Nucleo-amino acid derived AMO as a potential JAK inhibitor: machine learning screening, docking, molecular dynamics, ADMET/toxicity, and MM-PBSA analysis. [PDF]
Hosseini M, Fattahi A.
europepmc +1 more source
Stretching the Printability Metric in Direct‐Ink Writing with Highly Extensible Yield‐Stress Fluids
This study introduces “drawability” as a new metric for assessing printability in direct‐ink writing, focusing on gap‐spanning performance and speed robustness. By designing yield‐stress fluids with high extensibility, we demonstrate that extensional strain‐to‐break significantly enhances printability.
Chaimongkol Saengow +9 more
wiley +1 more source
Revolutionary horizons in nonaqueous and aqueous-nonaqueous electrolyte design for safer high-performance zinc-ion batteries. [PDF]
Sun AY, Simi NL, Pol VG.
europepmc +1 more source
Biomass Native Structure Into Functional Carbon‐Based Catalysts for Fenton‐Like Reactions
This study indicates that eight biomasses with 2D flaky and 1D acicular structures influence surface O types, morphology, defects, N doping, sp2 C, and Co nanoparticles loading in three series of carbon, N‐doped carbon, and cobalt/graphitic carbon. This work identifies how these structural factors impact catalytic pathways, enhancing selective electron
Wenjie Tian +7 more
wiley +1 more source
Manipulating cation solvation equilibrium in sole-solvent electrolyte for fast-charging and wide-temperature-range sodium metal batteries. [PDF]
Liu Y +7 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
Navigating the Solubility Landscape of APIs in Deep Eutectic Solvents: A Data-Driven Thermodynamic Taxonomy of Solvation Regimes and Mechanisms. [PDF]
Jeliński T +3 more
europepmc +1 more source
Retention Mechanism Based on Linear Solvation Energy Relationships to RP-HPLC
M. Tian, B. Tang, K.H. Row
openaire +1 more source
Polarizable Vanadium Dipoles Promote Water Dissociation on Vanadium‐Based Metal Organic Framework
The polarization of unpaired V 3d electrons weakens the H─O bond to improve water dissociation by the dual Vδ+:O─H and Pλ−:H─O coupling hydrogen bonds formation and relaxation. P@V‐MOF electrocatalyst shows low overpotentials (94 mV in acid, 178 mV in neutral, and 77 mV in alkaline solutions) with excellent stability for effective overall water ...
Xinjuan Liu +13 more
wiley +1 more source
Predicting Chromatographic Retention Times from Quantum-Chemical Solvation Free Energies: A Pilot Study of Oxysterols. [PDF]
Janesko BG, Li L.
europepmc +1 more source

