Letter
Chemistry, Physical
Sebastian Hartweg, Majdi Hochlaf, Gustavo A. Garcia, Laurent Nahon
Summary: Studying the stability of hydrogen-bonded nucleobase pairs is crucial for understanding the mechanisms of life and biomolecular evolution. In this study, the ionization and dissociative ionization thresholds of the nucleobase pair adenine-thymine (AT) were investigated using VUV single photon ionization. The experimental data enabled the distinction of AT dissociation into protonated adenine and dehydrogenated thymine from dissociative ionization processes of other nucleobase clusters. The results were compared to ab initio calculations, indicating the presence of a single hydrogen-bonded conformer and providing an upper limit estimation for the proton transfer barrier in the ionized AT pair.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Physical
Sebastian Hartweg, Majdi Hochlaf, Gustavo A. Garcia, Laurent Nahon
Summary: Studying the stability of hydrogen-bonded nucleobase pairs is crucial for understanding the basic mechanisms of life and biomolecular evolution. In this study, the ionization and dissociative ionization thresholds of the nucleobase pair adenine-thymine (AT) were investigated using VUV single photon ionization dynamic study. Experimental data and high-level ab initio calculations revealed a single hydrogen-bonded conformer in the molecular beam, providing insights into proton transfer barrier in ionized AT pair.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Multidisciplinary
Diego Sorbelli, Leonardo Belpassi, Paola Belanzoni
Summary: A gold-aluminyl complex has been reported to have an unconventional gold nucleophilic center, with the reaction mechanism found to be cooperative. The Au-Al bond is primarily of an electron-sharing nature, with the metal fragments displaying a diradical-like reactivity with CO2.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Physical
Benjamin King, Max Winokan, Paul Stevenson, Jim Al-Khalili, Louie Slocombe, Marco Sacchi
Summary: The stability of the adenine-thymine tautomer (A*-T*) during DNA strand separation has been studied, and it has been found that A*-T* becomes more stable as the DNA strands unzip and the hydrogen bonds between the bases stretch. Molecular dynamics simulations have provided insights into the time scales, dynamics, and statistical distribution of opening angles during DNA strand separation in a biological environment. The unwinding of DNA facilitated by helicase is an inherently out-of-equilibrium process that alters the energy landscape of the adenine-thymine tautomerization reaction. This finding suggests that DNA strand separation allows the stable tautomerization of adenine-thymine, providing a feasible pathway for genetic point mutations via proton transfer between the A-T bases.
JOURNAL OF PHYSICAL CHEMISTRY B
(2023)
Article
Biochemistry & Molecular Biology
Johanna Klein, Paul Fleurat-Lessard, Julien Pilme
Summary: In this study, a new methodology was successfully applied to identify the favorable reaction pathway between two reactants, specifically the formation of the DNA guanine-cytosine pair. The best orientation between the base pairs and local stationary points of the targeted pair were accurately predicted.
Article
Chemistry, Physical
Younes Valadbeigi, Jean-Francois Gal
Summary: New organometallic superacids of sulfonic acid derivatives were designed based on enhancing acidity through internal bonding with an electron-pair acceptor group BX2 (X = H, F, Cl, Br). Two classes of superacids were devised, resulting in obtaining an organometallic hyperacid with relatively small size.
CHEMICAL PHYSICS LETTERS
(2021)
Article
Physics, Multidisciplinary
Yi-Ming Wu, P. A. Nosov, Aavishkar A. Patel, S. Raghu
Summary: We describe and solve models with robust PDW phases, finding that the requirements for long-range PDW order are nonmonotonic repulsive BCS couplings in space and their strength exceeding a threshold value.
PHYSICAL REVIEW LETTERS
(2023)
Article
Chemistry, Organic
Richard C. Knighton, Paul D. Beer
Summary: A novel method was used to construct a mechanically interlocked ion-pair binding [2]catenane, with the heteroditopic binding mode elucidated by single-crystal X-ray crystallography, revealing an unprecedented 'macrocycle separated' ion-pair configuration with alkali-metal sodium cation.
