Article
Astronomy & Astrophysics
Simon Rozier, Benoit Famaey, Arnaud Siebert, Giacomo Monari, Christophe Pichon, Rodrigo Ibata
Summary: We use the matrix method of linear response theory to model the response of the spherical, nonrotating Milky Way dark matter and stellar halos to the Large Magellanic Cloud. Our computations reproduce the main features of the dark halo response from simulations. We find that the dark halo response is largely dominated by the first-order forcing term, making it difficult to constrain the underlying velocity distribution of the dark halo using the observed response of the stellar halo. However, it allows us to investigate the response of stellar halo models with various velocity anisotropies.
ASTROPHYSICAL JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Andrew Docker, Antonio J. Martinez Martinez, Heike Kuhn, Paul D. Beer
Summary: This study describes the synthesis and characterization of two novel molecular organotelluroxane clusters. The addition of specific functional groups to the tellurium centers enables chalcogen bonding halide template directed assembly. These molecular clusters have excellent solubility in organic solvents and remarkable chemical stability, and they also exhibit aggregation induced emission behavior in organic aqueous solvent mixtures.
CHEMICAL COMMUNICATIONS
(2022)
Article
Automation & Control Systems
Huiyan Yang, Shiyan Jin, Wei Dawid Wang
Summary: This paper demonstrates a compliant and passive connection strategy using reclosable fasteners as the connection mechanisms for the rapid assembly of various soft machines. Different assembling patterns and improved alignment precision are achieved through the design of multifaceted structures and alignment mechanisms. This approach provides routes to new modular soft robots and devices, with high adaptability and versatility for various application scenarios.
ADVANCED INTELLIGENT SYSTEMS
(2022)
Article
Engineering, Electrical & Electronic
Lu Yin, Peng Yang, Tao Dong, Jun Hu, Zaiping Nie
Summary: This article introduces a low-cost and modular microstrip phased-array antenna integrated with a 2-bit phase shifter. By utilizing multiple subarrays and controlling the ON and OFF states of p-i-n diodes, the antenna achieves significant gain increase and wide-angle beam scanning capability.
IEEE TRANSACTIONS ON ANTENNAS AND PROPAGATION
(2023)
Article
Materials Science, Characterization & Testing
Sina Zamen, Ehsan Dehghan-Niri, Helem Al-Beer, John Lindahl, Ahmed Arabi Hassen
Summary: In recent decades, researchers have developed nonlinear ultrasonic techniques for material quality control. Frequency domain analysis, although widely used in linear systems, may not perform adequately in nonlinear systems. Analysis in the phase-space domain can retain all the information regarding a system's states and provide amplitude-dependent characteristics of nonlinear behavior. By investigating interlayer bonding in polymer-based additive manufactured parts, it was found that the largest Lyapunov exponent in the phase-space domain can be used as a reliable quantitative feature to detect and characterize weak bonds.
NDT & E INTERNATIONAL
(2022)
Article
Chemistry, Multidisciplinary
Huisheng Zhang, Yingying Wang, Wenjia Yang, Jingjing Zhang, Xiaohong Xu, Feng Liu
Summary: The study shows that epitaxial growth of plumbene on the BaTe(111) surface can transform the trivial Pb lattice into a quantum spin Hall (QSH) phase with a large gap. Surface adsorption of H or halogen atoms can further increase the gap, demonstrating the potential for exploring large-gap QSH insulators in heavy-metal-based materials.
