Article
Chemistry, Physical
Juan Pablo Leon-Gomez, Cristian Pinzon-Vanegas, Helen Paola Toledo-Jaldin, Jesus Jara-Cortes, Diego Martinez-Otero, Roberto Escudero, Maria K. Salomon-Flores, Jesus Valdes-Martinez, Alejandro Dorazco-Gonzalez
Summary: A new 1D Cu-coordination polymer and its variant were synthesized and characterized. The structures, UV-Vis absorptions, and magnetic properties of the two polymers were analyzed and compared using various techniques.
JOURNAL OF MOLECULAR STRUCTURE
(2024)
Article
Chemistry, Inorganic & Nuclear
Liam J. R. McGeachie, Michael Buhl, David B. Cordes, Alexandra M. Z. Slawin, J. Derek Woollins
Summary: This study reports the first examples of the thionylimido ligand acting as a mu(2)-bridging ligand between two transition-metal centers, and describes bi- and tetrametallic systems using Cp2Ti(NSO)(2).
INORGANIC CHEMISTRY
(2021)
Article
Nanoscience & Nanotechnology
Chen-Zhuo Liu, Tian-Peng Lv, You-Juan Zhang, Jing Chen, Qing-Lun Wang
Summary: A new complex composed of a trinuclear five-spin molecule system has been synthesized and characterized. This complex exhibits strong antiferromagnetic interactions.
SCIENCE OF ADVANCED MATERIALS
(2022)
Article
Chemistry, Inorganic & Nuclear
Meiling Hong, Lidong Dai, Haiying Hu, Xinyu Zhang, Chuang Li, Yu He
Summary: In this study, the high-pressure structural, magnetic and electrical transport characteristics of CrBr3 were investigated using various techniques. The results showed that CrBr3 underwent structural, electronic and magnetic transitions under different pressure conditions. The reversibility of these transitions was observed upon decompression. This systematic high-pressure investigation provides insights into the potential applications of CrBr3 in spintronics, magnetic and electronic devices, and improves our understanding of the physicochemical behaviors of 2D magnetic materials.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Multidisciplinary
Kiyoshi Fujisawa, Mai Saotome, Yoko Ishikawa, David James Young
Summary: This study reported the photoluminescence and two different polymorphs of [Cu(3,5-Ph(2)pz)](3) and its derivative [Cu(3-Me-5-Phpz)](3), revealing that the substituents in the derivative caused smaller distortions in the solid-state structure and a red-shift in photoluminescence due to the presence of intermolecular cuprophilic interactions.
Article
Chemistry, Inorganic & Nuclear
Mathias L. L. Skavenborg, Mads Sondrup Moller, Susanne Mossin, T. David Waite, Christine J. J. McKenzie
Summary: Heteroleptic copper complexes of an asymmetrical pincer ligand containing a central anionic sulfonamide donor have been prepared and shown to catalyze the electro-reduction of O2 to H2O2. The addition of a weak organic acid increases the reaction rate and the coulombic efficiency of H2O2 production was determined to be 48% by iodometric titration.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Soyoung Jeon, Yuri Jeong, Le Ngoc Tram Anh, Jeyun Ju, Daeheum Cho, Yoon Jung Jang, Ryuya Tokunaga, Shinya Hayami, Kil Sik Min
Summary: This work presents novel enantiopure mononuclear complexes with unique structural features. Some of the complexes exhibit strong fluorescence due to special interactions between the complexes and their coordinated ligands.
JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
(2023)
Article
Materials Science, Multidisciplinary
Paresh C. Rout, Udo Schwingenschlogl
Summary: By using density functional theory and Monte Carlo simulations, we found that epitaxial strain can enhance the critical temperature of double perovskite Sr2FeOsO6, enabling room-temperature applications. Under tensile strain, the material undergoes structural and magnetic transitions, accompanied by an indirect-to-direct band gap transition, which leads to efficient electron-hole separation upon photoexcitation.