ORGANIC CHEMISTRY FRONTIERS
(2021)
Article
Chemistry, Multidisciplinary
Fasih Bintang Ilhami, Ai Chung, Yihalem Abebe Alemayehu, Ai-Wei Lee, Jem-Kun Chen, Juin-Yih Lai, Chih-Chia Cheng
Summary: A significant breakthrough was reported in the development of complementary hydrogen-bonded drug-carrier systems, where self-assembled nanoparticles with desirable functionalities were constructed through stable complementary uracil-adenine interactions. The adenine-functionalized rhodamine derivative A-R6G showed unique physical properties and selective cytotoxicity against cancer cells when loaded into nanoparticles and delivered via an endocytic pathway. These findings suggest that the complementary drug-carrier system has potential for targeted cancer chemotherapy with high therapeutic efficacy and safety.
MATERIALS CHEMISTRY FRONTIERS
(2021)
Review
Chemistry, Inorganic & Nuclear
Andrew R. Jupp
Summary: Frustrated Lewis Pairs (FLPs), combinations of bulky Lewis acids and bases, have the ability to activate and catalyze small molecules. The formation of an encounter complex, where the acid and base are pre-associated, is supported by various experimental techniques. These studies provide a foundation for the exciting transformations that can be promoted by FLPs.
DALTON TRANSACTIONS
(2022)
Article
Pharmacology & Pharmacy
Fasih Bintang Ilhami, Enyew Alemayehu Bayle, Chih-Chia Cheng
Summary: The cooperative A-U base pairing within A-R6G/BU-PEG nanogels significantly improves selective drug uptake by cancer cells and effectively promotes apoptotic programmed cell death, making it a promising smart drug delivery system for cancer chemotherapy.
Article
Chemistry, Multidisciplinary
Avijit Kumar, Kaustuv Banerjee, Mikko M. Ervasti, Shawulienu Kezilebieke, Marc Dvorak, Patrick Rinke, Ari Harju, Peter Liljeroth
Summary: The study investigates the formation of a charge-transfer complex of TTF and F(4)TCNQ on the surface of oxygen-intercalated epitaxial graphene on Ir(111), confirming its presence and revealing a correlated ground state. The results suggest the possibility to study correlated ground states in charge-transfer complex monolayers on weakly interacting surfaces.
Article
Optics
Biswanath Mukherjee
Summary: The study synthesized an organometallic charge transfer complex, Ag-TCNQ, which showed excellent photoresponse characteristics under white light illumination and stable opto-mechanical properties.
Article
Chemistry, Physical
Hamid Reza Masoodi, Sotoodeh Bagheri, Alireza Gholipour, Masoud Rohani Moghadam, Alireza Bazmandegan-Shamili
Summary: The stability and electronic properties of a dinucleobase molecule comprising an acetylene central block substituted at both edges with guanine and cytosine nucleobases are investigated theoretically. The influence of aprotic solvents, such as toluene and acetone, on the stability and electronic properties of this molecule is also explored. The results reveal that the stability of the molecule decreases with an increase in the dielectric constant of the solvent.