Article
Chemistry, Multidisciplinary
Simon Ludwanowski, Daniel Hoenders, Kubra Kalayci, Hendrik Frisch, Christopher Barner-Kowollik, Andreas Walther
Summary: qStyPy is a modularly applicable, red-shifted, and self-reporting photodynamic covalent crosslinker that undergoes [2+2] cycloadditions in water upon irradiation with 470 nm light. Its rational design increases hydrophilicity and features broad emission in the far-red/near-infrared regime, making it suitable for biomedical applications.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Takuji Fujii, Simone Gallarati, Clemence Corminboeuf, Qian Wang, Jieping Zhu
Summary: In this study, an efficient synthesis of diversely functionalized benzocyclobutenes (BCBs) was reported. The synthesis was achieved through a Pd(II)-catalyzed formal [2+2] annulation between arylboronic acids and alkenes in the presence of N-fluorobenzenesulfonimide (NFSI). The reaction mechanism was also proposed.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Article
Crystallography
Marcus Herbig, Edwin Kroke, Joerg Wagler
Summary: A series of silylated 2-aminopyrimidines were synthesized from chlorosilanes and 2-aminopyrimidine using triethylamine as a sacrificial base. The molecular structures of these compounds were determined using various spectroscopic techniques and single-crystal X-ray diffraction analyses. The presence of intramolecular van der Waals contacts and intermolecular hydrogen bonds contributes to the solid-state structures of these compounds.
Article
Chemistry, Physical
A. Steephenraj, Chinnasami Sidden, Rajesh Paulraj, S. Sahaya Jude Dhas
Summary: In this study, a single crystal of 2-methyimidazolium hydrogen oxalate dihydrate (2MIO) was successfully grown using the solution growth technique. The crystal's lattice parameters were determined by single-crystal X-ray diffraction analysis. The crystal was characterized for its crystalline phase, composition, and nonlinear optical efficiency. The results showed that the 2MIO crystal had good transmittance and a lower cut-off wavelength of 280 nm. Thermal measurements, Z-scan study, and quantum chemical calculations were performed to investigate the decomposition, nonlinear optical properties, and molecular characteristics of 2MIO. The computational studies revealed that the first-order hyperpolarizability of 2MIO was 4.95 times higher than that of standard urea.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Multidisciplinary Sciences
De-Sheng Lu, Wei Ren, Yuan Sun, Tang Li, Qiu-Zhi Qu, Bin Wang, Lin Li, Jian-Bo Zhao, Xin Zhao, Jing-Wei Ji, Mei-Feng Ye, Jing-Feng Xiang, Wei-Biao Chen, Yu-Zhu Wang, Liang Liu
Summary: Observation of highly efficient laser cooling in microgravity through conducting cold atom experiment in a space lab with successful and consistent performance for almost three years since 2016.
NATIONAL SCIENCE REVIEW
(2023)
Article
Chemistry, Multidisciplinary
Wing Hei Marco Wong, Xueying Guo, Hok Tsun Chan, Tilong Yang, Zhenyang Lin
Summary: Heavier main-group element-catalyzed reactions have become an increasingly attractive tool for mimicking the behaviors of transition metal catalysts. The Bi-catalyzed synthesis of aryl sulfonyl fluorides reported by Magre and Cornella exhibits the ability of hypervalent coordination of the Bi(III) center and the high polarity of the Bi-Ph bond, allowing the heavier main-group element to resemble the transition metal in ligand association and dissociation flexibility. Additionally, the migrating Ph group's available pi electron pair stabilizes the SO2 insertion transition state by maintaining interaction with the Bi(III) center during migration.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Chemistry, Physical
Bora Karasulu, Jean-Marc Leyssale, Patrick Rowe, Cedric Weber, Carla de Tomas
Summary: In this study, the structure of carbon clusters spanning a wide range of sizes was systematically predicted using the stochastic ab initio random structure search algorithm (AIRSS) combined with geometry optimizations based on interatomic potentials. The transferability and predictive capability of seven widely used carbon potentials were tested, and the best performing potential, GAP-20, was employed to predict larger clusters in the nanometer scale. The complete cluster dataset obtained captures the evolution of topological properties with cluster size, including ordered and disordered structures, as well as predicting novel isomers.
