Article
Chemistry, Inorganic & Nuclear
Krzysztof Fink, Jakub Cebula, Zdenek Tosner, Mateusz Psurski, Mariusz Uchman, Tomasz M. Goszczynski
Summary: Cobalt bis(dicarbollide) (COSAN) is a versatile metallacarborane used in drug development. This study comprehensively characterized the interactions between COSAN and DNA, finding that COSAN has no significant effect on DNA structure and can induce cytotoxicity even without DNA presence. These findings confirm the safety and biocompatibility of metallacarboranes and provide new opportunities for drug development.
DALTON TRANSACTIONS
(2023)
Article
Biochemistry & Molecular Biology
Krzysztof Smialkowski, Carla Sardo, Zbigniew J. J. Lesnikowski
Summary: The exploitation of metallacarboranes' potential in various fields requires convenient and versatile methods for their functionalization. This study reports the functionalization of cobalt bis(1,2-dicarbollide) at 8,8 '-boron atoms with different heterobifunctional moieties. It also describes an approach to the synthesis of three and four functionalized metallacarboranes simultaneously at boron and carbon atoms.
Review
Biochemistry & Molecular Biology
Lucia Pazderova, Ece Zeynep Tuzun, Dmytro Bavol, Miroslava Litecka, Lukas Fojt, Bohumir Gruner
Summary: The cobalt bis(dicarbollide)(1(-)) anion plays a significant role in material science and medicine due to its unique properties and the availability of synthetic routes for easy modifications. The modification of the dicarbollide cage has been well-established for boron atom substitutions, but there has been limited progress on carbon vertex modifications. Recent developments in metalation reactions on C-H vertices have enabled direct and straightforward cage modifications, leading to new trends in the field. This review provides an overview of these methods and their applications in designing unconventional drugs.
Article
Chemistry, Multidisciplinary
Isabel Guerrero, Clara Vinas, Isabel Romero, Francesc Teixidor
Summary: The cobalt bis(dicarbollide) complex Na[3,3'-Co(eta(5)-1,2-C2B9H11) (Na[1]) is an effective photoredox catalyst for the oxidation of alkenes to epoxides in water, exhibiting high efficiency and selectivity compared to other photosensitizers. By adjusting the catalyst loading, different product selectivity and conversion rates can be achieved in the reaction.
Article
Crystallography
Denis M. Chudak, Olga N. Kazheva, Irina D. Kosenko, Gennady Shilov, Igor B. Sivaev, Georgy G. Abashev, Elena Shklyaeva, Lev Buravov, Dmitry N. Pevtsov, Tatiana N. Starodub, Vladimir Bregadze, Oleg A. Dyachenko
Summary: New radical-cation salts based on TMTTF and TMsTSF with different metallacarborane anions were synthesized, with the third salt being a narrow-gap semiconductor.
Article
Chemistry, Inorganic & Nuclear
Ines Bennour, M. Nuria Ramos, Miquel Nuez-Martinez, Jewel Ann Maria Xavier, Ana B. Buades, Reijo Sillanpaa, Francesc Teixidor, Duane Choquesillo-Lazarte, Isabel Romero, Margarita Martinez-Medina, Clara Vinas
Summary: In this study, the synthesis and characterization of two small molecules were reported. One of the compounds showed antimicrobial activity against Candida species and Gram-positive/negative bacteria with low toxicity, making it a potential candidate for antimicrobial therapy. Moreover, the influence of compound structure and environmental factors on antimicrobial properties was investigated.
