Article
Chemistry, Organic
Yanmin Liu, Ziwei Li, Luyao Yang, Shuo Li, Zhiwei Chen
Summary: This article reports the synthesis of a series of trichloromethyl/dichloromethyl substituted benzimidazole derivatives through dechlorination and cyclization reactions. The method exhibits a wide substrate scope, high atom economy, excellent regioselectivity, and is easily scalable.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Yae Hiroyasu, Kenji Higashiguchi, Chihiro Shirakata, Masataka Sugimoto, Kenji Matsuda
Summary: An asymmetric diarylethene dimer with independent photochromic reactions on each unit exhibited various colors upon UV irradiation. The photogenerated isomers were analyzed for their contents and other photoresponses, including photoisomerization, fluorescence, energy transfer, and non-radiative paths. Rate constants for the photochemical paths were calculated using measurable quantum yields and lifetimes. The competition between photoisomerization and intramolecular energy transfer was found to significantly contribute to the photoresponse.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Economics
Irena Jankovic, Vladimir Vasic, Vlado Kovacevic
Summary: The aim of this research is to amend traditional theories on bond pricing by introducing additional determinants specific to green bonds. The study confirms the significant effect of transparency on green bond yields through empirical analysis of EU government bonds. The practical implication of these findings is the potential for issuing green bonds under more favorable financing conditions.
Article
Chemistry, Multidisciplinary
Miran Lemmerer, Margaux Riomet, Ricardo Meyrelles, Boris Maryasin, Leticia Gonzalez, Nuno Maulide
Summary: This study presents a novel direct C-C coupling process that combines Michael acceptors and Eschenmoser's salt without the need for Lewis acid catalyst. The underlying mechanism was revealed through a combination of kinetic, isotopic labeling experiments, and computational investigations, highlighting the significant role of HFIP as a superior mediator for proton-transfer events and the decisive role of the halide counterion.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Polymer Science
Huan Hu, Xin Cheng, Zhimin Ma, Zhijian Wang, Zhiyong Ma
Summary: A novel ABPX mechanophore with double spiro rings was introduced into PMAs with different molecular weights to experience gradient forces exerted by ultrasonication. The study confirmed polymer mechanochromism with a dual-signal response and force-dependent distribution of two mechanogenerated ring-opened isomers.
Article
Chemistry, Multidisciplinary
Mohana Reddy Mutra, T. L. Chandana, Yun-Jou Wang, Jeh-Jeng Wang
Summary: Environmentally friendly acid-catalyzed ynamide N-Csp bond cleavage, alkyne migration, and stereospecific functionalization with anisole derivatives for the synthesis of challenging cis-alkene tethered indole scaffolds in a very short reaction time (5-10 min).
Article
Biochemistry & Molecular Biology
Ilia Litvinov, Anna Salova, Nikolay Aksenov, Elena Kornilova, Tatiana Belyaeva
Summary: In this study, the photophysical characteristics of core/shell InP/ZnS quantum dots (InP-QDs) were analyzed in cell culture medium, salt solutions, and directly in the cells. It was found that InP-QDs were internalized into endolysosomes in HeLa and A549 cells with similar dynamics to Cd-based QDs, but the two cell lines accumulated them differently. InP-QDs were reliably detected in the endosomes despite their low quantum yields. Factors such as cell culture medium, acidic pH, and salt solutions were found to affect the photoluminescence lifetime of InP-QDs. The scatter between endosomes in the same cell was observed, indicating the complex impact of these factors on the state of InP-QDs. The toxicity of InP-QDs for both cell lines at concentrations higher than 20 nM was demonstrated.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Crystallography
Ester Soru, Grace Cairney, John M. D. Storey, William T. A. Harrison
Summary: This article discusses the synthesis and crystal structures of three chiral oxazolidinone derivatives prepared from L-alanine and pivalaldehyde, revealing their homochiral structures and various conformations in the five-membered rings. The extended structures of two compounds are linked by C-H···O hydrogen bonds, with one exhibiting a notably short H···O separation distance.
