Strategic modulation of heterocyclic donors in binaphthyl acrylonitrile-based hole transport materials for perovskite solar cells: a DFT and machine learning investigation. [PDF]
Shafiq I +6 more
europepmc +1 more source
ABSTRACT Background Ischemic stroke, a major cause of mortality and long‐term disability, results from the abrupt cessation of cerebral blood flow due to vascular occlusion or rupture. Icosapent Ethyl (EPA‐EE), approved for hypertriglyceridemia, has anti‐inflammatory and antithrombotic properties that may lessen ischemic damage.
Mitra Mahmoudi Meymand +5 more
wiley +1 more source
Machine learning-enhanced nano-QSAR and multiscale modeling for predictive nanomedicine: applications in herbal therapeutics and neglected tropical diseases. [PDF]
Abor EK +6 more
europepmc +1 more source
ABSTRACT Objective Building on our prior Behavioral Risk Factor Surveillance System analysis identifying adults aged 18–39 as the primary driver of the national increase in self‐reported cognitive disability, we examined factors associated with this rise using 2013–2024 U.S. BRFSS data. Methods We analyzed U.S.
Adam de Havenon +9 more
wiley +1 more source
Enerzyme: An Efficient Reactive Neural Network Potential Training Framework for Enzyme Cluster Models with Application to Methyltransferases. [PDF]
Luo W, Kulik HJ.
europepmc +1 more source
ABSTRACT Objective To evaluate the expression of nine blood RNA biomarkers in a clinical trial based on genes previously identified in an experimental monkey model of stroke for diagnosis feasibility and prognostication. Methods IBIS‐CT1 was a prospective longitudinal study enrolling patients with ischemic stroke (IS) or intracerebral hemorrhage (ICH ...
Salomé Retailleau +11 more
wiley +1 more source
Modulating the Electronic Structure and Global Reactivity of Nitrogen/Boron Co-Doped Graphene Oxide: A Density Functional Theory Study for Enhanced Gas Sensing Applications. [PDF]
Bakry AM +5 more
europepmc +1 more source
Can machine learning uncover viable non-platinum catalysts for hydrogen evolution? An unsupervised clustering approach to transition metal-ligand complexes. [PDF]
Benarbia A +3 more
europepmc +1 more source
Electrostatic Potential at Nuclei vs. Atomic Charges as Descriptors of Hydrogen-Bond Basicity of Molecules. [PDF]
Atanasov IV +4 more
europepmc +1 more source

