Results 151 to 160 of about 2,204,696 (317)

Isolation of a Chiral Anthracene Cation Radical: X-Ray Crystallography and Computational Interrogation of its Racemization [PDF]

, 2017
Chiral cation-radical salts hold significant promise as charge-transfer materials, chiroptical switches, and electron-transfer catalysts for enantioselective synthesis.
Bhatnagar, Anshul, Ivanov, Mikhail V., Rathore, Rajendra, Thakur, Khushabu   +3 more
core   +1 more source

Hidden Charge‐Order in the Mixed‐Valent K0.75Li2Cr6O12 High‐Pressure Oxide

Advanced Science, EarlyView.
K0.75Li2Cr6O12 is one of the few mixed valent chromium oxides. It shows a single angle spiral magnetic structure with a k = [1/3 1/3 ¼] propagation vector. Density functional theory reveals a hidden charge order that is necessary to stabilize the antiferromagnetic (AFM) ground state.
Angel M. Arévalo‐López, Clemens Ritter, Marielle Huvé, Olivier Mentré   +3 more
wiley   +1 more source

Solvent organization in the ultrahigh-resolution crystal structure of crambin at room temperature

IUCrJ
Ultrahigh-resolution structures provide unprecedented details about protein dynamics, hydrogen bonding and solvent networks. The reported 0.70 Å, room-temperature crystal structure of crambin is the highest-resolution ambient-temperature structure of a ...
Julian C.-H. Chen, Miroslaw Gilski, Changsoo Chang, Dominika Borek, Gerd Rosenbaum, Alex Lavens, Zbyszek Otwinowski, Maciej Kubicki, Zbigniew Dauter, Mariusz Jaskolski, Andrzej Joachimiak   +10 more
doaj   +1 more source

Generating Dynamic Structures Through Physics‐Based Sampling of Predicted Inter‐Residue Geometries

Advanced Science, EarlyView.
While static structure prediction has been revolutionized, modeling protein dynamics remains elusive. trRosettaX2‐Dynamics is presented to address this challenge. This framework leverages a Transformer‐based network to predict inter‐residue geometric constraints, guiding conformation generation via physics‐based iterative sampling. The resulting method
Chenxiao Xiang, Wenkai Wang, Zhenling Peng, Jianyi Yang   +3 more
wiley   +1 more source

Arginine Methylation Antagonizes TEAD3‐Mediated Repression to Promote Osteogenic Differentiation by Disrupting RUNX2‐Sequestrating Condensates

Advanced Science, EarlyView.
In the unmethylated state, TEAD forms stable, repressive condensates that sequester the osteogenic master regulator RUNX2. Arginine methylation of TEAD at R55 acts as a molecular brake, dissolving these condensates to release RUNX2 and activate the osteogenic program.
Lei Cao, Ruohui Han, Hui Xiong, Qian Li, Shaofei Tao, Xudong Wu, Dayong Liu   +6 more
wiley   +1 more source

Photochromism‐Driven Full Solar Spectrum Absorption for Efficient Photo‐Thermo‐Electric Conversion

Advanced Science, EarlyView.
After electron‐transfer photochromism, a black viologen‐based organic compound shows full solar spectrum absorption (250–2500 nm) and near‐infrared photothermal conversion efficiency (NIR‐PCE) >60%. Integrated with a thermoelectric generator, it outputs 1.17 V under 4 Suns irradiation, enough to drive a small fan via photo‐thermo‐electric conversion ...
Ning‐Ning Zhang, Lin‐Xu Liu, Zhen‐Yu Li, Yong‐Fang Han, Wen‐Wen Zi, Kong‐Gang Qu, Ming‐Sheng Wang, Yong Yan   +7 more
wiley   +1 more source

Microscale Mapping of Fiber Strain and Damage in Composite Wrinkled Laminates Using Computed Tomography Assisted Wide‐Angle X‐Ray Scattering

Advanced Science, EarlyView.
This study combines full‐field tomography with diffraction mapping to quantify radial (ε002$\varepsilon _{002}$) and axial (ε100$\varepsilon _{100}$) lattice strain in wrinkled carbon‐fiber specimens for the first time. Radial microstrain gradients (−14.5 µεMPa$\varepsilon \mathrm{MPa}$−1) are found to signal damage‐prone zones ahead of failure, which ...
Hoang Minh Luong, James Trevarthen, Igor Dolbnya, Wadwan Singhapong, Nicholas Pilato, Richard Butler, Jiraphant Srisuriyachot, Alexander J. G. Lunt   +7 more
wiley   +1 more source

Small and Simple Molecular Structure Based Thermally Stable Ruthenium Precursor in Advancing Ruthenium ALD Process for Scaled Interconnect Metallization

Advanced Science, EarlyView.
A thermally robust (≈400 °C), critically small‐size‐simple ligand structure ruthenium (Ru) precursor enables exceptional growth per cycle (≈1.28 Å cycle−1), short incubation (≈8 cycles), ultralow resistivity (8.65 µΩ cm) and outstanding substrate selectivity via atomic layer deposition (ALD) process at high temperatures, overcoming prior Ru‐ALD ...
Hideaki Nakatsubo, Debananda Mohapatra, Eun‐Soo Lee, Jeongha Kim, Iaan Cho, Masato Iseki, Toshiyuki Shigetomi, Ryosuke Harada, Sang‐Woong Na, Taehoon Cheon, Bonggeun Shong, Soo‐Hyun Kim   +11 more
wiley   +1 more source

Unveiling a Stable Polysulfide Transport Framework in a Fluorine‐Free Li‐S Batteries

Advanced Science, EarlyView.
This work unveils a lithium thiophosphate reaction pathway activated by trigger P2S5 units, which initiate fast self‐assembly and shift the system away from conventional Li‐S reactions. The reversible Li‐P‐S framework delivers stability, safety, and high energy density, while enabling a distinct solid‐liquid hybrid electrochemical mode that provides a ...
Feng‐Yu Wu, Po‐Wei Chi, Phillip M. Wu, Maw‐Kuen Wu   +3 more
wiley   +1 more source

Engineering Active Metal and Nonmetal Sites in Porous Structures of Metal‐Hydroxide Clusters for Enhanced D2/H2 Uptake and Separation

Advanced Science, EarlyView.
Two supramolecular assembly frameworks, constructed from metal‐hydroxide clusters, are synthesized via coordination‐driven self‐assembly mediated by Co2+ and Cu2+ metal centers. One of them demonstrates exceptional D2 and H2 uptake capabilities, achieving the second‐highest uptake capacity for D2.
Zhuozhou Xie, Zhu Zhuo, Zi‐Ang Nan, Qing Li, Wenlin Wu, Yunzhe Zhou, Zi‐Xiu Lu, Jin Liu, Luyao Liu, Wenjing Wang, Daqiang Yuan, You‐Gui Huang   +11 more
wiley   +1 more source