Article
Multidisciplinary Sciences
Luca Tomarchio, Salvatore Macis, Lorenzo Mosesso, Loi T. Nguyen, Antonio Grilli, Mariangela Cestelli Guidi, Robert J. Cava, Stefano Lupi
Summary: The optical properties of CrI3 exhibit complex interactions among electronic, phononic, and magnetic degrees of freedom at different temperatures and phases, including the appearance of an insulating electronic gap, blue shift phenomenon, and effective interactions between electrons and magnetic degrees of freedom. This opens up many possibilities for its use in 2-Dimensional heterostructures.
SCIENTIFIC REPORTS
(2021)
Article
Materials Science, Multidisciplinary
S. Di Napoli, C. Helman, A. M. Llois, V. Vildosola
Summary: First-principles calculations were used to study the electronic and structural properties of the BPO/BBO interface, revealing the preservation of key features from BBO and partial breaking of breathing distortions at the interface. The presence of two types of carriers at the interface, as well as substantial electron-phonon coupling and high density of states, were identified as factors contributing to the observed superconductivity behavior.
Article
Biochemistry & Molecular Biology
J. Tholen, W. P. Galej
Summary: The spliceosome is a complex RNA-protein complex involved in processing pre-mRNA by removing non-coding introns. Recent advancements in single particle cryo-EM have allowed for the study of the spliceosome's structure and function. Despite progress, many aspects of spliceosome biology remain unclear.
CURRENT OPINION IN STRUCTURAL BIOLOGY
(2022)
Article
Materials Science, Multidisciplinary
M. Jonak, E. Walendy, J. Arneth, M. Abdel-Hafiez, R. Klingeler
Summary: We report on the low-energy magnetic excitations and the evolution of local magnetic fields in CrI3. By modeling and analyzing the data, we obtain the microscopic parameters describing the magnetic excitations in this two-dimensional ferromagnet and reveal the presence of anisotropy gap as well as the changing nature of short-range and long-range magnetic correlations.
Article
Chemistry, Inorganic & Nuclear
Peng-min Wang, Rui Liang, Yuan Chen, Ao-gang Liu, Zhao Ma, Bao Li, Tianle Zhang
Summary: CuI can react with 5,5'-bis((benzylthio)methyl)-2,2'-bipyridine to form two complexes depending on the gas atmosphere. By using SCXRD characterizations, it was found that a mixed-valence Cu-II/Cu(I) complex can be obtained under ambient atmosphere, while a Cu-II complex with oxalate can be produced via the reduction of CO2.
INORGANICA CHIMICA ACTA
(2022)
Article
Nanoscience & Nanotechnology
P. Puphal, M. Y. P. Akbar, M. Hepting, E. Goering, M. Isobe, A. A. Nugroho, B. Keimer
Summary: The study finds that Pb9Cu(PO4)(6)O crystals exhibit high insulating and optical transparent properties, ruling out the presence of superconductivity. Magnetic susceptibility measurements show the characteristic of a non-magnetic insulator, along with a small ferromagnetic component possibly originating from Cu-rich clusters in the structure.
Article
Nanoscience & Nanotechnology
Zu Li, Meng Zhang, Tao Zhang
Summary: This study investigates the mechanisms of vibration-facilitated plastic deformation in metallic materials through tensile tests on copper single crystal foils under low-frequency vibrational loading. The experimental results show that increasing vibration frequency enhances the plastic deformability of the copper foils, which can be explained by the formation of equiaxial dislocation cells.
MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
(2022)
Article
Computer Science, Software Engineering
Changjian Chen, Jun Yuan, Yafeng Lu, Yang Liu, Hang Su, Songtao Yuan, Shixia Liu
Summary: The article introduces a method for interactively identifying OoD samples through visual analysis, which integrates an ensemble OoD detection method and a grid-based visualization. By developing a novel kNN-based grid layout algorithm, the method aims to better analyze and understand OoD samples in context.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2021)
Article
Chemistry, Multidisciplinary
Xunshan Liu, Adam Matej, Tim Kratky, Jesus Mendieta-Moreno, Sebastian Guenther, Pingo Mutombo, Silvio Decurtins, Ulrich Aschauer, Jascha Repp, Pavel Jelinek, Shi-Xia Liu, Laerte L. Patera
Summary: In this study, selective C-H activation of hexaazatriphenylene by Scholl reaction was reported for the first time, achieving dehydrogenative C-C couplings. The formation of one-dimensional polymers with a double-chain structure was revealed using low-temperature scanning tunneling microscopy and atomic force microscopy. Density functional theory calculations rationalized the growth process, highlighting the cooperative catalytic action of Na and Ag adatoms in steering the C-H selectivity for polymerization.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2022)
Article
Computer Science, Software Engineering
Johannes Knittel, Steffen Koch, Tan Tang, Wei Chen, Yingcai Wu, Shixia Liu, Thomas Ertl
Summary: This study presents an interactive system for real-time visualization and analysis of social media data on a large scale. They propose an efficient and explainable dynamic clustering algorithm that powers a continuously updated visualization of the current thematic landscape. Their system works with non-geolocated posts and avoids extensive preprocessing.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Software Engineering
Jiazhi Xia, Yuchen Zhang, Jie Song, Yang Chen, Yunhai Wang, Shixia Liu
Summary: This study investigates the influence of different dimensionality reduction techniques on visual cluster analysis, focusing on linearity and locality properties. Four controlled experiments were conducted to evaluate the performance of 12 representative techniques in cluster identification, membership identification, distance comparison, and density comparison tasks. The study also assessed users' subjective preference regarding the quality of projected clusters.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Computer Science, Software Engineering
Changjian Chen, Jing Wu, Xiaohan Wang, Shouxing Xiang, Song-Hai Zhang, Qifeng Tang, Shixia Liu
Summary: Training high-performance object detectors often require expensive bounding box annotations, but recent methods have started using free-available image captions instead. However, detectors trained on caption supervision tend to perform poorly due to noisy captions that do not provide precise location information. To address this issue, a visual analysis method is presented that integrates caption supervision with object detection to mutually enhance each other.
IEEE TRANSACTIONS ON VISUALIZATION AND COMPUTER GRAPHICS
(2022)
Article
Chemistry, Medicinal
Qionglin Chen, Xinlei Yu, Shixia Liu, Suya Luo, Xiaojiao Chen, Nianjun Xu, Xue Sun
Summary: This study identified the essential role of phosphoglucomutase (PGM) in regulating the carbon flux between agar and other carbohydrates in Gracilariopsis lemaneiformis. The study also confirmed the presence of PGM genes and validated the subcellular localization of PGM proteins. It revealed the significant correlation between PGM activity and agar accumulation.
Article
Chemistry, Multidisciplinary
Philipp D'Astolfo, Xing Wang, Xunshan Liu, Marcin Kisiel, Carl Drechsel, Alexis Baratoff, Ulrich Aschauer, Silvio Decurtins, Shi-Xia Liu, Remy Pawlak, Ernst Meyer
Summary: Crystalline nanoporous molecular networks are assembled on the Ag(111) surface, with pores that confine electrons from the metal's surface state. The shifting of an antibonding level and a downshifted bonding state on molecular sites are observed, depending on pore sizes and coupling. Low-temperature force spectroscopy reveals energy dissipation peaks and jumps of frequency shifts at bias voltages, related to the confined states. These observations indicate the formation of two-dimensional arrays of coupled quantum dots, characterized by their quantum capacitances and resonant tunneling rates. Our work provides a method for studying the capacitive and dissipative response of quantum materials with nanomechanical oscillators.
Review
Chemistry, Multidisciplinary
Shi-Xia Liu, Ali K. Ismael, Alaa Al-Jobory, Colin J. Lambert
Summary: This article introduces the conduction of electrons through single molecules, and reveals the important role of quantum interference in the conductivity properties. It shows that conductivity can be controlled by adjusting the connectivity of electrodes and adding heteroatoms to the molecules. These effects can be observed even at room temperature, and can be described by simple quantum circuit rules and an intuitive "magic ratio" theory.
