoaldo Valverde, Rafael S. Vinhal, Luiz F. N. Naves, Jean M. F. Custodio, Basilio Baseia, Heibbe Cristhian B. de Oliveira, Caridad N. Perez, Hamilton B. Napolitano, Francisco A. P. Osorio
Summary: A novel 4(1H) quinolinone derivative was synthesized and characterized, and its crystal intermolecular interactions, molecular global reactivity, and nonlinear optical properties were studied. The results indicate that this organic compound has great potential for various applications.
Article
Biochemistry & Molecular Biology
Yasunobu Asawa, Aleksandra V. Arsent'eva, Sergey A. Anufriev, Alexei A. Anisimov, Kyrill Yu. Suponitsky, Oleg A. Filippov, Hiroyuki Nakamura, Igor B. Sivaev
Summary: Bis(carboranyl)amides were synthesized and characterized, with one of the compounds having its crystal molecular structure determined by X-ray diffraction. Partial deboronation of the compounds upon reaction with ammonium or cesium fluoride, as well as unsuccessful attempted synthesis of a gadolinium metallacarborane, were also investigated. The stability of different conformations of Gd-containing metallacarboranes was estimated using quantum-chemical calculations, providing insights for the design of carborane ligands for synthesis purposes.
Article
Chemistry, Analytical
Tatiana Shishkanova, Alla Sinica
Summary: A cobalt bis(dicarbollide) derivative deposited onto the surface of a graphite electrode through an electrochemically oxidized o-phenylenediamine unit (pCB-oPD) is proposed for the detection of catecholamine metabolites, namely homovanillic acid (HVA) and vanillylmandelic acid (VMA). The set of electrochemical techniques makes it possible to evaluate the options of the individual and simultaneous detection of metabolites.
JOURNAL OF ELECTROANALYTICAL CHEMISTRY
(2022)
Article
Biochemistry & Molecular Biology
Ekaterina Bogdanova, Marina Yu Stogniy, Kyrill Yu Suponitsky, Igor B. Sivaev, Vladimir Bregadze
Summary: A series of novel cobalt bis(dicarbollide) based amidines were synthesized by adding primary and secondary amines to a specific compound, leading to different isomer mixtures when reacting with primary vs. secondary amines. Crystal structures of these compounds were determined by X-ray diffraction.
Article
Chemistry, Inorganic & Nuclear
Neetu Dhanda, Sonam Kumari, Rakesh Kumar, Dinesh Kumar, An-Cheng Aidan Sun, Preeti Thakur, Atul Thakur
Summary: Nickel-substituted cobalt ferrite nanoparticles were synthesized and characterized. The nanoparticles exhibited a cubic spinel ferrite structure and their magnetic properties were determined. With the increase in nickel doping concentration, the crystallite size and lattice parameters decreased, and the saturation magnetization, remanence magnetization, and coercivity of the nanoparticles decreased as well. These findings suggest that the prepared nanoparticles can be used for data storage device applications.
INORGANIC CHEMISTRY COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
A. N. Kulakova, A. N. Bilyachenko, A. A. Korlyukov, M. M. Levitsky, J. Long, Y. Guari, J. Larionova
Summary: The compound obtained through the spontaneous fixation of atmospheric CO2 and its conversion into carbonate bridging ligands exhibits an unusual square-planar geometry and shows a slow relaxation of the magnetization caused by spin-glass behavior.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Shuo Feng, Rajesh Kumar Singh, Yucheng Fu, Zhuo Li, Yulong Wang, Jie Bao, Zhijie Xu, Guosheng Li, Cassidy Anderson, Lili Shi, Yuehe Lin, Peter G. Khalifah, Wei Wang, Jun Liu, Jie Xiao, Dongping Lu
Summary: In this study, a simple strategy was demonstrated for constructing low-tortuosity through-pores in both vertical and planar directions of electrodes by casting large particles into single-particle-layer electrodes. Through multi-scale characterizations and simulations, correlations between material/electrode structures, electrolyte permeability, polysulfide migration, and sulfur reactions were elucidated. The high-loading and dense sulfur cathode fabricated by this method delivers a high specific capacity at a very low electrolyte/sulfur ratio.
