Results 241 to 250 of about 35,918 (305)

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice. [PDF]

Small Methods
Re Fiorentin M, Bianchi MG, Christiansen MAH, Ciotti A, Risplendi F, Wang W, Jónsson EÖ, Jónsson H, Cicero G.   +8 more
europepmc   +1 more source

MetalCenter‐Dependent Selectivity Divergence in MN4 Single‐Atom Catalysts for Aerobic HMF Oxidation

Advanced Science, EarlyView.
Two single‐atom catalysts with M‐N4 configurations (FeN4 and CoN4) were developed for selective HMF oxidation. FeN4 achieves 93.9% selectivity toward FFCA via superoxide anions (O2•−), while CoN4 preferentially produces FDCA through hydroxyl radicals (•OH). DFT calculations reveal that distinct adsorption energies and charge redistribution at the metal
Haoyu Wang, Zhilong Ye, Weihao Wang, Zhi Hu, Qing Tian, Jie Gao, Lianbing Zhang   +6 more
wiley   +1 more source

Conscious simultaneity with continuous motion: a measure-theoretic resolution of the hard problem. [PDF]

Front Hum Neurosci
Sanfey J.
europepmc   +1 more source

Biolipid Film‐Fused Electrochemiluminescence for Multipurpose In Situ Bioassays

Advanced Science, EarlyView.
An ECL‐emissive, membrane‐interactive scaffold was fabricated, and facilely fused with natural and non‐native phospholipids into multifactorial mimicries of cytomembranes and vesicles for in vitro representative membrane‐process probing. Such a biointerface‐based, state‐sensitive ECL paradigm not only pinpointed proximal phenomena, including channeling
Jialiang Chen, Bin Li, Yingying Wang, Fulin Zhu, Wenxuan Yang, Xuanyu Fu, Tiantian Man, Qiuyue Wu, Kewei Ren, Shengyuan Deng   +9 more
wiley   +1 more source

Conformational Dynamics of Na⁺-Pumping NADH-Quinone Oxidoreductase during Na⁺ Translocation from AlphaFold-Facilitated Markov State Modeling. [PDF]

J Chem Inf Model
Seki T, Ohnuki J, Okazaki KI.
europepmc   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

Advanced Science, EarlyView.
Critical mineral scarcity, high embodied carbon, and persistent pollution from materials processing intensify the need for sustainable materials design. This review frames the problem as multi‐objective optimization under heterogeneous, high‐dimensional evidence and highlights multi‐modal AI as an enabling pathway.
Tianyi Xu, Tianshuo Wei, Yan Ge, Bo Peng, Yue Li, Maolin Wang, Peng Wen, Chao Yang, Ye Wei   +8 more
wiley   +1 more source

The configurational length scale in the self-assembly and modulation of higher-order transient protein structures. [PDF]

Proc Natl Acad Sci U S A
Haselwandter CA, MacKinnon R.
europepmc   +1 more source

Dynamic Etching‐Induced Cl‐Terminated Ti3C2Clx/Ti3ZnC2 Heterostructure for Ammonia Electrosynthesis and Zinc‐Nitrogen Batteries

Advanced Science, EarlyView.
A stable Ti3C2Clx/Ti3ZnC2 heterostructure, fabricated by dynamic etching, exhibits outstanding electrocatalytic NRR activity (NH3 yield: 20.1 µg h−1 mg−1, FE: 38.1%) in alkaline media. The corresponding Zn‐N2 battery achieves a peak power density of 36.5 µW cm−2 and an NH3 yield of 13.1 µg h−1 mg−1, providing an advanced strategy for NH3 and ...
Yu Wang, Ying Sun, Liqun Ye, Jichi Liu, Hui Li, Yang Fu, Fengzhan Sun, Jieshan Qiu, Chang Yu, Tianyi Ma   +9 more
wiley   +1 more source

An analysis method of local entropy changes from atomic fluctuations. [PDF]

PLoS One
Ishii T, Kojima T, Yasuda Y, Fujimoto K.
europepmc   +1 more source

Schooling Trajectories and the Development of Brain Dynamics: A Comparative Study of Montessori and Traditional Education

Advanced Science, EarlyView.
We investigate whether Montessori and traditional schooling systems shape the developmental trajectory of large‐scale brain dynamics in different ways. We quantify the arrow of time (“non‐reversibility”) in neural activity during resting state and movie‐watching, revealing distinct maturational patterns.
Elvira del Agua, Anira Escrichs, Yonatan Sanz Perl, Morten L. Kringelbach, Adele Diamond, Solange Denervaud, Gustavo Deco   +6 more
wiley   +1 more source