Results 201 to 210 of about 21,966 (276)

End-to-End Modeling of Reaction Field Energy Using Data-Driven Geometric Graph Neural Networks. [PDF]

J Chem Theory Comput
Wu Y, Zhu Q, Luo R.
europepmc   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

Conformational landscape of β-cyclodextrin: a computational resource for host-guest modeling in supramolecular systems. [PDF]

J Comput Aided Mol Des
Napiórkowska E, Szeleszczuk Ł.
europepmc   +1 more source

Sustainable Catalyst‐Free PLG Networks: Recyclability, Biodegradability, and Functional Performance

Advanced Functional Materials, EarlyView.
A catalyst‐additive free covalent adaptable network is developed from star‐shaped poly(lactide‐co‐glycolide) cross‐linked with pyromellitic dianhydride, enabling internal carboxylic acid‐driven transesterification. The resulting biodegradable network exhibits mechanical robustness (Young's modulus ≈1.6 GPa), complete recyclability, rapid biodegradation
Lars Schwarzer, Emilia Fulajtar, Seema Agarwal   +2 more
wiley   +1 more source

Correlated Molecular Orbital Theory Predictions of Hydrogen-Containing Halomethane Thermochemistry: Heats of Formation, C-H Bond Dissociation Energies, and p<i>K</i>_a Values. [PDF]

J Phys Chem A
Andress TD, Seely C, Miele M, Castoldi L, Pace V, Dixon DA.   +5 more
europepmc   +1 more source

High‐Resolution and Real‐Time In Situ Generation of Cellular Spheroids by Laser‐Assisted Bioprinting for Guided Microvascularization

Advanced Functional Materials, EarlyView.
Micro‐injection laser‐assisted bioprinting enables ultrafast and precise patterning of small endothelial cell spheroids by injecting a highly concentrated single‐cell suspension into GelMA/ColMA hydrogels. In co‐culture with fibroblasts, controlled pre‐vasculogenic network formation is obtained at microscale resolution.
Charles Handschin, Katharina Wulz, Clotilde Jugie, Marie‐Laure Stachowicz, Shane Fennell, Aurélien Mazet, Malou Lea, Nathalie Dusserre, Jean‐Christophe Fricain, Hugo Oliveira   +9 more
wiley   +1 more source

Density Functional Theory Insights into Polypyrrole-Based Functional Composites for Advanced Energy Storage, Sensing, and Environmental Applications. [PDF]

Nanomaterials (Basel)
Adedoja OS, Maladzhi RW, Olanrewaju OA, Adeosun SO, Gbadeyan OJ.   +4 more
europepmc   +1 more source

Nanothermometry in Living Cells: Physical Limits, Conceptual and Material Challenges

Advanced Functional Materials, EarlyView.
Heat and temperature are fundamental to life. When nanothermometers began probing regions as small as a living cell, they triggered controversial claims of large intracellular temperature gradients. We review physical constraints energy‐conservation, entropy production, thermodynamic fluctuations, and molecular dynamics.
Taras Plakhotnik
wiley   +1 more source

Quantum-Mechanically Refined, Dynamics-Coupled, and AI-Augmented Elucidation of Epigenetic Inhibition: An In Silico Paradigm Targeting HDAC8 of <i>Schistosoma mansoni</i>. [PDF]

J Trop Med
Imran M, Jawaid T, Alhuthali HM, Alrehaili AA, Alzahrani AR, Rehman ZU, Mbunge E, Dzinamarira T.   +7 more
europepmc   +1 more source

Bio‐Inspired Magnetically Tunable Structural Colors from Elliptical Self‐Assembled Block Copolymer Microparticles

Advanced Functional Materials, EarlyView.
Cephalopod‐inspired photonic microparticles with dynamic structural coloration are fabricated via confined self‐assembly of linear block copolymers into ellipsoids containing stacked lamellae. Embedded superparamagnetic nanoparticles enable rapid magnetic alignment, restoring vivid, angle‐dependent color.
Gianluca Mazzotta, Simone Bertucci, Jose Mendoza‐Carreño, Agustín Mihi, Paola Lova, Davide Comoretto, Ullrich Steiner, Marco Lattuada, Andrea Dodero   +8 more
wiley   +1 more source