Article
Chemistry, Multidisciplinary
Yu-Qing Xiao, Miao-Miao Li, Zheng-Xin Zhou, Yu-Jie Li, Meng-Yue Cao, Xiao-Peng Liu, Hai-Hua Lu, Li Rao, Liang-Qiu Lu, Andre M. Beauchemin, Wen-Jing Xiao
Summary: This article describes a palladium-catalyzed highly diastereo- and enantioselective (3+2) cycloaddition reaction, which successfully synthesizes a variety of chiral five-membered heterocycles. The key to the success of this reaction is the remote stereoinduction through hydrogen bond, addressing the challenge of generating chiral quaternary stereocenters using substrates with two different acceptors.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Cell Biology
Xiaoxuan Zhai, Wenjun Wang, Shukun Sun, Yu Han, Jiaxin Li, Shengchuan Cao, Ruochuan Li, Tonghui Xu, Qiuhuan Yuan, Jiali Wang, Shujian Wei, Yuguo Chen
Summary: This study demonstrated that 4-HNE contributes to cardiomyocyte necroptosis by regulating RIP1 protein degradation, while ALDH2-Tg mice showed significantly reduced necroptosis. Perfusion of 4-HNE enhanced cardiomyocyte necroptosis in a time- and concentration-dependent manner, and knockdown of RIP1 prevented 4-HNE-induced necroptosis.
FRONTIERS IN CELL AND DEVELOPMENTAL BIOLOGY
(2021)
Article
Chemistry, Physical
Hang Lyu, Wilwin Wilwin, Zhenyang Lin, Haibin Su
Summary: This study identifies the important role of the gauche conformation in the energetics of monolayer phosphorus allotropes. The stability of phosphorene allotropes is closely related to the delicate interactions of lone pairs manifested by the gauche effect.
JOURNAL OF PHYSICAL CHEMISTRY C
(2022)
Article
Chemistry, Multidisciplinary
Tong-Tong Liu, Jiaxin Chen, Xin-Lei Chen, Li Ma, Bing-Tao Guan, Zhenyang Lin, Zhang-Jie Shi
Summary: A new class of boryl radicals ligated by a cyclic CAAC is reported, featuring a large spin density on the boron center as ascertained by EPR spectroscopy and DFT calculations. Structural and computational analyses revealed that stability of these radicals is assisted by the CAAC ligand and a weak but significant B(III)Br-B(II) interaction, suggesting a cooperative avenue for stabilization of boryl radicals. Two-electron reduction of these radicals provides C-H insertion products via a borylene intermediate.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Tong-Tong Liu, Jiaxin Chen, Bing-Tao Guan, Zhenyang Lin, Zhang-Jie Shi
Summary: Derived from structurally similar precursors, two different azidodiboranes underwent distinct aryl migration reactions triggered by different boron-boron separation distances. A shorter boron-boron distance led to heterolateral aryl migration and the formation of a seven-membered azadiborepin, while a longer boron-boron distance resulted in a stable bis-azidoborane scaffold. The pyrolysis of the bis-azidoborane led to the formation of an eight-membered oxazadiborocine through homolateral aryl migration and subsequent [3+2] cycloaddition. Density functional theory (DFT) calculations revealed that the boron-boron separation distances were the intrinsic factors driving the distinct migrations.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Wing Hei Marco Wong, Xueying Guo, Hok Tsun Chan, Tilong Yang, Zhenyang Lin
Summary: Heavier main-group element-catalyzed reactions have become an increasingly attractive tool for mimicking the behaviors of transition metal catalysts. The Bi-catalyzed synthesis of aryl sulfonyl fluorides reported by Magre and Cornella exhibits the ability of hypervalent coordination of the Bi(III) center and the high polarity of the Bi-Ph bond, allowing the heavier main-group element to resemble the transition metal in ligand association and dissociation flexibility. Additionally, the migrating Ph group's available pi electron pair stabilizes the SO2 insertion transition state by maintaining interaction with the Bi(III) center during migration.