ENERGY & ENVIRONMENTAL SCIENCE
(2022)
Article
Multidisciplinary Sciences
Joanna Drzezdzon, Celina Mokwa, Artur Sikorski, Patrycja Parnicka, Adriana Zaleska-Medynska, Jacek Malinowski, Magdalena Kwiatkowska, Barbara Gawdzik, Dagmara Jacewicz
Summary: Nowadays, there are studies on the design and synthesis of new catalysts for olefin oligomerization and polymerization, with non-toxic metals and high catalytic activities. Transition metal complex compounds, such as Fe(II), Cr(III), and Zr(II), that contain pyridine or quinoline ligands have been found to exhibit moderate catalytic activity in ethylene and propylene polymerizations. In this study, a new cobalt(II) complex compound with bis(5-chloroquinolin-8-olato)-bis(pyridine) ligands was synthesized and tested for its catalytic activity in reactions of 2-chloro-2-propen-1-ol and norbornene oligomerizations. The results showed that the activated bis(5-chloroquinolin-8-olato)-bis(pyridine)-cobalt(II) catalyst can promote the formation of oligomers in nitrogen atmosphere, at atmospheric pressure, and at room temperature, demonstrating moderate catalytic activity in norbornene oligomerization and low catalytic activity in 2-chloro-2-propen-1-ol oligomerization.
SCIENTIFIC REPORTS
(2022)
Article
Biochemistry & Molecular Biology
Kazuhiro Hirano, Hideki Yamauchi, Naoya Nakahara, Kazuo Kinoshita, Maki Yamaguchi, Shigeru Takemori
Summary: This study showed that eccentric contractions induce strain-specific structural changes at the molecular level in rat plantaris muscle. Different frequencies of eccentric contraction stimulation resulted in various effects on the myofilament lattice and protein phosphorylation. Eccentric contractions were more efficient in phosphorylating signaling proteins compared to isometric contractions, and high-frequency stimulation caused a significant decrease in some protein reflection intensities.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Engineering, Environmental
Shuaiqi Wang, Yuangang Xu, Shuaijie Jiang, Feng Yang, Dongxue Li, Pengcheng Wang, Qiuhan Lin, Ming Lu
Summary: Two environmentally friendly organic oxidizers were successfully synthesized and exhibited high-energy density, good thermal stability, and detonation performance. They showed excellent specific impulse in composite propellants and are expected to have promising applications in scientific, space, and military projects.
CHEMICAL ENGINEERING JOURNAL
(2023)
Article
Biochemistry & Molecular Biology
Kyrill Yu. Suponitsky, Sergey A. A. Anufriev, Igor B. B. Sivaev
Summary: The crystal structures of two isomeric triiodo derivatives of ortho-carborane were determined, showing different bonding patterns of iodine atoms with the carborane cage. The existence of dihalogen bonds and halogen bonds were observed in the structures. Comparison with the brominated derivative revealed similarities and differences in the bonding interactions.
Review
Chemistry, Inorganic & Nuclear
Marina Yu. Stogniy, Sergey A. Anufriev, Igor B. Sivaev
Summary: This review summarizes data on the main types of charge-compensated nido-carborane derivatives, which have increased stability compared to organic analogs. The stability is attributed to the stabilizing electron-donor action of the boron cage. The charge-compensated derivatives are discussed based on the type of heteroatom bonded to a boron atom.
Article
Chemistry, Inorganic & Nuclear
Igor B. Sivaev, Sergey A. Anufriev, Akim V. Shmalko
Summary: Based on the data of 1H NMR spectra, the effect of various substituents at boron atoms in different positions of the ortho-carborane cage on its CH-acidity and the electron-withdrawing effect upon substitution at the carbon atom is discussed. It is found that the introduction of chlorine atoms slightly reduces the CH-acidity, whereas the introduction of bromine and iodine atoms significantly increases the CH-acidity compared to the parent orthocarborane. The introduction of halogen atoms to the boron atoms bound to both carbon atoms leads to a significant increase in the CH-acidity, regardless of halogen electronegativity. However, in the case of polychlorinated derivatives of ortho-carborane, the total effect of the substituent covers the decrease in CH-acidity when the first halogen atoms are introduced into specific positions. The introduction of alkyl substituents reduces the CH-acidity, while the introduction of aryl substituents has the opposite effect.