Article
Chemistry, Multidisciplinary
Vihanga K. Munasinghe, Jessica Pancholi, Dilhan Manawadu, Zongyao Zhang, Paul D. Beer
Summary: This study investigated the ability of a family of novel halogen bonding and hydrogen bonding heteroditopic rotaxane host systems to recognize lithium halide ion-pairs. The results showed that the rotaxane hosts exhibited selectivity for LiBr over LiI, and the strength of halide binding increased with the number of halogen bond donors integrated into the interlocked cavity. DFT calculations confirmed these findings, revealing the mode of LiX ion-pair binding. The cooperative, heteroditopic, rotaxane axle-macrocycle component mechanical bond effect was identified as an efficient strategy for ion-pair recognition in general.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Organic
Hideo Enozawa, Shusaku Ukai, Hiroshi Ito, Tsuyoshi Murata, Yasushi Morita
Article
Chemistry, Multidisciplinary
Tsuyoshi Murata, Masaaki Yokoyama, Akira Ueda, Yuki Kanzaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Yasushi Morita
Article
Biochemistry & Molecular Biology
Tsuyoshi Murata, Taro Koide, Hirofumi Nobukuni, Ryotaro Tsuji, Yasushi Morita
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2020)
Article
Chemistry, Multidisciplinary
Hiroshi Ito, Tsuyoshi Murata, Megumi Fujisaki, Ryotaro Tsuji, Yasushi Morita
Summary: Organic rechargeable batteries have attracted attention due to high performance and absence of rare metals. Coin-type buckypaper cells, composed of a trioxotriangulene derivative and carbon nanotubes cathode, showed stable charge-discharge behavior with high capacity and energy density, suggesting a new strategy for flexible cells in next-generation energy storage.
Article
Chemistry, Organic
Tsuyoshi Murata, Yosuke Yamamoto, Akira Ueda, Tomoaki Ise, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Yasushi Morita
Summary: The study found that methoxy groups in TOT molecules have minimal effects on electronic spin and redox properties, while converting methoxy groups to hydroxy groups dramatically alters the electronic structure and affects the redox potential. The hydroxy derivative exhibits a more planar molecular structure and stronger pi-stacking ability compared to the methoxy group.
JOURNAL OF ORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Tsuyoshi Murata, Shogo Matsui, Gunzi Saito
Summary: A new TTF electron-donor molecule was synthesized by fusing with a 2-oxo-4-amino-pyrimido (cytosine) ring, which significantly enhanced its electron-donating ability. The neutral betainic radical exhibited high conductivity and formed a new self-assembling structure in the crystal composition, making it a potential organic material.
MOLECULAR CRYSTALS AND LIQUID CRYSTALS
(2021)
Article
Chemistry, Multidisciplinary
Tsuyoshi Murata, Noriaki Asakura, Ryotaro Tsuji, Yuki Kanzaki, Kazunobu Sato, Takeji Takui, Yasushi Morita
Summary: A new stable organic compound was synthesized, and porous organosiloxanes were prepared through the condensation of silyl groups. The compound exhibited unique characteristics in both solution and solid states. Additionally, the organosiloxanes demonstrated reversible redox ability.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Organic
Tsuyoshi Murata, Kenta Yoshida, Shuichi Suzuki, Akira Ueda, Shinsuke Nishida, Junya Kawai, Kozo Fukui, Kazuhiro Nakasuji, Yasushi Morita
Summary: Tri-tert-butylated 4,7-dihydroxyphenalenone derivative was synthesized from a corresponding 4,9-dimethoxyphenalenone derivative through regioselective deoxygenation/oxygenation. The derivative exhibited chromic behavior accompanied by protonation and deprotonation, resulting in monocation and dianion species, respectively. The C-3 symmetric electronic structures of these species were elucidated using experimental and theoretical methods.
Article
Chemistry, Physical
Tsuyoshi Murata, Shinji Nakanishi, Hideki Nakayama, Hiroshi Ito, Miwa Morita, Ryotaro Tsuji, Yasushi Morita
Summary: This paper presents rechargeable batteries with a cathode of 100% organic active material using highly conductive vapor-deposited films of 4,8,12-trioxotriangulene (TOT) neutral radical. These cathodes contained neither a binder nor a conductive additive and showed high capacities close to the theoretical value of the active material. The face-on films had better rate and cycle characteristics due to their anisotropic conductivities.