CHEMISTRY-AN ASIAN JOURNAL
(2023)
Article
Chemistry, Inorganic & Nuclear
Xin Xu, Zhenyang Lin
Summary: A mild synthetic method for transforming aromatic carbon-oxygen (C-O) bonds into useful molecules was reported. The method involved the use of a carbene complex to catalyze the asymmetric ring-opening reaction of dinaphthofuran with PhMgCl at room temperature. Density functional theory (DFT) calculations were performed to investigate the detailed mechanism, revealing a novel pathway involving Mg(II)-O coordination, phenyl nucleophile migration, and oxidative addition of a C-O bond to Ni(0). Insights into the role of the chiral NHC ligand in inducing enantioselectivity were also obtained.
Article
Chemistry, Multidisciplinary
Junyi Wang, Shuai Zhu, Wangyang Ma, Zhenyang Lin, Qing Ye
Summary: BN-butafulvenes, mono-BN isosteres of butafulvene and highly strained isomers of azaborines and B-amino boroles, have been synthesized via hydrolysis of the urana-borabicyclic complexes obtained from the reactions of bis(alkynyl)boranes with an uranacyclopropene complex. Their 4-dimethylaminopyridine (DMAP) adducts can further isomerize to 1,2,4,6-multisubstituted BN-9,1-naphthalenes. Both NMR reaction monitoring and theoretical calculations point to a reaction mechanism involving dearomative insertion of DMAP followed by two consecutive 1,2-hydrogen shifts. The photophysical studies of the highly substituted BN-9,1-naphthalenes reveal a notable redshift in both the UV/Vis absorption and emission spectra. The (TD)-DFT calculations corroborate the experimental data, suggesting that the strong pi-donating amino substitution at the 1- and/or 6-positions destabilizes the HOMO, and thus leading to a notable decrease of the HOMO-LUMO gap.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Multidisciplinary
Shuxuan Liu, Ka Lok Chan, Zhenyang Lin, Jianwei Sun
Summary: This article reports the use of extended quinone methides with carbonyl and methide units distributed across two different rings as intermediates for asymmetric synthesis. By using suitable chiral phosphoric acids, the first asymmetric process involving such intermediates was achieved. These processes provide a rapid and highly enantioselective access to previously less accessible remotely chiral naphthols and naphthylamines. Control experiments and DFT calculations reveal important insights into the reaction mechanism, which likely involves the role of two phosphoric acid molecules in the enantiodetermining transition states. This work serves as a proof of concept for the exploitation of new types of extended quinone methides as versatile intermediates for asymmetric synthesis, offering a new platform for the efficient construction of remote benzylic stereogenic centers of aromatic compounds.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Biochemistry & Molecular Biology
Kalok Chan, Long Thanh Ta, Yong Huang, Haibin Su, Zhenyang Lin
Summary: In this study, a simple molecular representation method was developed using machine learning and artificial intelligence techniques to predict rate constants of aryl bromides in palladium-catalyzed Sonogashira coupling reactions. The results demonstrate the importance of incorporating domain knowledge into machine learning for improved data analysis.
Article
Chemistry, Multidisciplinary
Xiaonan Li, Tilong Yang, Jiayuan Li, Xiang Li, Pinhong Chen, Zhenyang Lin, Guosheng Liu
Summary: Palladium-catalyzed remote 1,n-dioxygenation (n = 4) of internal alkenes using engineered pyridine-oxazoline (Pyox) ligands is reported. The reactions exhibit high regio- and enantioselectivity, and have a broad substrate scope, providing optically pure 1,n-diol acetates as key synthons for bioactive molecules. Experimental and theoretical studies reveal that the regioselectivity is controlled by the reactivity disparity of two allylic C-H bonds, with the first palladium migration step being the regioselectivity-determining step facilitated by modified phenyl-substituted Pyox ligands.
