A light‐responsive liquid crystal (LC) polymer network integrating molecular rotary motors and photothermal converters enables the decoupling of photochemical and photothermal effects. Selective wavelength activation allows orthogonal control over persistent shape encoding and fast reversible motion, enabling programmable soft robots capable of complex
Guiying Long +3 more
wiley +1 more source
Synthesis, crystal structure, DFT calculations, in-vitro and in-silico studies of novel chromone-isoxazoline conjugates as antibacterial and anti-inflammatory agents. [PDF]
Bouzammit R +11 more
europepmc +1 more source
In this research the [4‐(3,6‐dimethyl‐9H‐carbazol‐9‐yl)butyl] phosphonic acid (Me‐4PACz) self‐assembled monolayers (SAMs) to bond with NiOx is first designed to be the organic‐inorganic hybrid hole‐selective layers, which promotes the BiVO4 photoanodes photoelectrochemical water splitting performance with 6.9 mA cm−2 photocurrent at 1.23 VRHE and at ...
Kaige Tian +10 more
wiley +1 more source
Yttrium-Modified B<sub>12</sub>N<sub>12</sub> Nanocages for High-Performance H<sub>2</sub> Sensing: Insights from DFT Calculations on Sensitivity, Selectivity, and Recovery. [PDF]
do Nascimento WDCL +3 more
europepmc +1 more source
We identify strong anisotropy in the upper critical field and magnetoresistance in the kagome superconductor LaRu3Si2, revealing pronounced electronic anisotropy. Uniaxial stress enhances magnetoresistance and Tc, with a positive correlation suggesting an electronic pairing mechanism.
P. Kral +12 more
wiley +1 more source
A novel anthocyanins hydroxyethyl cellulose film for intelligent chicken meat packaging with mechanical study, DFT calculations and molecular docking study. [PDF]
Tohamy HS.
europepmc +1 more source
Selective methane (CH4) photooxidation emerges from architectural decoupling of activation and preservation. Programmable organic semiconductor frameworks spatially organize oxidative flux and intermediate residence, separating reaction zones from product domains to synchronize activation strength with stabilization and establish a selective oxidation ...
Minxian Zhang +5 more
wiley +1 more source
Innovative Azo Disperse Dyes Containing a Hydrazide-Hydrazone Moiety: Design, DFT Calculations, Antimicrobial and Antibiofilm Activities, and Dyeing Performance on Polyester Fabrics. [PDF]
Elgammal WE +9 more
europepmc +1 more source
Synthesis and Biological Assessment of Cyanopyridine-Based 1,3,4-Oxadiazole Derivatives: Anticancer Potential, Antioxidant Activity, Molecular Docking, and DFT Calculations. [PDF]
Zebbiche Z +6 more
europepmc +1 more source
Supramolecular Structure of Sulfonamide-Substituted Silatranes: Quantum Chemical DFT Calculations. [PDF]
Chipanina NN +6 more
europepmc +1 more source

