Results 141 to 150 of about 194,517 (249)

The Potential of Zero Charge: An Interfacial Descriptor Governing Hydrogen Evolution Reaction on Bulk Metal Electrodes

open access: yesAdvanced Science, EarlyView.
This work establishes a dual‐descriptor framework incorporating hydrogen adsorption free energy and potential of zero charge, constructing a corrected 3D HER volcano plot. It reveals that surface charge and interfacial proton concentration jointly govern activity, beyond conventional 2D thermodynamic scaling relations. ABSTRACT While the Sabatier‐based
Yuefei Zhang   +6 more
wiley   +1 more source

Non‐Invasive Assessment of Perineural Invasion Density: A Novel Marker for Prognosis and Treatment Stratification in Prostate Cancer

open access: yesAdvanced Science, EarlyView.
This study establishes perineural invasion density (PNID) as a superior prognostic marker in prostate cancer, outperforming conventional perineural invasion in predicting biochemical recurrence and radiographic progression. Concurrent β–blocker use is associated with favorable outcomes exclusively in High–PNID patients. An MRI–based deep learning model
Bohao Liu   +20 more
wiley   +1 more source

Counter‐Halide‐Directed Ion‐Pair Passivation Enables High‐Performance Wide‐Bandgap Perovskites for Perovskite/Cu(In,Ga)Se2 Tandem Solar Cells

open access: yesAdvanced Energy Materials, EarlyView.
Counter‐halide engineering of fluorobenzylammonium surface passivators reveals bromide as the optimal partner for wide‐bandgap perovskites. FBz–Br effectively stabilizes halide‐vacancy‐related defects and undercoordinated Pb sites, suppresses non‐radiative recombination, and enhances surface hydrophobicity and thermal stability.
Huyen Tran   +17 more
wiley   +1 more source

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

open access: yesAdvanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy   +8 more
wiley   +1 more source

AS‐pHopt: An Optimal pH Prediction Model Enhanced by Active Site of Enzymes

open access: yesAdvanced Intelligent Discovery, EarlyView.
To address the low accuracy of enzyme optimal pH (pHopt) prediction, this study develops active site‐based pHopt (AS‐pHopt), a prediction model enhanced by active site information and pseudo‐label prediction. Integrating key structural and physicochemical features affecting enzyme pHopt, AS‐pHopt uses Evolutionary Scale Modeling (ESM)‐2 with active ...
Wenxiang Song   +6 more
wiley   +1 more source

A Scalable and Resource‐Efficient Pipelined p‐Computer for Probabilistic Ising Machines

open access: yesAdvanced Intelligent Systems, EarlyView.
(a) Block diagram of the portfolio optimization problem: given M assets, the goal is to determine the optimal weights w that maximize the expected return (based on the mean historical assets return u), while minimizing the risk, quantified by the assets covariance matrix S.
Deborah Volpe   +9 more
wiley   +1 more source

How cold is too cold? A theoretical analysis of the optimal trigger for index insurance for frost damage to crops

open access: yesAmerican Journal of Agricultural Economics, EarlyView.
Abstract Crop insurance is undoubtedly an extremely valuable element in protecting agricultural businesses, but in many cases standard indemnity‐based products have had very low uptake due to high transaction costs elevating premiums to unaffordable levels.
Amogh Prakasha Kumar   +2 more
wiley   +1 more source

Complete Pathway Refactoring and Combinatorial Biosynthesis of Anthracyclines for Modulation of Histone Eviction and DNA Damage Bioactivities

open access: yesAngewandte Chemie, EarlyView.
A synthetic biology platform was established for the complete refactoring of complex anthracycline biosynthetic pathways in Streptomyces coelicolor using standardized, chemically synthetic DNA parts. This modular construction enabled streamlined combinatorial biosynthesis, yielding novel analogs that decouple DNA damage from chromatin damage (histone ...
Rongbin Wang   +15 more
wiley   +2 more sources

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