Advanced Science, EarlyView.A one‐step, asymmetric reductive coupling of alkynes and oxa‐ and aza‐bicyclic olefins using a cobalt/photoredox catalytic system through desymmetrization. ABSTRACT Bicyclo[2.2.1]heptane frameworks represent a privileged structural motif prevalent in numerous natural products and bioactive molecules.
Subhankar Pradhan +5 more
wiley +1 more source
An integrative bioinformatics framework for functional annotation and prioritization of hypothetical proteins in Bacillus thuringiensis relevant to biological pest control. [PDF]
Braz J MicrobiolMachado V +3 more
europepmc +1 more source
ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals
Advanced Science, EarlyView.The environmental persistence of per‐ and polyfluoroalkyl substances (PFAS) necessitates efficient remediation strategies. This study presents physics‐informed machine learning workflows that accurately predict critical degradation properties, including bond dissociation energies and polarizability.
Pranoy Ray +3 more
wiley +1 more source
Do delta waves in the receiver's brain explain slow tempos of animal communication signals? [PDF]
PLoS BiolXu M, Kalra L.
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 +8 more
wiley +1 more source
Light‐Imprinted Chirality in Nanomaterials: From Principles to Applications
Advanced Science, EarlyView.Light‐induced chirality represents a transformative paradigm for fabricating chiral nanostructures. This review provides a comprehensive framework encompassing light‐based strategies for imprinting and tuning chirality in nanomaterials, which guides researchers in harnessing light to create next‐generation functional materials.
Xinru Jin +3 more
wiley +1 more source
Beyond Passive Substituents: Tosyl-Directed Self-Templation Enables Selective Pillar[4 + 1]arene Formation and Topology Switching. [PDF]
J Am Chem SocRuengsuk A +8 more
europepmc +1 more source
Diverse Landscape of Tunable Magnetic, Topological, and Ferroelectric States in 2D Ti3Se3Te2
Advanced Science, EarlyView.Ti3Se3Te2 emerges as a multifunctional 2D van der Waals platform. The monolayer is a dynamically stable ferromagnetic quantum anomalous Hall insulator. In bilayers, two stacking configurations yield distinct phases: AA‐stacking hosts an altermagnetic quantum spin Hall insulator, while AA′‐stacking exhibits three‐state in‐plane ferroelectricity ...
Jiangtao Yu +5 more
wiley +1 more source
Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced Science, EarlyView.A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
PathTIGR: A pathway topology-informed graph representation learning framework for immunotherapy response prediction. [PDF]
Sci AdvLi X +8 more
europepmc +1 more source