Predicting Atomic Charges in MOFs by Topological Charge Equilibration
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi +2 more
wiley +1 more source
Integrating 3D structural modelling and seismic interpretation to optimize hydrocarbon development in the Early Miocene Nukhul Formation, October Oil Field, Gulf of Suez, Egypt. [PDF]
Khattab MA +3 more
europepmc +1 more source
Anion‐excessive gel‐based organic synaptic transistors (AEG‐OSTs) that can maintain electrical neutrality are developed to enhance synaptic plasticity and multistate retention. Key improvement is attributed to the maintenance of electrical neutrality in the electrolyte even after electrochemical doping, which reduces the Coulombic force acting on ...
Yousang Won +3 more
wiley +1 more source
Adaptive fault tolerance mechanisms for ensuring high availability of digital twins in distributed edge computing systems. [PDF]
Sahu D +7 more
europepmc +1 more source
A transparent, laser‐microscribed glass platform enables cancer diagnosis within 1 h—much faster than histology, which takes days, and free from the chemical or contrast risks of MRI or CT scans. The antibody‐functionalized rough glass surface captures viable cancer cells directly from suspension, allowing instant optical readout and offering a rapid ...
Anish Pal +5 more
wiley +1 more source
Reliability evaluation oriented dominant dynamic characterization of park-level integrated energy system. [PDF]
Lu J +7 more
europepmc +1 more source
Upcycling of Disposable Face Masks into Water‐Resistant and Flame Retardant Foams
Disposable mask waste is upcycled into lightweight polypropylene‐based foams with tunable porosity and composite architectures reinforced by ear‐loop fibers. The sustainable solvent‐based process enables upcycling rates of 91% and solvent recovery of >90%.
Jingjing Pan +3 more
wiley +1 more source
Refined reservoir mapping while drilling for a strategic exploitation of deep-development reservoirs. [PDF]
Hu X +6 more
europepmc +1 more source
Counterion Dependent Side‐Chain Relaxation Stiffens a Chemically Doped Thienothiophene Copolymer
Oxidation of a thienothiophene copolymer, p(g3TT‐T2), via different doping strategies and dopant molecules resulted in materials with similar oxidation levels and a high electrical conductivity of ≈100 S cm−1. However, mechanical properties varied significantly, with sub‐glass transition temperatures and elastic moduli spanning from –44°C to –3°C and ...
Mariavittoria Craighero +12 more
wiley +1 more source
A self‐gelling PG@PAC (POD/Gel‐CDH@PA/CHX) powder is developed for infected burn care in austere settings. Upon contact with wound exudate, it instantly forms an adhesive hydrogel, providing simultaneous hemostasis, broad‐spectrum antibacterial activity, reactive oxygen species scavenging, and immunomodulation. In a murine model of S.
Liping Zhang +14 more
wiley +1 more source