Article
Chemistry, Multidisciplinary
Hai Qian, Nathan S. Purwanto, Douglas G. Ivanoff, Abigail J. Halmes, Nancy R. Sottos, Jeffrey S. Moore
Summary: A new family of mechanophores based on the oxazine (OX) structural motif was developed to address issues of hysteretic or irreversible mechanochromism found in most bond-scission-based mechanophores. The OX mechanophores exhibit faster and reversible mechanochromism without any sign of fatigue when compared with other mechanophores. Constrained DFT simulations correlated the experimental findings to molecular scale events, providing deeper understanding to a broad range of soft materials by in situ monitoring the local mechanics.
Article
Chemistry, Physical
Yongfu Liang, Min Wu, Can Tian, Xiaoli Huang, Yanping Huang, Yulia Lekina, Ze Xiang Shen, Xinyi Yang
Summary: This study demonstrates high yellow emission in two-dimensional halide perovskites under pressure, achieving high PLQY and color coordinates close to standard sodium yellow light. The pressure-induced tilting of octahedra enhances trap states, leading to more localized excitons with lower scattering probability, resulting in significant suppression of nonradiative loss and promotion of radiative recombination rate for efficient and high-color-purity emission.
ACS APPLIED ENERGY MATERIALS
(2021)
Article
Polymer Science
Xuejian Xia, Xiaojie He, Songyang Zhang, Feng Zheng, Qinghua Lu
Summary: Improving the properties of colorless and transparent polyimides for next-generation flexible displays is challenging. This study synthesized different amide-containing diamines and investigated the effects of substituents on optical and physical properties. The results showed that incorporating twisted conformation and hydrogen bonds significantly enhanced the optical, thermal, and mechanical properties of the polyamide-imides. CPAI-7 exhibited excellent performance and showed potential for application in flexible displays.
EUROPEAN POLYMER JOURNAL
(2023)
Article
Multidisciplinary Sciences
Meijia Qiu, Peng Sun, Kai Han, Zhenjiang Pang, Jun Du, Jinliang Li, Jian Chen, Zhong Lin Wang, Wenjie Mai
Summary: By analyzing experimental spectra and molecular simulation results, a direct link between tetrahedral entropy and the freezing behavior of water in Zn2+-based electrolytes is reported. Higher tetrahedral entropy leads to a lower freezing point, and the freezing temperature is directly related to the entropy value. Through tailoring the entropy of water, an ultralow temperature aqueous polyaniline|Zn battery is developed, exhibiting high capacity (74.17 mAh g(-1)) at -80 degrees C and excellent stability and frost resistance.
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Weixing Li, Denis S. Tikhonov, Melanie Schnell
Summary: Proton transfer via tunneling is a fundamental quantum-mechanical phenomenon, as demonstrated by rotational spectroscopy measurements on the complex of formic acid dimer with fluorobenzene. The presence of fluorobenzene does not quench the double proton transfer in the formic acid dimer, but instead decreases its tunneling splitting. Calculations suggest that fluorobenzene's weak binding does not affect the activation energy of proton transfer, but does slow down the proton transfer motion during the reaction.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Naoki Kimura, Shiori Katta, Yoichi Kitazawa, Takuya Kochi, Fumitoshi Kakiuchi
Summary: A new method for the C-H homoallylation reaction of aromatic ketones with methylenecyclopropanes using a catalytic amount of Fe(PMe3)(4) was reported, yielding selectively ortho-homoallylated aromatic ketones through regioselective scission of the three-membered rings. The homoallylated products are suitable for further modifications, leading to functionalized 1,2-dihydronaphthalenes.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Jungang Wang, Shanghui Yang, Qiling Zou, Huanjiang Wang, Hongqing Li
Summary: This study describes the synthesis and X-ray structure of a novel glycoluril derivative. The compound crystallized in an unusual as conformation, influenced by solvation effect, hydrogen bonding, and space-occupying effect. The X-ray crystallographic analysis provides evidence of the as conformation of the glycoluril derivative and demonstrates the impact of solvent water on its conformational behavior.
