Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
PREdicting LNP In Vivo Efficacy (PRELIVE) framework enables the prediction of lipid nanoparticle (LNPs) organ‐specific delivery through dual modeling approaches. Composition‐based models using formulation parameters and protein corona‐based models using biological fingerprints both achieve high predictive accuracy across multiple organs.
Belal I. Hanafy +3 more
wiley +1 more source
Uncertainty and reward histories have distinct effects on decisions after wins and losses. [PDF]
Kalhan S +4 more
europepmc +1 more source
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley +1 more source
Considerations Regarding the Family Members in the Management of Patients with Familiar Hypercholesterolemia. [PDF]
Kotani K.
europepmc +1 more source
Trap‐Assisted Transport and Neuromorphic Plasticity in Lead‐Free 2D Perovskites PEA2SnI4
An artificial retina built from lead‐free layered perovskite (PEA)2SnI4 converts light input into a persistent photocurrent and sums successive flashes over time. Micro/nanocrystals integrated on electrodes act as synapse‐like pixels that perform temporal integration directly in hardware. This in‐sensor preprocessing merges detection and computation on
Ofelia Durante +17 more
wiley +1 more source
The learning curve of single-port extraperitoneal robotic radical prostatectomy: Initial experience and outcomes from a newly graduated fellowship-trained robotic surgeon. [PDF]
Hershenhouse JS +11 more
europepmc +1 more source
In MOCVD MoS2 memristors, a current compliance‐regulated Ag filament mechanism is revealed. The filament ruptures spontaneously during volatile switching, while subsequent growth proceeds vertically through the MoS2 layers and then laterally along the van der Waals gaps during nonvolatile switching.
Yuan Fa +19 more
wiley +1 more source
Machine learning-based risk of pulmonary embolism in stroke patients with lower extremity deep vein thrombosis construction and validation of a prediction model. [PDF]
Wu L +7 more
europepmc +1 more source
Bio‐Inspired Molecular Events in Poly(Ionic Liquids)
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley +1 more source

