Results 141 to 150 of about 214 (209)

Pyrazole‐Derived Antibacterial Compounds Effectively Treat Methicillin‐Resistant Staphylococcus Aureus Infections by Inhibiting Aspartate Transcarbamoylase

Advanced Science, EarlyView.
This study unveils a novel antibacterial mechanism against MRSA, in which the compound Py‐27 selectively targets and inhibits aspartate transcarbamoylase (ATCase), a key enzyme in pyrimidine synthesis. This inhibition disrupts DNA replication, induces oxidative damage, leading to potent bactericidal activity.
Xiaorong Yang, Xinyuan Cao, Lixia Dai, Feng Yang, Jing Wang, Yudong Ma, Tong Bu, Zile Gong, Xueyan Liu, Changcai Bai, Xiaolou Miao, Xiaofei Shang   +11 more
wiley   +1 more source

Development and Applications of a Magnetism‐Aware General‐Purpose Atomic Cluster Expansion Potential for the Fe‐O‐H Ternary System

Advanced Science, EarlyView.
Hydrogen‐driven iron oxide reduction, water‐iron corrosion, and hydrogen embrittlement of metallic iron share the same Fe‐O‐H chemistry. A general‐purpose Atomic Cluster Expansion potential covers this chemistry across the full concentration range with explicit Ising‐like treatment of magnetism.
Baptiste Bienvenu, Mira Todorova, Jörg Neugebauer, Dierk Raabe, Matous Mrovec, Ralf Drautz   +5 more
wiley   +1 more source

Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction

Advanced Science, EarlyView.
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen, Bapan Biswas, Apinya Ngoipala, Julia Wiktor, Ujjwal Pal, Shalini Singh   +5 more
wiley   +1 more source

Selective Catalytic Production of Urea: Unravelling the Pairwise Competition on p‐d Alloy Catalysts

Advanced Science, EarlyView.
Unraveling the complicated competition in urea electrosynthesis, this work investigates asymmetric p‐d alloys. We establish two stage‐specific descriptors, Anchoring Affinity and Coupling Propensity, to elegantly quantify thermodynamic bottlenecks.
Qingchao Fang, Yun Han, Md Tarikal Nasir, Fuyong Qin, Wanhu Tian, Hanqing Yin, Aijun Du   +6 more
wiley   +1 more source

Ferroelectric Catalysts in the Hydrogen Evolution Reaction: A Perspective

Advanced Science, EarlyView.
This perspective summarizes recent advances in ferroelectric (FE) catalysts for the hydrogen evolution reaction (HER). It first introduces HER fundamentals and FE mechanisms, then classifies FE catalysts into single‐phase, single‐atom‐modified, heterostructured, and other engineered types, with representative examples.
Rongxuan Lu, Weizhen Meng, Zhenxiang Cheng, Judy N. Hart, Michael Ferry, Sean Li, Wenxian Li   +6 more
wiley   +1 more source

NbOx Mott Memristor‐Based Oscillatory P‐trit for Ternary Potts Machine

Advanced Science, EarlyView.
A ternary Potts machine utilizing NbOx‐based probabilistic trits (p‐trits) is demonstrated for efficient combinatorial optimization. By leveraging the electro‐thermal switching dynamics of NbOx memristors, this architecture generates three‐state stochastic fluctuations.
Hakseung Rhee, Seoeun Jang, Tae Wook Go, Woojoon Park, Gwangmin Kim, Do Hoon Kim, Hanchan Song, Younghyun Lee, Junmo Kang, Daehee Kim, Kyung Min Kim   +10 more
wiley   +1 more source

Programmable Chaotic Suspension Electrolysis for Scalable Manufacturing of Vacancy‐Tunable Electrolytic MnO2

Advanced Science, EarlyView.
Programmable chaotic suspension electrolysis bridges laboratory synthesis and industrial manufacturing of high‐performance MnO2 cathodes. This scalable strategy enables tunable oxygen vacancies and a robust γ/β tunnel framework, delivering superior electrochemical performance and thermal stability.
Zhihao Wu, Jie Yang, Yidan Fan, Wentao Li, Jiaxing Li, Jing Guo, Chunbiao Li, Lei Shi, Jiaoyuan Zhang, Xingna Cai, Zukang Chen, Qian Zhang, Jun Du, Changyuan Tao, Qizhi Chen, Guocan Zheng, Zuohua Liu   +16 more
wiley   +1 more source

Precise Management of n‐Value Distribution at the 2D/3D Interface Enabling Efficient Wide‐Bandgap Perovskite Solar Cells

Advanced Science, EarlyView.
This study elucidates the phase transition pathway of surface‐engineered perovskite films. During spin‐coating, n = 1 2D perovskite dominantly forms, while subsequent annealing drives OA+ release and induces conversion to higher n‐value 2D phases.
Yajie Yang, Jiaxin Ha, Yang Zhang, Yunfan Wang, Ting Jiang, Jingquan Zhang, Lili Wu, Wenwu Wang, Guanggen Zeng, Baoyan Fan, Mohammad Abdul Halim, Xia Hao, Dewei Zhao   +12 more
wiley   +1 more source

Unveiling Mechanisms of SEI Formation and Sodium Loss in Sodium Batteries via Interface Reactor Sampling

Advanced Science, EarlyView.
An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu, Ziliang Wang, Zherui Chen, Jianchun Sha, Fengzijun Pan, Pingyang Zhang, Yinghe Zhang   +6 more
wiley   +1 more source

Flat Bands Induced by Non‐Collinear Antiferromagnetism in CoBi2Te4

Advanced Science, EarlyView.
Flat bands emerge at the edges of intrinsically non‐collinear antiferromagnetic CoBi2Te4 two‐septuple layers through the interplay of spin–orbit coupling–driven band inversion and non‐collinear antiferromagnetism, uncovering a previously unexplored mechanism for flat‐band formation and opening new opportunities for strongly correlated quantum states ...
Ziyuan Zhao, Yuefeng Yin, Jinxing Gu, Mark T. Edmonds, Nikhil V. Medhekar   +4 more
wiley   +1 more source