ACCOUNTS OF CHEMICAL RESEARCH
(2023)
Article
Multidisciplinary Sciences
Krisztina Regos, Remy Pawlak, Xing Wang, Ernst Meyer, Silvio Decurtins, Gabor Domokos, Kostya S. Novoselov, Shi-Xia Liu, Ulrich Aschauer
Summary: Molecular self-assembly plays a crucial role in technology and biological systems. Predicting pattern formation in 2D molecular networks is challenging, but this study introduces a simplified hierarchical geometric model based on graph theory to predict extended network patterns. The model provides pattern classification and prediction within specific ranges, offering a different perspective on self-assembled molecular patterns and potential applications.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
(2023)
Article
Chemistry, Multidisciplinary
Mariana Darii, Jan van Leusen, Victor Ch. Kravtsov, Yurii Chumakov, Karl Kramer, Silvio Decurtins, Shi-Xia Liu, Paul Kogerler, Svetlana G. Baca
Summary: Ultrasound-assisted synthesis was used to prepare a new nonanuclear SMM, [Mn7Dy2O6(OH)(OMe)(2)(piv)(8)(dea)(2)(MeOH)(2)(H2O)(2)](NO3)& BULL;H2O, with a {Mn-6 (MnDy2)-Mn-III-Dy-IV (III)}(28+) core based on vertex-sharing double-cubane units.
CRYSTAL GROWTH & DESIGN
(2023)
Article
Biochemistry & Molecular Biology
Ping Zhou, Ulrich Aschauer, Silvio Decurtins, Thomas Feurer, Robert Haner, Shi-Xia Liu
Summary: Polycyclic aromatic hydrocarbons (PAHs) are promising materials for organic electronics, and non-hexagonal ring-fused PAHs are particularly desirable for their unique optoelectronic properties. In this study, a new redox-active azulene-perylene diimide triad 1 and its ring-fused counterpart diazulenocoronene diimide 2 were synthesized and characterized. A significant change in the localization of HOMO and LUMO was observed upon the fusion of azulene and perylene diimide in compound 2, resulting in a lack of intramolecular charge-transfer character. Density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations provided further insight into the electronic transitions. The adaptive response to acids and bases manifested as a reversible two-color change attributed to changes in the chemical structures. These findings open up possibilities for manipulating the energy levels of organic chromophores, leading to potential applications in organic electronics and optical sensors.
Article
Multidisciplinary Sciences
Chao Li, Christoph Kaspar, Ping Zhou, Jung-Ching Liu, Outhmane Chahib, Thilo Glatzel, Robert Haener, Ulrich Aschauer, Silvio Decurtins, Shi-Xia Liu, Michael Thoss, Ernst Meyer, Remy Pawlak
Summary: Electron-vibration coupling plays a critical role in the development of molecular electronics, spintronics, and quantum technologies. This study demonstrates the direct control of vibronic excitations in TBTAP molecules on the surface of Ag(111).
NATURE COMMUNICATIONS
(2023)
Article
Chemistry, Physical
Fabio Montisci, Arianna Lanza, Martin Fisch, Camille Sonneville, Yan Geng, Christian Reber, Silvio Decurtins, Shi-Xia Liu, Piero Macchi
Summary: This study focuses on the effect of compression and cooling on the stereolectronic properties of TTF-BTD molecule and predicts the formation of a new phase under high pressure.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Multidisciplinary
Ping Zhou, Maryam Nazari Haghighi Pashaki, Hans-Martin Frey, Andreas Hauser, Silvio Decurtins, Andrea Cannizzo, Thomas Feurer, Robert Haener, Ulrich Aschauer, Shi-Xia Liu
Summary: This study demonstrates that long-lived charge-separated (CS) state can be achieved in fused donor-acceptor ensembles through symmetric annulation. Asymmetric charge trapping significantly stabilizes the CS state and leads to a longer lifetime compared to asymmetric systems.
Article
Chemistry, Multidisciplinary
Mariana Darii, Ecaterina S. Beleaev, Victor Ch. Kravtsov, Paulina Bourosh, Yurii Chumakov, Jurg Hauser, Silvio Decurtins, Shi-Xia Liu, Olga Sultanova, Svetlana G. Baca
Summary: A series of multicomponent compounds containing [Co(NH3)(6)](3+) cations and various organic donors have been synthesized and crystallized. The [Co(NH3)(6)](3+) cation serves as a building block for the formation of multi-component compounds with extended charge-supported networks and various interactions. Compound 1, consisting of hexaammine cobalt(III) chloride and 1,10-phenanthroline, showed the highest inhibitory potential against bacterial cancer in plants.
NEW JOURNAL OF CHEMISTRY
(2022)