INORGANICA CHIMICA ACTA
(2023)
Article
Chemistry, Inorganic & Nuclear
Dmitriy K. Semyonov, Georgii K. Slushko, Marina Yu. Stogniy, Sergey A. Anufriev, Ivan A. Godovikov, Kyrill Yu. Suponitsky, Vladimir I. Bregadze, Igor B. Sivaev
Summary: The reactions of nickel(II) phosphine complexes [(dppe)NiCl2], [(MePh2P)2NiCl2] and [(Ph3P)2NiCl2] with C-substituted nido-carboranes [7-R-nido-7,8-C2B9H11]- were investigated. Different reactions were observed depending on the specific combination of reactants. Overall, the findings highlight the impact of steric interactions on the formation of nickelacarboranes.
Article
Chemistry, Multidisciplinary
K. E. Erdelyi, A. A. Antonets, O. B. Zhidkova, A. A. Druzina, A. A. Nazarov, S. V. Timofeev, I. B. Sivaev, V. I. Bregadze
Summary: Boron-containing conjugates of cholesterol were synthesized via copper(I)-catalyzed 1,3-dipolar [3+2] cycloaddition reactions. The antiproliferative activity of the conjugates was evaluated against various human cell lines, showing low toxicity and potential for cancer treatment.
RUSSIAN CHEMICAL BULLETIN
(2023)
Article
Chemistry, Inorganic & Nuclear
Dmitriy K. Semyonov, Marina Yu. Stogniy, Kyrill Yu. Suponitsky, Igor B. Sivaev
Summary: New carboranyl thioethers were synthesized using the alkylation of the trimethylammonium salt of 1-mercapto-ortho-carborane with 1-bromo-2-methoxyethane and 1-bromo-3-methoxypropane. The deboronation of these thioethers with cesium fluoride yielded the corresponding nido-carboranes. The reactions of the nido-carboranes with various nickel(II) phosphine complexes resulted in the synthesis of nickelacarboranes.
Review
Chemistry, Multidisciplinary
Igor B. B. Sivaev
Summary: This review aims to compile the literature data on the synthesis and properties of icosahedral carborane derivatives, specifically focusing on the attachment of exo-polyhedral three- and four-coordinated boron substituents directly to the carborane cage through boron-carbon or boron-boron bonds. Various classes of compounds including carboranyl aryl boranes, boronic acids and their derivatives, boroles, diazaboroles, etc., are discussed. The review particularly highlights carborane-fused heterocycles containing boron atoms.
CHEMISTRY-SWITZERLAND
(2023)
Article
Chemistry, Inorganic & Nuclear
Varvara V. Avdeeva, Alexey S. Kubasov, Alexey V. Golubev, Sergey A. Anufriev, Igor B. Sivaev, Svetlana E. Nikiforova, Lyudmila V. Goeva, Elena A. Malinina, Nikolay T. Kuznetsov
Summary: Reactions of [B11H11]2- with copper(I) and silver(I) complexes [(Ph3P)3MX] (M = Cu, X = Cl; M = Ag, X = NO3) led to the formation of metallaboranes (Bu4N)3[commo-M(B11H11)2] instead of M-H-B complexes. The crystal structure of (Bu4N)3[Ag(B11H11)2] was determined using single-crystal X-ray diffraction. Hirschfeld surface analysis and DFT calculations were conducted for both metallaboranes [M (B11H11)2]3- (M = Cu, Ag).