DALTON TRANSACTIONS
(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, Multidisciplinary
Rebekah J. Jeans, Georgina M. Rosair, Alan J. Welch
Summary: This study presents the first example of controlled isomerization of a C,C'-bound bis(ortho-carborane) ligand to a C,B'-bound form without altering the rest of the molecule's structure. The different electron-donating properties of the C and B vertices in carboranes allow for fine-tuning the reactivity of the metal center.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Inorganic & Nuclear
Adnana Zaulet, Miquel Nuez, Reijo Sillanpaa, Francesc Teixidor, Clara Vinas
Summary: This work isolates the cobaltabis(dicarbollide) salts of biocompatible divalent cations of biological importance for potential applications in biology and materials science. The study reports the preparation of Ca2+, Mg2+ and Fe2+ salts with anionic iodinated nido-[C2B9H12](-) and cobaltabis(dicarbollide), with different coordination behaviors in solvents. The Ca2+ and Mg2+ salts form aqua ions in the presence of water, while Fe2+ and Fe3+ display different coordination behaviors in acetone.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2021)
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, Physical
Melia Lacaze, Nathalie Saffon-Merceron, Fabien Silly, Jacques Bonvoisin
Summary: Two new iodo derivatives of bis-salphen zinc complexes have been synthesized and characterized, with complex 1 also undergoing X-ray single crystal diffraction analysis. These compounds show great potential for generating 2D covalent organic nanoarchitecture.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Inorganic & Nuclear
Isabel Guerrero, Clara Vinas, Xavier Fontrodona, Isabel Romero, Francesc Teixidor
Summary: An original cooperative photoredox catalytic system has been synthesized, in which noncovalent interactions link the metallacarborane catalyst and the oxidation catalyst, improving catalytic efficiency and avoiding costly covalent bonding. Significant electronic coupling between the two catalysts was identified in electrochemical studies in water.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Inorganic & Nuclear
Alexander Serdyukov, Irina Kosenko, Anna Druzina, Mikhail Grin, Andrey F. Mironov, Vladimir Bregadze, Julia Laskova
Summary: A series of water-soluble conjugates of 7-diethylamino-4-hydroxycoumarin with four different anionic polyhedral boron clusters were synthesized and tested for their ability to pass through the cell membrane. The results showed two compounds with negative lipophilicity values, while conjugates of metallacarboranes containing Co and Fe were found to be suitable for medicinal applications.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Lyubov G. Dezhenkova, Anna A. Druzina, Yulia L. Volodina, Nadezhda Dudarova, Natalia A. Nekrasova, Olga B. Zhidkova, Mikhail A. Grin, Vladimir Bregadze
Summary: Novel cobalt bis(dicarbollide)-curcumin conjugates were synthesized and found to be non-cytotoxic against tumor and normal cells. Flow cytometry analysis showed that these conjugates entered the cells in a time-dependent manner.
Article
Chemistry, Multidisciplinary
Katarzyna Bednarska-Szczepaniak, Katarzyna Dziedzic-Kocurek, Ewelina Przelazly, Jan Stanek, Zbigniew J. Lesnikowski
Summary: Mossbauer spectroscopy of iron(III) bis(dicarbollide) and its adduct revealed low spin Fe-III in the former and surprisingly Fe-II in the latter. In the adduct, numerical simulations showed a gradient of electric charge, which may explain the Fe-II-like character observed.
CHEMICAL COMMUNICATIONS
(2022)
Article
Chemistry, Physical
Aleksei A. Anisimov, Ivan V. Ananyev
Summary: This paper discusses the (de)localization phenomenon in the positional coordinate space and its relation to the strength of bonding of a topological atom. The similarity between the bonding strength (determined by the population of the corresponding atomic surface) and the delocalization index is explored. A scalar one-particle field is proposed based on the hypervirial theorem to visualize the consequences of (de)localization for the formation of bonding.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
(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.
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, Multidisciplinary
Valentina A. Karnoukhova, Ivan V. Fedyanin, Ekaterina V. Dubasova, Aleksei A. Anisimov, Ivan V. Ananyev
Summary: Research suggests that the electronic virial-based correlation should be utilized for estimating bonding contributions to molecular vibrations in crystals.
MENDELEEV COMMUNICATIONS
(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
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
Chemistry, Physical
Aleksei A. Anisimov, Ivan V. Ananyev
Summary: This paper proposes a new approach for obtaining interacting quantum atoms-defined components of binding energy of intermolecular interactions. The approach bypasses the use of standard six-dimensional integrals and two-particle reduced density matrix (2-RDM) reconstruction. The feasibility of the approach is examined through calculations on three datasets, and the role of various energy contributions in the formation of non-covalent interactions is discussed.
JOURNAL OF CHEMICAL PHYSICS
(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, Multidisciplinary
A. A. Druzina, N. V. Dudarova, I. B. Sivaev, V. I. Bregadze
Summary: A new azidoethylaminoacridine compound was synthesized and boron-containing acridine conjugates were obtained through a specific reaction. These compounds have potential applications as DNA intercalators for boron neutron capture therapy.
RUSSIAN CHEMICAL BULLETIN
(2023)
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.
Article
Chemistry, Inorganic & Nuclear
Guojun Hu, Ziyue Deng, Yanwei Wang, Dan Yuan, Yong Zhang, Yingming Yao
Summary: A series of rare-earth metal complexes were synthesized and used as efficient initiators for the polymerization of trimethylene carbonate (TMC) and (L)-lactide ((L)-LA).
