AIMNet2‐NSE: A Transferable Reactive Neural Network Potential for Open‐Shell Chemistry
AIMNet2‐NSE enables accurate modeling of open‐shell radical chemistry through neural spin‐charge equilibration (NSE). This machine learning interatomic potential predicts radical reaction energies, barriers, and spin‐crossing events with near‐DFT accuracy while offering five orders of magnitude computational speedup, making high‐throughput exploration ...
Bhupalee Kalita +7 more
wiley +2 more sources
One‐Year Outcome of Japanese Patients With Atrial Fibrillation: Insights From APHRS‐AF Registry
A total of 794 patients recruited from 28 large cardiovascular centers in Japan were prospectively investigated. Patients were relatively young, had low CHADS2 scores, and relatively few comorbidities such as hypertension. Majority of the patients were scheduled for catheter ablation. Short‐term prognosis was found to be extremely favorable.
Kenji Yodogawa +38 more
wiley +1 more source
ABSTRACT Problem NK‐cell dysfunction in endometriosis is suggested to contribute to the survival of ectopic endometrial tissue. However, the underlying causes of this impairment remain unclear. NK cells are divided into: CD56+bright, which produce high amounts of cytokines but have low or no cytotoxic ability, and CD56+dim, which are mainly cytotoxic ...
Emma Björk +4 more
wiley +1 more source
Abstract As our understanding of abiotic factors continues to grow, along with insights into the biological traits of organisms, so too does the sophistication of studies exploring global diversification and spatio‐temporal distribution patterns. The global distribution of coastal Cafius rove beetles, combined with the endemic distribution patterns ...
Kee‐Jeong Ahn, Jeong‐Hun Song
wiley +1 more source
ABSTRACT Riparian ecosystems are vital interfaces between aquatic and terrestrial environments but are increasingly impacted by anthropogenic pollution. In these systems, merolimnic insects serve as crucial ecological links, occupying aquatic habitats as larvae and terrestrial environments as adults, thus being an essential food source in both ...
Nina Röder +6 more
wiley +1 more source
Antibiotic‐mediated disruption of commensal microbiota increases corneal cholesterol sulfate (CS) production through upregulation of SULT2B1, resulting in impaired corneal epithelial wound healing. Elevated CS suppresses neutrophil recruitment and epithelial cell migration via inhibition of the DOCK2–Rac pathway.
Mamoru Ogawa +6 more
wiley +1 more source
Comparative Study of Predicting Radical CH Functionalization Sites in Nitrogen Heteroarenes Using a Radical General-Purpose Reactivity Indicator and the Radical Fukui Function. [PDF]
Barrera Y, Anderson JSM.
europepmc +1 more source
Mesoionic N‐Heterocyclic Olefins, Imines, Thiones, Phosphinidenes and Their Application in Catalysis
This minireview covers recent advances in the synthesis, reactivity, and metal‐free catalytic uses of mesoionic N‐heterocyclic olefins (mNHOs), imines (mNHIs), thiones (mNHTs), and phosphinidenes (mNHPs). Abstract Transition metal compounds are widely known for their ability to activate small molecules and are excellent catalysts for a wide range of ...
Subir Maji +3 more
wiley +1 more source
Correction: Ikuta et al. Physical Function Trajectory among High-Functioning Long-Term Care Facility Residents: Utilizing Japanese National Data. <i>Geriatrics</i> 2024, <i>9</i>, 123. [PDF]
Ikuta K +5 more
europepmc +1 more source
Acinetobacter lwoffii Cellulitis in an Immunocompromised Patient With Decompensated Cirrhosis, Diabetes Mellitus, and Psoriasis Vulgaris: A Case Report. [PDF]
Sakakiyama M +3 more
europepmc +1 more source

