Results 171 to 180 of about 1,535,218 (306)

ML Workflows for Screening Degradation‐Relevant Properties of Forever Chemicals

open access: yesAdvanced 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

Synergistic Spin‐Polarization and Single‐Atom Engineering in Magnetic Heterojunctions for Efficient Solar Water Splitting

open access: yesAdvanced Science, EarlyView.
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren   +8 more
wiley   +1 more source

DC‐magnetometry Analytical Tool Driven by Spin Ordering Phenomena for Sensing Chemical Interactions at the Surface of Nanomaterials

open access: yesAdvanced Science, EarlyView.
The adsorption of AsV on akaganeite nanorods was found to provide a magnetic signature. A change in the surface spin order gave rise to a second peak in the zero‐field cooled curve. AsIII adsorption does not provide any change in the magnetic behavior of the sorbent.
Marco Sanna Angotzi   +11 more
wiley   +1 more source

Crystal Facet‐Polysaccharide Matching in CFS‐P Nanocrystals Drives Fungal Uptake, Vacuole Destruction, and Selective Antifungal Activity

open access: yesAdvanced Science, EarlyView.
Facet‐engineered PVP‐capped CuFeSe2 nanocrystals exhibit potent, selective antifungal activity by strongly binding cell‐wall mannan, enabling vacuolar entry and organelle disruption. High‐index facets show superior mannan affinity, validated by theoretical calculations and experiments. CFS‐P induces vacuolar cavitation, mitochondrial abnormalities, and
Zhaohui Wang   +10 more
wiley   +1 more source

Sustainable Materials Design With Multi‐Modal Artificial Intelligence

open access: yesAdvanced 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

Structural Insights Into Man9 Recognition by the HIV Antibody 2G12 Revealed by Paramagnetic NMR

open access: yesAdvanced Science, EarlyView.
The HIV gp120 glycoprotein displays Man9 oligomannose structures that are recognized by the neutralizing antibody 2G12. Detailed characterization of the binding epitope in solution is important for immunogen design but remains challenging, since the signals of the terminal mannoses from the three arms of Man9 (D1, D2, and D3) cannot be distinguished in
Adrián Silva‐Díaz   +7 more
wiley   +1 more source

Harnessing Phase Separation for the Development of High‐Performance Hydrogels

open access: yesAdvanced Science, EarlyView.
ABSTRACT Hydrogels are indispensable for the development of next‐generation bioelectronics, soft robotics, and biomedical devices, where their mechanical properties determine performance and reliability. Among strategies to enhance hydrogel mechanics, phase separation enables controlled heterogeneity resulting in gel networks that are reinforced by ...
Yue Shao   +3 more
wiley   +1 more source

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