The Fe–N–C single-atom catalyst represents a promising candidate for promoting the oxygen reduction reaction (ORR), which is crucial for fuel cell applications; yet, identifying optimal modification strategies to enhance its activity and stability remains challenging. Herein, the modulation of Fe–N–C catalysts via in-plane heteroatom doping and axial coordination is systematically investigated using integrated density functional theory (DFT) and machine learning (ML) approaches. The analysis reveals that axial ligands have a more profound influence on ORR performance than in-plane dopants, primarily by modulating the Fe dz2 orbital and weakening *OH adsorption. Through interpretable descriptors extracted from ML models, the key electronic and geometric properties governing catalyst behavior are identified, and several novel dual-modified candidates with enhanced activity relative to pristine Fe–N–C are subsequently predicted and validated by DFT calculations. This work provides a unified mechanistic and data-driven framework for accelerating the design of high-performance Fe–N–C ORR electrocatalysts.

Using a simple physical model, researchers at the University of Osaka, The National Institute of Advanced Industrial Science and Technology (AIST), RIKEN, and the Institute of Science Tokyo revealed how superionic conduction emerges when mobile ions undergo sublattice melting while the surrounding crystal framework remains intact. Near this transition, ions move cooperatively in spatially heterogeneous, string-like patterns, aided by anharmonic lattice motion. The findings identify general physical principles connecting lattice softness and collective transport, potentially guiding more efficient development of solid electrolytes for batteries and energy-conversion technologies.

Detecting the overall characteristics of culture medium components as fluorescence patterns and evaluating quality using machine learning

A meteorite that crashed through the roof of a New Jersey home has revealed evidence of ancient salt-rich brines on its parent asteroid, offering a rare glimpse into the chemistry of the early solar system. Preserved in pristine condition thanks to the homeowner's quick actions, the Hillsborough meteorite contains rare minerals and complex organic compounds that provide new clues about how water-rich asteroids evolved—and how they may have delivered some of the building blocks of life to the early Earth.

Researchers from the Institute of Industrial Science, The University of Tokyo have developed ultrathin, stretchable facial electrodes that are effectively invisible and cannot be felt when worn. The electrodes reduce the visual discomfort and psychological burden associated with conventional facial sensors, allowing eye movements, facial muscle activity, and brain activity to be measured under more natural conditions. The electrodes could allow future technology to be operated with subtle facial and eye signals.

Increasing atmospheric carbon dioxide (CO₂) levels pose a significant global challenge, making the assessment of natural carbon sinks, such as forests, ever more critical. New research conducted in the Garhwal region of the Indian Himalayas investigates how different forest types contribute to carbon storage across varying altitudes. The investigation by Arvind Singh, Vinod Prasad Khanduri, and colleagues identifies distinct carbon partitioning strategies, where high-altitude conifer forests excel at storing carbon in biomass, while lower-elevation mixed broadleaf forests are superior in stabilizing soil carbon. This understanding is vital for developing effective climate mitigation plans.

In an innovative gas fermentation process, reducing the concentration of carbon dioxide was found to significantly improve microbial production of the biodegradable plastic, poly[(R)-3-hydroxybutyrate]. Researchers found that hydrogen-oxidizing bacteria grown under safe, nonflammable gas conditions enable more efficient production of biodegradable plastic at lower CO₂ levels. The study provides a promising strategy for sustainable carbon recycling and efficient CO₂ utilization.

WashU Medicine researchers show in mice that their technique to designing medications, in which modular components of anti-cancer drugs are administered separately and assembled in the body using what's known as click chemistry, is more effective than standard treatments at targeting and shrinking tumors.