INORGANICA CHIMICA ACTA
(2023)
Article
Biochemistry & Molecular Biology
Dmitriy K. Semyonov, Marina Yu. Stogniy, Sergey A. Anufriev, Sergey V. Timofeev, Kyrill Yu. Suponitsky, Igor B. Sivaev
Summary: A series of C- and B-substituted nido-carborane derivatives with a pendant pyridyl group were synthesized and used as ligands for the complexation reactions with nickel(II) and palladium(II) chlorides, forming six new metallacomplexes. The structures of these complexes were determined using single crystal X-ray diffraction.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Medicine, Research & Experimental
Satoshi Okada, Kai Nishimura, Qarri Ainaya, Kouichi Shiraishi, Sergey A. Anufriev, Igor B. Sivaev, Yoshinori Sakurai, Minoru Suzuki, Masayuki Yokoyama, Hiroyuki Nakamura
Summary: In this study, a gadolinium-boron-conjugated albumin (Gd-MID-BSA) was developed for MRI-guided neutron capture therapy. The accumulation of Gd-MID-BSA in tumors was confirmed by MRI and biodistribution analysis. The concentration ratios of boron and gadolinium in tumors satisfied the requirements for boron neutron capture therapy (BNCT) and gadolinium neutron capture therapy (GdNCT). The conjugation of gadolinium and boron in the albumin molecule enhanced the therapeutic effect of BNCT and showed potential as a promising treatment for malignant tumors.
MOLECULAR PHARMACEUTICS
(2023)
Article
Biochemistry & Molecular Biology
Anna A. Druzina, Nadezhda V. Dudarova, Ivan V. Ananyev, Anastasia A. Antonets, Dmitry N. Kaluzhny, Alexey A. Nazarov, Igor B. Sivaev, Vladimir I. Bregadze
Summary: The synthesis of the first conjugates of acridine with cobalt bis(dicarbollide) was reported. A novel 9-azido derivative of acridine was prepared and its solid-state molecular structure was determined. The obtained conjugates showed weak binding with DNA, but demonstrated potential for the development of new agents for boron neutron capture therapy (BNCT).
Article
Chemistry, Inorganic & Nuclear
A. M. Zimina, T. V. Kolpakova, S. A. Anufriev, E. I. Zueva, N. V. Somov, I. B. Sivaev, I. D. Grishin
Summary: The reaction of 9-iodo-ortho-carborane with n-butylmagnesium bromide produces 9-n-butyl-ortho-carborane. Further reaction of this compound with alkali in boiling ethanol yields a new nido-carborane [5-Bu-7,8-C2B9H11](-) (I) with a n-butyl substituent. Subsequent reaction of compound I with RuCl2(PPh3)(Ph2P(CH2)(4)PPh2) leads to the formation of a ruthenium(IV) closo complex 3,3-(Ph2P(CH2)(4)PPh2)-3-H-3-Cl-9-Bu-closo-3,1,2-RuC2B9H10 (II) characterized by 2D NMR spectroscopy. Heating compound II with carbon tetrachloride results in the formation of the 17-electron complex 3,3-(Ph2P(CH2)(4)PPh2)-3-Cl-9-Bu-closo-3,1,2-RuC2B9H10, and the structure of this complex is determined using X-ray diffraction.
RUSSIAN JOURNAL OF COORDINATION CHEMISTRY
(2023)
Review
Chemistry, Inorganic & Nuclear
Yu. N. Las'kova, A. A. Serdyukov, I. B. Sivaev
Summary: This article summarizes the synthesis methods, properties, and application fields of various boron-containing coumarin derivatives, with particular emphasis on derivatives with various polyhedral boron clusters as substituents, such as carboranes, metallacarboranes, and the closo-dodecaborate anion. Derivatives of coumarin with simple organoboron compounds, boronic acids and their esters, are also considered.
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY
(2023)
Review
Chemistry, Physical
Varvara V. Avdeeva, Svetlana E. Nikiforova, Elena A. Malinina, Igor B. Sivaev, Nikolay T. Kuznetsov
Summary: In this article, composites and materials prepared from boron hydride cluster compounds are presented. The utilization of these materials as boron protective coatings, as well as their applications in synthesizing boron carbide, boron nitride, metal borides, metal-containing composites, and neutron shielding materials, are discussed.