Results 221 to 230 of about 1,604 (278)

Artificial Intelligence Tools for Carbon Nanotube Research: Opportunities From Synthesis to Applications

open access: yesCarbon and Hydrogen, EarlyView.
Artificial intelligence tools are reshaping carbon nanotube research by connecting synthesis, characterization, and application‐oriented design. This review outlines how supervised learning, deep learning, Bayesian optimization, and large language models accelerate data extraction, experiment planning, and structure–property discovery for carbon ...
Yanlong Zhao   +6 more
wiley   +1 more source

Machine Learning Paradigm for Advanced Battery Electrolyte Development

open access: yesCarbon Energy, EarlyView.
Electrolyte materials determine ion transport kinetics within the bulk and interphases, ultimately influencing the performance of battery systems. As data‐driven paradigms increasingly reshape materials discovery, this review provides an application‐oriented exploration of the intersection between machine learning and electrolyte science. By evaluating
Chang Su   +4 more
wiley   +1 more source

Solvent‐Driven Conformational Landscapes of a Tetradentate Schiff Base Ligand and Its Metal Complexes: A Genetic Algorithm–Guided VCD Investigation

open access: yesChemistry – A European Journal, EarlyView.
Solvent effects: vibrational circular dichroism (VCD) revealed pronounced solvent‐induced conformational shifts for a tetradentate salen ligand in CDCl3, a solvent generally considered benign. Contrary to the DFT prediction of a single dominant conformer family, quantum cluster growth together with the genetic algorithm guided VCD analysis uncovered ...
Amanda Nhi Tran   +9 more
wiley   +1 more source

Global directions of change in moral norms: a test of the moral argument theory. [PDF]

open access: yesR Soc Open Sci
Strimling P   +4 more
europepmc   +1 more source

Tetrazine Ligation in Living Systems: Beyond Fast Kinetics to Effective Bioorthogonality

open access: yesChemistry – A European Journal, EarlyView.
Rapid reaction kinetics (k2) alone do not ensure successful tetrazine ligation in living systems. This review introduces ‘effective orthogonality’—focusing on chemical survival, availability, and encounter—as a practical framework. We highlight how bottlenecks shift from cellular sinks to in vivo delivery limits, offering design strategies for reliable
Junhyeong Yim   +3 more
wiley   +1 more source

The Role of Iron‐Hyponitrite Intermediates in Biology and Insights From Synthetic Model Complexes

open access: yesChemistry – A European Journal, EarlyView.
Despite the difference in active site architecture, NO reduction by different NOR enzymes is expected to be linked by a common intermediate: hyponitrite (N2O22−). However, experimentally, very little is known about the coordination chemistry of iron with hyponitrite and the expected Fe‐hyponitrite intermediates.
Michael O. Lengel, Nicolai Lehnert
wiley   +1 more source

Random forest regression for catalyst performance prediction and validation of tri‐reforming of methane (TRM)

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract Carbon dioxide‐reduced hydrogen can be synthesized through various methods such as dry‐reforming (DRM), steam reforming (SMR), and partial oxidation (POX). Tri‐reforming of methane (TRM) is a promising technology which combines all the above‐mentioned processes for the simultaneous production of hydrogen and syngas with high energy efficiency.
Paulo A. L. de Souza   +3 more
wiley   +1 more source

Stability of Viscous Three‐Dimensional Stratified Couette Flow via Dispersion and Mixing

open access: yesCommunications on Pure and Applied Mathematics, EarlyView.
ABSTRACT This article explores the stability of stratified Couette flow in the viscous 3d$3d$ Boussinesq equations. In this system, mixing effects arise from the shearing background, and gravity acts as a restoring force leading to dispersive internal gravity waves.
Michele Coti Zelati   +2 more
wiley   +1 more source

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