ACS APPLIED ENERGY MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Tsuyoshi Murata, Kenta Yoshida, Shuichi Suzuki, Akira Ueda, Shinsuke Nishida, Junya Kawai, Kozo Fukui, Kazunobu Sato, Takeji Takui, Kazuhiro Nakasuji, Yasushi Morita
Summary: A novel neutral diradical and its corresponding dimers were investigated. The diradical was found to be in a triplet ground state with doubly degenerate singly occupied molecular orbitals. Upon preparation, the diradical underwent sigma-dimer formation, resulting in two types of dimers. One dimer existed only in the crystalline state, while the other dimer was observed only in solution. Temperature-dependent spectroscopic measurements revealed that these dimers were in equilibrium in solution, with the reversible formation/cleavage of sigma-bonds mediated by the neutral diradical.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Biophysics
Toshihiko Sugiki, Akihiro Ito, Yuko Hatanaka, Masaki Tsukamoto, Tsuyoshi Murata, Koichiro Miyanishi, Akinori Kagawa, Toshimichi Fujiwara, Masahiro Kitagawa, Yasushi Morita, Makoto Negoro
Summary: In this study, the direct, sensitive, and real-time observation of HGPRT-catalyzed conversion of favipiravir to favipiravir-RMP was demonstrated using F-19-NMR and P-31-NMR techniques. This method is not only essential for understanding the pharmacokinetics of favipiravir but also applicable for enzyme assays and screening of new prodrugs.
NMR IN BIOMEDICINE
(2023)
Article
Chemistry, Multidisciplinary
Shohei Kitano, Ichiro Tanabe, Nobutaka Shioya, Takeshi Hasegawa, Tsuyoshi Murata, Yasushi Morita, Ryotaro Tsuji, Ken-ichi Fukui
Summary: Voltammetric and in situ infrared (IR) spectroelectrochemical studies were conducted to investigate the electrochemical dynamics of a stable trioxotriangulene (TOT) organic neutral pi- radical on a graphite electrode surface. The formation and dissolution of upright columnar crystals (face-on alignment) of TOT neutral radical were observed in a low concentration electrolyte, while more flat-lying columnar crystals (edge-on alignment) were formed in a higher concentration electrolyte. In situ IR attenuated total reflectance spectroscopy analyses characterized the crystal alignment and electrochemical behaviors of TOT neutral radicals, shedding light on the irreversible redox reaction of TOT on the graphite electrode.
Article
Chemistry, Physical
K. Miyanishi, T. Sugiki, T. Matsui, R. Ozawa, Y. Hatanaka, H. Enozawa, Y. Nakamura, T. Murata, A. Kagawa, Y. Morita, T. Fujiwara, M. Kitagawa, M. Negoro
Summary: The sensitivity of solution-state C-13 NMR for studying intermolecular interactions in a biomolecular system was improved by using hyperpolarized solution samples at room temperature. Eutectic crystals composed of C-13-salicylic acid and benzoic acid doped with pentacene were hyperpolarized using dynamic nuclear polarization. The binding of human serum albumin and C-13-salicylate was observed with significantly enhanced sensitivity under mild conditions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2023)
Article
Chemistry, Organic
Tsuyoshi Murata, Kazuki Kariyazono, Shusaku Ukai, Akira Ueda, Yuki Kanzaki, Daisuke Shiomi, Kazunobu Sato, Takeji Takui, Yasushi Morita
ORGANIC CHEMISTRY FRONTIERS
(2019)
Article
Chemistry, Multidisciplinary
Tsuyoshi Murata, Kenji Kotsuki, Hirotaka Murayama, Ryotaro Tsuji, Yasushi Morita
COMMUNICATIONS CHEMISTRY
(2019)
Article
Chemistry, Inorganic & Nuclear
Mahsa Saberian, Alireza Nezamzadeh-Ejhieh
Summary: CuO was successfully supported on clinoptilolite nanoparticles (NCP) via ion exchange and calcination, forming CuO-NCP photocatalysts. CuO-NCP exhibited enhanced photocatalytic activity towards tetracycline (TC), and the best degradation performance was achieved under optimal conditions (25 ppm TC solution, pH 4.8, and 0.5 g/L catalyst).
SOLID STATE SCIENCES
(2024)