JOURNAL OF CHEMICAL RESEARCH
(2021)
Correction
Chemistry, Physical
Hiromu Kubo, Takashi Hirose, Takuya Nakashima, Tsuyoshi Kawai, Jun-ya Hasegawa, Kenji Matsuda
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Physical
Hiromu Kubo, Takashi Hirose, Takuya Nakashima, Tsuyoshi Kawai, Jun-ya Hasegawa, Kenji Matsuda
Summary: Substituting the [7]helicene framework can enhance the transition magnetic dipole moment (TMDM) for the S-1 -> S-0 transition, resulting in a higher fluorescence emission rate and improved optical properties in the derivative helicenes.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Inorganic & Nuclear
Ryosuke Asato, Colin J. Martin, Seifallah Abid, Yohan Gisbert, Fumio Asanoma, Takuya Nakashima, Claire Kammerer, Tsuyoshi Kawai, Gwenael Rapenne
Summary: Adding a terarylene photo-chrome fragment to a molecular motor, and performing photoisomerization under UV irradiation, has allowed researchers to control rotational motion through temperature and light.
INORGANIC CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Shumpei Yonezawa, Tsuyoshi Kawai, Takuya Nakashima
Summary: Propagation and amplification of chirality play a crucial role in the chemical evolution of biological homochirality. Stereochemical communications significantly affect the formation of chiral hierarchical structures in helical polymers, surface assemblies, and supramolecular polymers. The coassemblies of chiral and achiral PDI dyes with different core units demonstrate the composition-dependent control of the length of supramolecular nanofibers and amplification of optical activity.
FRONTIERS IN CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Shinjiro Takano, Haru Hirai, Takuya Nakashima, Takeshi Iwasa, Tetsuya Taketsugu, Tatsuya Tsukuda
Summary: A series of doped gold superatoms M@Au-12 were synthesized and the Ru@Au-12 superatom exhibited room-temperature phosphorescence in deaerated dichloromethane with a quantum yield of 0.37. Density functional theory calculations suggested that the efficient phosphorescence is attributed to rapid intersystem crossing between singlet and triplet excited states with structural and energy similarities.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2021)
Article
Chemistry, Multidisciplinary
Tomoaki Tanase, Kanako Nakamae, Yume Okawa, Mami Hamada, Arimasa Matsumoto, Takayuki Nakajima, Takuya Nakashima, Tsuyoshi Kawai
Summary: A P-stereogenic linear tetraphosphine tetraoxide was synthesized to prepare lanthanide(III) complexes with P-chiral multidentate phosphine oxides. The photophysical properties of the complexes revealed significant chiral induction from the P-chiral centers through intramolecular pi-pi stacking constraint.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Physical
Hiroto Yoshida, Miwa Kuzuhara, Riku Tanibe, Tsuyoshi Kawai, Takuya Nakashima
Summary: Surface ligands are crucial in the synthesis of metal nanoclusters, playing a role in tuning the sizes, compositions, structures, and properties. Chiral ligands can induce the formation of optically active nanoclusters and influence the handedness of chiral atomic arrangement. The use of enantiomeric ligand in the synthesis of nanoclusters can lead to the preferential formation of either right- or left-handed nanoclusters with intrinsic chirality.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Ryosuke Asato, Colin J. Martin, Takuya Nakashima, Jan Patrick Calupitan, Gwenael Rapenne, Tsuyoshi Kawai
Summary: Photochromic molecules exhibit reversible isomerization reactions, with efficient energy storage efficiency and high photochemical quantum yield for cyclization reactions, enabling effective cascade cycloreversion reactions.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
(2021)
Article
Chemistry, Multidisciplinary
Haru Hirai, Shinjiro Takano, Takuya Nakashima, Takeshi Iwasa, Tetsuya Taketsugu, Tatsuya Tsukuda
