Results 251 to 260 of about 1,053,365 (324)

<i>Ab initio</i> quantum transport investigation of Sub-3 nm β-InSe transistors for future high-performance nanoelectronics. [PDF]

RSC Adv
Ghafoor M, Khan R, Din SU, Safeen A, Li Q, Yang X, Yang Z, Lu J.   +7 more
europepmc   +1 more source

Cryo‐EM Structures Reveal the Molecular Basis of Asymmetric Allosteric Activation by MMOB in the Hydroxylase of Soluble Methane Monooxygenase

Advanced Science, EarlyView.
Cryo‐EM analysis reveals an asymmetric MMOH–MMOB complex with distinct protomers, where MMOB binding triggers structural rearrangements from the surface to the active site. This conformational asymmetry shortens the Fe···Fe distance to 2.7 Å in one protomer, forming a geometry suitable for O2 activation and supporting a sequential catalytic mechanism ...
Yunha Hwang, Bumhan Ryu, Soyeon Park, Dong‐Heon Lee, Hyo Jin Hong, Jeong‐Geol Na, Chul Gyu Song, Hyun Goo Kang, Edwin Pozharski, Seung Jae Lee   +9 more
wiley   +1 more source

New pathways to high-pressure hydrogen enabled by fullerane vibrational modes: an <i>ab initio</i> study. [PDF]

RSC Adv
Gebac LC, Bercu V.
europepmc   +1 more source

Direct Observation of Electric‐Field‐Driven Phase Transitions Associated with Energy Storage in Antiferroelectric Films

Advanced Science, EarlyView.
The electric‐field‐driven antiferroelectric‐to‐ferroelectric phase transition in epitaxial PbZrO3 films is directly visualized by in situ aberration‐corrected scanning transmission electron microscopy. A sequential transition pathway involving an orthorhombic ferrielectric phase and a monoclinic ferroelectric phase, ultimately stabilizing into a ...
Yan‐Peng Feng, Mei‐Xiong Zhu, Ru‐Jian Jiang, Yu‐Jia Wang, Yun‐Long Tang, Yin‐Lian Zhu, Xiu‐Liang Ma   +6 more
wiley   +1 more source

Ab initio quantum many-body description of superconducting trends in the cuprates. [PDF]

Nat Commun
Cui ZH, Yang J, Tölle J, Ye HZ, Yuan S, Zhai H, Park G, Kim R, Zhang X, Lin L, Berkelbach TC, Chan GK.   +11 more
europepmc   +1 more source

Mechanisms of Aristolochic Acid Resistance in Specialist Butterflies and Evolutionary Insights for Potential Protective Pathways

Advanced Science, EarlyView.
The study provides an extreme example of insect adaptation to highly toxic defenses of host plants, and investigates the complex strategies to resist carcinogenic aristolochic acids, including physical isolation, metabolic detoxification, and DNA repair.
Yang Luan, Yubo Zhang, Jingjing Li, Jianqing Zhu, Yuyang Lei, Yushi Hu, Zhenqiang Xin, Tianpei Xie, Jiang Zheng, Yuanyuan Lin, Jingjing Shen, Yiyi Cao, Xinyue You, Jing Xi, Jiaying Wu, Weiying Liu, Xinyu Zhang, Yuanting Zheng, David J. Lohman, Leming Shi, Wei Zhang   +20 more
wiley   +1 more source

Ab Initio Insights into Zinc Dialkyldithiophosphate Linkage Isomers and Oxidative Degradation: Implications for Tribology. [PDF]

ACS Appl Nano Mater
Benini F, Restuccia P, Pedretti E, Righi MC.   +3 more
europepmc   +1 more source

H⁺ Exchange‐Driven ppb‐Level and High‐Selective Formaldehyde Detection at Room Temperature for Environmental and Clinical Applications

Advanced Science, EarlyView.
This article presents an innovative room‐temperature formaldehyde sensor based on H⁺ exchange method, achieving ppb‐level detection limit and exceptional selectivity. The study highlights its practical potential for real‐time environmental monitoring and clinical diagnostic applications.
Lubing Cai, Mengyang Pang, Zhaosong Liu, Yanfei Li, Jiani Li, Zhaorui Zhang, Fengshuang Zheng, Chao Li, Ang Zheng, Xuemin Zhang   +9 more
wiley   +1 more source

Designing Novel InhA Inhibitors for Antituberculosis Agents Using ab Initio Fragment Molecular Orbital Calculations. [PDF]

ACS Omega
Pornprom T, Pakamwong B, Sukchit D, Yuguchi M, Nagura Y, Sabishiro H, Chimura N, Punkvang A, Thongdee P, Suttisintong K, Kittakoop P, Kurita N, Pungpo P.   +12 more
europepmc   +1 more source

Wafer‐Scale Bandgap‐Tunable MoS2/PbS Phototransistors Enabled by Solution Processing

Advanced Science, EarlyView.
This work advances bandgap‐tunable MoS2/PbS phototransistors by introducing lateral heterojunctions, which enable superior tunable bandgap (1.24–0.61 eV) via Type‐II alignment. Plasma‐enhanced solution processing ensures uniform 4‐inch wafer‐scale fabrication with 97% yield.
Ziheng Tang, Chengqian Cui, Xiaoli Jing, Rui You, Mingjun Zhang, Jing Xu   +5 more
wiley   +1 more source