Results 131 to 140 of about 174,118 (259)

The Interoperability Challenge in DFT Workflows Across Implementations

open access: yesAdvanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen   +13 more
wiley   +1 more source

Microenvironment Engineering as a Design Principle for Suppressing Catalyst Metal Loss

open access: yesAngewandte Chemie, EarlyView.
Under ionomer‐containing microenvironments, nonporous carbon supports enhance the retention of dissolved platinum ions, whereas porous carbon supports promote pore‐confined redeposition and mitigate net platinum loss. ABSTRACT Stability losses in platinum electrocatalysts arise from dissolution, redeposition, and restructuring processes that are ...
Sumin Lim   +4 more
wiley   +2 more sources

Reproductive stages in lowbush blueberry (Vaccinium angustifolium) occur earlier with increasing temperature

open access: yesAmerican Journal of Botany, EarlyView.
Abstract Premise Climate change is altering the timing of many plant phenological events, yet most studies focus on flowering, with less attention given to later reproductive stages such as fruit development and ripening. Vaccinium angustifolium (lowbush blueberry) is an important perennial berry species that may be sensitive to these changes.
Jenna Floyd   +5 more
wiley   +1 more source

Proton‐Switching Regulates Interfacial Iodine Chemistry for Long‐Life Zinc–Iodine Batteries

open access: yesAngewandte Chemie, EarlyView.
A proton‐switchable imine‐linked framework is developed to dynamically regulate interfacial iodine chemistry in aqueous Zn–I2 batteries, where reversible protonation/deprotonation switches the host affinity between iodide and polyiodide species. This state‐dependent regulation suppresses shuttle‐induced side reactions while preserving fast iodine redox
Feifei Wang   +14 more
wiley   +2 more sources

iCRCexp: An Integrative Database for Colorectal Cancer-Associated Gene Expression Profiles. [PDF]

open access: yesCancer Inform
Yuan Y   +8 more
europepmc   +1 more source

Milestone Attainment in Young Children With Arthrogryposis Multiplex Congenita: Developmental Profile and Associated Factors

open access: yesAmerican Journal of Medical Genetics Part C: Seminars in Medical Genetics, EarlyView.
ABSTRACT Evidence on developmental milestones in children with arthrogryposis multiplex congenita (AMC) under the age of five is scarce. This multisite cross‐sectional study described developmental status and examined factors associated with milestone attainment in 143 children aged 0–66 months from a pediatric AMC Registry.
Ahlam Zidan   +13 more
wiley   +1 more source

Mapping Proton‐Coupled Electron Transfer With Real Space Coordinates

open access: yesAngewandte Chemie, EarlyView.
We explore how proton‐coupled electron transfer (PCET) proceeds on a potential energy surface defined by two coordinates for proton and electron transfer that are obtained from quantum chemical calculations. The two‐dimensional maps for PCET show distinct characteristics for concerted proton–electron transfer and hydrogen atom transfer.
Adam Šrut   +4 more
wiley   +2 more sources

Serum Short-Chain Fatty Acids in Colorectal Cancer: Diagnostic Performance and Decoupling from Gut Producer Abundance. [PDF]

open access: yesCells
Vicente-Valor J   +10 more
europepmc   +1 more source

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