Structure and Energetics of Chemically Functionalized Silicene: Combined Density Functional Theory and Machine Learning Approach. [PDF]
Wojciechowski P, Bobyk A, Krawiec M.
europepmc +1 more source
LL‐37 Driven Phase Transition and Stacking in Oligolamellar Gram‐Negative Bacterial Membrane Models
This work establishes oligolamellar bacterial membrane models to investigate how LL‐37 disrupts the complex dual‐bilayer architecture of Gram‐negative bacteria. Combining SAXS, cryo‐TEM, electrophoretic mobility measurements, and coarse‐grained simulations, it reveals cardiolipin‐driven phase transitions leading to bicelle‐like structures and membrane ...
Bettina Tran +5 more
wiley +1 more source
Validated ligand geometries for macromolecular refinement restraints and molecular-mechanics force fields. [PDF]
Moriarty NW +3 more
europepmc +1 more source
Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai +6 more
wiley +1 more source
MMP release following cartilage injury leads to collagen loss in intact tissue: A computational study. [PDF]
Hamada M +6 more
europepmc +1 more source
Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu +4 more
wiley +1 more source
Engineered MgO Nanoparticles with Tunable Electronic Signatures for Energy Applications. [PDF]
Kurban M, Polat C, Serpedin E, Kurban H.
europepmc +1 more source
Inducing Ferromagnetism by Structural Engineering in a Strongly Spin‐Orbit Coupled Oxide
ABSTRACT Magnetic materials with strong spin‐orbit coupling (SOC) are essential for the advancement of spin‐orbitronic devices, as they enable efficient spin‐charge conversion, complex magnetic structures, spin‐valley physics, topological phases and other exotic phenomena.
Ji Soo Lim +19 more
wiley +1 more source

