Results 201 to 210 of about 3,524 (301)

Beyond Electrostatics: Anion‐π+ Orbital Hybridization Underpins High‐Performance Chloride Storage in Poly(arylamine) Organic Cathodes

Advanced Science, EarlyView.
The fundamental nature of anion storage in p‐type organic cathodes is elucidated using rigid poly(arylamine) frameworks. This study reveals a hybrid covalent‐ionic mechanism for anion‐π+ interactions, driven by synergistic orbital hybridization and electrostatic attraction.
Tiantian She, Jiena Weng, Jie Wang, Qiao Xi, Yangyang Zhang, Zijie Zhang, Zongqiong Lin, Wei Huang   +7 more
wiley   +1 more source

A local-global principle for nonequilibrium steady states. [PDF]

Proc Natl Acad Sci U S A
Calvert J, Randall D.
europepmc   +1 more source

Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design

Advanced Science, EarlyView.
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram, Mohit Chakraborty, Sai Mani Kumar Devathi, B. Pabitramohan Prusty, Rohit Batra   +4 more
wiley   +1 more source

The Lie Group Basis of Neuronal Membrane Architecture: Why the Hodgkin-Huxley Equations Take Their Form. [PDF]

Membranes (Basel)
Melendy RF, Blue DH.
europepmc   +1 more source

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

Advanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou, Qihang Zhen, Zexin Lv, Xinyue Cui, Suhui Wang, Minghua Hou, Zhan Zhou, Xiaogen Zhou, Guijun Zhang   +8 more
wiley   +1 more source

Experimental realization of logical elastic bits as qubit analogues in a nonlinear oscillator. [PDF]

Sci Rep
Mahmood KT, Faiaz AN, Hasan MA, Deymier PA, Runge K, Levine JA.   +5 more
europepmc   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

Advanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

6. The conundrum of regression, correlation, association, and agreement.

J Postgrad Med
Indrayan A.
europepmc   +1 more source

dynConfiR: An R package for sequential sampling models of decision confidence. [PDF]

Behav Res Methods
Hellmann S, Zehetleitner M, Rausch M.
europepmc   +1 more source

Unusual Thermally Induced Blueshift and Emission Amplification of Mn2+ Ions Enable Filter‐Free Luminescent Thermal Imaging

Advanced Science, EarlyView.
ABSTRACT The shift from point‐based thermal sensing to filter‐free thermal imaging requires luminescent thermometers that exhibit pronounced and thermally driven spectral changes within spectral regions matching the sensitivity profiles of the red, green and blue (RGB) channels of a digital camera.
Y. Abe, M. Szymczak, J. Zeler, L. Marciniak   +3 more
wiley   +1 more source