Article
Chemistry, Inorganic & Nuclear
Rain Ng, Shun-Cheung Cheng, Ka-Lok Chan, Cheuk-Pui Leung, Wai-Man Cheung, Herman H. -Y. Sung, Hung Kay Lee, Chi-Chiu Ko, Ian D. Williams, Zhenyang Lin, Wa-Hung Leung
Summary: In this study, iridium complexes containing a bis-cyclometalated tripodal CANAC ligand were synthesized and their redox property and reactivity were investigated. Various iridium complexes were successfully obtained through different reactions, and their structures and properties were further studied. The results highlighted the crucial role of the CANAC ligand in stabilizing high-valent iridium.
Article
Chemistry, Multidisciplinary
Masahiro Yamamoto, Wing Chun Chan, Zhenyang Lin, Makoto Yamashita
Summary: The reaction between tetra(o-tolyl)diborane(4) and organic azides yields three different compounds, diborylamines, diboryltriazenes, and B-2-hexazenes with a bicyclic B2N6 ring system. Aryl azides react to form diborylamines, while 1 equiv. of alkyl azides results in diboryltriazenes. Excess primary alkyl azide leads to the formation of new heterocyclic B-2-hexazenes. Control experiments and DFT calculations support the general reaction mechanism via diboryltriazenes to explain the formation of the B2N6 structure. The B-2-hexazenes exhibit strong fluorescence with a high fluorescent quantum yield of up to 96%.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Wenlong Sun, Chi-Ming Au, Ka-Wa Wong, Ka Lok Chan, Cheuk Kit Ngai, Hung Kay Lee, Zhenyang Lin, Wing-Yiu Yu
Summary: Directarene C-H functionalization by amidyl radicals has made significant progress for arylamides synthesis. Photocatalytic protocols can easily generate amidyl radicals under mild conditions, but designing catalysts with earth-abundant Fe complexes for C-H amidation is an attractive approach for controlling selectivity. However, the preference for high-spin configuration makes it challenging to design robust Fe catalysts for C-H amidation.
Article
Chemistry, Physical
Yongheng Jia, Ruichen Li, Yang Zhou, Shenghe Zhao, Hui Yu, Jianpu Wang, Zhenyang Lin, Haibin Su, Ni Zhao
Summary: Perovskite light-emitting diodes (PeLEDs) based on 3D mixed Br-Cl compositions exhibit good color stability and efficiency in the sky-blue range, but suffer from a significant performance decay in the deep-blue emission. This decay is mainly attributed to the poor morphology of the emissive layer. By combining theoretical and experimental approaches, it is discovered that the exchange of halide ions in lead complexes drives the precipitation of CsCl, resulting in low solubility at high Cl/Br ratios and inadequate perovskite film coverage. A metastable dissolution strategy is proposed, leading to deep-blue PeLEDs with a record high EQE of 4% and excellent spectral stability.
Article
Chemistry, Multidisciplinary
Zhongming Cheng, Tilong Yang, Can Li, Yunshun Deng, Fangjia Zhang, Pinhong Chen, Zhenyang Lin, Shengming Ma, Guosheng Liu
Summary: This study presents a copper-catalyzed radical relay strategy for the site-selective cyanation of sp(2) C-H bonds in allenes. The reactions show broad substrate scope and remarkable functional group compatibility under mild conditions. The site-selectivity is attributed to the unique pocket created by the Cu-bound nitrogen-centered radical and the crucial hydrogen bonding between the fluoride and the hydrogen atom. Late-stage functionalization of drug-like bioactive molecules containing an allene motif becomes feasible.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2023)
Article
Chemistry, Organic
Jiao Jiao, Pei He, Tilong Yang, Tingwei Zhang, Linghua Wang, Tian Han, Yong Nie, Zhenyang Lin, Pengfei Li
Summary: An asymmetric synthesis of chiral metallacarboranes using a traceless chiral N-tertbutylsulfinamide auxiliary is reported. Investigations reveal a stereospecific SN2-type reaction mechanism, providing a new pathway for the preparation of chiral metallacarboranes and related compounds.
ORGANIC CHEMISTRY FRONTIERS
(2023)