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Van Ha Nguyen, John H. K. Yip
Summary: In this study, eight PtII-azulene complexes were synthesized to investigate the effect of metalation on the electronic structures, spectroscopy, and luminescence of organic chromophores. The results showed that the attachment of Pt substituents to azulene affected the HOMOs, LUMOs, and luminescence properties. The study provides insights into the role of metalation in modifying the properties of organic chromophores.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Moon Kedia, Virender Singh, Bhaskaran Shankar, Malaichamy Sathiyendiran
Summary: This study synthesized two types of neutral binuclear metallocycles using a one-pot solvothermal method and characterized their structures. The analysis revealed that these complexes adopt a binuclear heteroleptic cyclic architecture and belong to phosphine oxide donor (P=O)-based supramolecular coordination cyclic complexes.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Radhey S. Srivastava
Summary: This study demonstrates the effectiveness of zero-valent elements as reductants for the deoxydehydration reaction of polyols catalyzed by ONO-pincer ligated molybdenum dioxo. The insolubility and easy separability of the reductants and their oxidized products during the reaction are emphasized. Additionally, the choice of ligand has an impact on the catalytic performance of the reaction.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Hao Zhou, Yajun Sun, Li Deng, Weiran Yang, Yuehui Li
Summary: Efficient Ru-catalyzed hydrogenation of aldehydes was achieved using carbazole-derived phosphine ligands, with the crucial role of N-H moiety in promoting the catalytic reaction. The method was successfully applied in the Co/Ru-catalyzed hydroformylation process, resulting in the production of long-chain alcohols with excellent yields.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Theodor Danescu, Alexandru Lupan, Radu Silaghi-Dumitrescu, R. Bruce King
Summary: The structures and energies of complexes containing (Me2C2N2P)2Ru2(CO)n and (Me2C2N2P)2Fe2(CO)n have been studied. Low-energy structures are characterized by the presence of bridging diazaphospholyl rings, while higher-energy structures involve different ligand structures.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Savannah C. Kapper, Aamani Ponnekanti, Jonas Schaab, Tian-yi Li, Christine L. Chung, Gael Ung, Peter I. Djurovich, Mark E. Thompson
Summary: Organometallic iridium complexes with two cyclometalated ligands and one bis-oxazoline derived ancillary ligand were studied. These complexes have emission spanning across the visible and near-ultraviolet region, with moderate to high photoluminescence quantum yields. The (ppy)2Ir(BOX-CN) complexes were resolved into Delta- and Lambda-diastereomers based on solubility differences.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Zahra Karimi Sangari, Hossein Naeimi
Summary: In this research, a nanostructured CoCuFe2O4 catalyst was prepared using a brief and useful synthetic strategy. This catalyst was used for synthesizing 1,2,4,5-tetrasubstituted imidazole derivatives under ultrasonic irradiation. The approach offers advantages such as high efficiency, short reaction times, simplicity of the reaction medium, accelerated reaction rates, and easier separation and purification of products.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Rukhsana Gul, Wajid Munir, Ebraheem Abdu Musad Saleh, Shaukat Shujah, Muhammad Sirajuddin, Saira Tabassum, Khalil Ur Rehman, Dilfaraz Khan, Sameerah I. Al-Saeedi, Ehab A. Abdelrahman
Summary: Two new Schiff base ligands were synthesized and used to form copper, nickel, and cobalt complexes. The synthesized compounds were characterized and screened for various biological activities. The metal complexes showed better activities in antibacterial, antifungal, antidiabetic, and antioxidant assays.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Review
Chemistry, Inorganic & Nuclear
Ahsan Nazir, Pengwei Huo, Ameena Tur Rasool
Summary: This review explores the potential of g-C3N4-based S-scheme heterojunctions in addressing environmental issues. It summarizes the mechanism and preparation techniques of S-scheme heterojunctions based on g-C3N4, and presents recent studies on their applications in pollutant removal, CO2 reduction, hydrogen production, and bacterial disinfection. The review concludes with an outlook on future challenges for g-C3N4-based S-scheme heterojunctions.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Francois Mazars, Koffi Senam Etse, Guillermo Zaragoza, Lionel Delaude
Summary: The activity of three Pd-PEPPSI catalyst precursors with N-heterocyclic carbene (NHC) ligands derived from caffeine and theophylline in Mizoroki-Heck reactions was tested. The results showed that the catalysts achieved high conversions and yields, especially in the presence of electron-withdrawing substituents.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)
Article
Chemistry, Inorganic & Nuclear
Bo-Han Wu, Xue Zhou, Lin Liu, Zheng-Bo Han
Summary: Researching carbon dioxide removal from flue gas and natural gas is crucial. Metal-organic frameworks (MOFs) are commonly used in adsorption due to their high surface area, porosity, and chemical properties. An ultra-microporous MOF CPM-20(Co) with mixed ligand was synthesized using inexpensive ligands. The material exhibited high selectivities and low regenerative energy, making it a promising option for CO2 separation in industries.
JOURNAL OF ORGANOMETALLIC CHEMISTRY
(2024)