Results 231 to 240 of about 2,194,014 (300)

A Site‐Aware Representation Learning Framework For Unified Molecular Interaction Modeling and Generative Design

open access: yesAdvanced Science, EarlyView.
MolDBG is a site‐aware, sequence‐only framework that unifies drug‐target affinity prediction, binding‐site identification, and affinity‐conditioned molecular generation for structured proteins. Guided by multi‐task binding‐site supervision, it aligns interaction‐critical residues before learning drug‐target representations and simultaneously infers ...
Gang Luo   +6 more
wiley   +1 more source

From Fluoride Removal to Interfacial Reactivity Enhancement: Functionalized La3+‐Crosslinked B/CuO Energetic Microspheres

open access: yesAdvanced Science, EarlyView.
A fluoride adsorption‐functionalization strategy directly couples fluoride wastewater remediation with combustion performance enhancement of B/CuO energetic microspheres. Fluoride captured from wastewater is retained within the microspheres without adsorbent regeneration or disposal, simultaneously achieving pollutant removal and enhanced energetic ...
Hongbiao Huo   +6 more
wiley   +1 more source

Origin of Enhanced Efficiency and Reduced Roll‐Off in Organic Light‐Emitting Diodes Based on Pt(II) Complexes

open access: yesAdvanced Science, EarlyView.
Controlled Pt–Pt fine structure in square‐planar Pt(II) complexes governs metal–metal‐to‐ligand charge‐transfer (MMLCT) state formation, exciton dynamics, and organic light‐emitting diode performance. Short Pt–Pt contacts in Pt(fppz)2 enable coherent metal–metal coupling, sub‐microsecond emission and an external quantum efficiency of 29%, whereas ...
Atul Shukla   +15 more
wiley   +1 more source

Atmospheric Water Harvesting Through Polymer Hydrogel Sorbents: Materials Chemistry, Design Strategies, and Applications

open access: yesAdvanced Science, EarlyView.
Polymer‐based hydrogels have emerged as promising materials for atmospheric water harvesting (AWH) due to their high water affinity, tunable network structure, and excellent moisture adsorption‐desorption performance. Functional hydrogel systems enable efficient water capture and controlled release under low‐energy conditions, offering a sustainable ...
Swagata Datta   +6 more
wiley   +1 more source

Integrated Analysis of Serotonin-Related Biomarkers in Thoracic Aortic Aneurysm Based on Machine Learning and Single-Cell Sequencing Data. [PDF]

open access: yesBiomedicines
Zhu S   +11 more
europepmc   +1 more source

Design Rules for Quantitative Control of Intragrain Planar Defects in Halide Perovskites

open access: yesAdvanced Science, EarlyView.
Dose‐budgeted electron microscopy reveals the design rules governing intragrain planar defects in halide perovskites: {112}t ferroelastic twins proliferate with increasing tetragonality and grain size, whereas {111}c twins and stacking faults emerge as the lattice approaches cubic symmetry.
Byeongjun Gil   +3 more
wiley   +1 more source

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