Summary: In this study, a series of MAu12(dppe)(5)Cl-2 compounds with icosahedral structures were synthesized and their electronic structures, photoluminescence, and photocatalytic properties were systematically investigated. Doping an M element at the lower left of the periodic table expanded the energy gap between HOMO and LUMO, resulting in enhanced photoluminescence quantum yield. MAu12 (M=Pt, Rh, or Ir) exhibited higher photocatalytic activity than Au-13.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Takuya Nakashima, Riku Tanibe, Hiroto Yoshida, Masahiro Ehara, Miwa Kuzuhara, Tsuyoshi Kawai
Summary: Pathway-dependent chirality control in silver nanoclusters is achieved by using enantiomeric ligand, leading to the formation of chiral silver nanoclusters with intrinsic chirality. Guest binding to the nanoclusters' shell can reverse the stability between right- and left-handed nanoclusters, resulting in unprecedented chirality inversion.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Chemistry, Multidisciplinary
Joy Ann Panis, Marine Louis, Arnaud Brosseau, Shouhei Katao, Florencio de los Reyes, Takuya Nakashima, Remi Metivier, Clemence Allain, Tsuyoshi Kawai
Summary: In this study, we synthesized two different bichromophoric difluoroboron-beta-diketonate compounds with different connectivity using cyclohexane diamine as a chiral bridge. TD-DFT calculations and experiments revealed that the connectivity variation affects the spatial arrangement and chirality inversion of the compounds. The compound with para connectivity showed higher absorption values, and ultrasonication and heating induced the formation of highly ordered nano-helical wires, leading to increased emission values.
CHEMISTRY-A EUROPEAN JOURNAL
(2022)
Article
Chemistry, Physical
Yasuto Nakagawa, Boda Yu, Yoshiaki Niidome, Keita Hayashi, Aleksandar Staykov, Miku Yamada, Takuya Nakashima, Tsuyoshi Kawai, Tsuyohiko Fujigaya, Tomohiro Shiraki
Summary: This study demonstrates that covalent attachment of a diarylethene derivative to single-walled carbon nanotubes introduces carbon defects, leading to near-infrared photoluminescence. Furthermore, reversible and repetitive wavelength switching of the photoluminescence is achieved based on photoisomerization of the diarylethene moieties on the nanotubes.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Physical
Jumpei Kuno, Nicolas Ledos, Pierre-Antoine Bouit, Tsuyoshi Kawai, Muriel Hissler, Takuya Nakashima
Summary: This study demonstrates the induction of circularly polarized luminescence (CPL) in achiral fluorescent molecules by grafting them onto inorganic nanoparticles with a chiral shape. The chiralities of crystallography and morphology of mercury sulfide (HgS) nanoparticles are independently considered and the twist direction of the nanoparticles can be modified to regulate the sign of CPL signals. This research reveals a method for chirality control on inorganic nanoparticles.
CHEMISTRY OF MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Wataru Ishii, Shohei Katao, Yoshiko Nishikawa, Yasuo Okajima, Atsuya Hatori, Masahiro Ehara, Tsuyoshi Kawai, Takuya Nakashima
Summary: Photoirradiation of a pyridine solution of Ag-29 nanoclusters with red photoluminescence at 680 nm activated intense photoluminescence in the near infrared (NIR) region, with a quantum yield of 33% at 770 nm. The use of Au-doped silver nanoclusters further increased the quantum yield to over 45% at 800 nm. Photoirradiation is believed to alter the charge localization in nanoclusters, leading to the formation of sites emitting near infrared light.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Shinya Yamasaki, Sanae Ishida, Sunnam Kim, Mihoko Yamada, Takuya Nakashima, Tsuyoshi Kawai, Seiji Kurihara, Tuyoshi Fukaminato
Summary: The designed near-infrared fluorescent nanoparticle exhibits AIE properties and high-contrast NIR fluorescence photoswitching, attributed to amplified fluorescence quenching mechanism based on intermolecular energy transfer in a densely packed NP state.
CHEMICAL COMMUNICATIONS
(2021)
