Trade-Off between Adsorption and Regeneration in Functional Metal-Organic Frameworks for Atmospheric Water Harvesting: A Multiscale Modeling Approach. [PDF]
Arjmandi M, Khayet M, Matsuura T.
europepmc +1 more source
ABSTRACT Translating dynamic liquid‐liquid phase separation into robust solid‐state architectures remains a challenge in materials engineering. Here, we report a composition‐driven interfacial assembly strategy that couples supramolecular coacervation with metal‐phenolic coordination to engineer tunable fungicide carriers.
Rui Zhang +7 more
wiley +1 more source
Unravelling the Enantioselective Mechanism of Benzylsuccinate Synthase: Insights into Anaerobic Hydrocarbon Degradation through Multiscale Modeling and Microkinetics. [PDF]
Szaleniec M +3 more
europepmc +1 more source
In this work, we demonstrated a robust 2D MoS2 based iontronic memtransistor of planar architecture operated under the influence of an electrical double layer with versatile performance and applications, including pinched hysteresis nature of transfer curve, analogue channel conductance tuning, low‐voltage operation, logic‐gate operation, classical ...
Puranjay Saha +2 more
wiley +1 more source
Alkali Cations Promote CO<sub>2</sub> Electroreduction on Cu(100) Surfaces under Acidic Conditions by Suppressing Surface Hydrogen Passivation: A Multiscale Modeling Perspective. [PDF]
Ye K +4 more
europepmc +1 more source
An ultrafast (2‐minute), gas‐free chemical pre‐sodiation strategy using Na‐benzophenone is developed to compensate for initial sodium loss in calcium vanadate (CaV8O20). Driven by the Ca2+ ‘spectator effect’, the framework enables highly reversible, quasi‐zero‐strain solid‐solution sodium storage, explicitly bypassing destructive conversion reactions ...
Neetu Bansal +7 more
wiley +1 more source
Multiscale modeling of the spatial structure of stem cells in neuroblastoma patient-derived tumoroids reveals a critical role for a short-range diffusive process. [PDF]
Nguyen TNT +7 more
europepmc +1 more source
A nuclear‐pore‐inspired nested dual‐loop architecture redistributes electromagnetic energy through coupled transport, confinement, and dissipation pathways. Integrated with Co/Fe3O4 dual‐magnetic composites and topology optimization, the 11‐mm‐thick absorber delivers continuous 2–40 GHz attenuation, raises finite‐band structural utilization to 82%, and
Shaokang Liu +6 more
wiley +1 more source
Integrating Machine Learning with Hybrid and Surrogate Models to Accelerate Multiscale Modeling of Acute Respiratory Infections. [PDF]
Korzin A, Koshkareva M, Leonenko V.
europepmc +1 more source
STWave transforms massive microscopic‐resolution spatial transcriptomics into interpretable fine‐scale tissue maps through patch‐wise inference, wavelet‐based multi‐scale encoding, and dual‐domain reconstruction. It reduces noise while preserving weak spatial signals, enabling efficient analysis of 6 40 000 spots of 2.47 GB GPU memory and revealing ...
Tao Jiang +9 more
wiley +1 more source

