Results 141 to 150 of about 6,371 (300)

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

open access: yesAdvanced Functional Materials, EarlyView.
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

Bioinspired Stabilization of Fluorescent Au@SiO2 Tracers for Multimodal Biological Imaging

open access: yesAdvanced Functional Materials, EarlyView.
This study demonstrates a bioinspired stabilization strategy for fluorescent gold‐silica nanoparticles. Inspired by natural biosilica maturation, high‐temperature calcination transforms the silica shells, preventing dissolution in cell culture media and intracellular environments.
Wang Sik Lee   +5 more
wiley   +1 more source

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

open access: yesAdvanced 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

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

open access: yesAdvanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu   +3 more
wiley   +1 more source

Reducible KAM Tori for the Degasperis-Procesi Equation. [PDF]

open access: yesCommun Math Phys, 2020
Feola R, Giuliani F, Procesi M.
europepmc   +1 more source

Amyloidogenic Peptide Fragments Designed From Bacterial Collagen‐like Proteins Form Hydrogel

open access: yesAdvanced Functional Materials, EarlyView.
This study identified amyloidogenic sequence motifs in bacterial collagen‐like proteins and exploited these to design peptides that self‐assemble into β‐sheet fibers and form hydrogels. One hydrogel supported healthy fibroblast growth, showing promise for biocompatible materials. Our work demonstrates that bacterial sequences can be harnessed to create
Vamika Sagar   +5 more
wiley   +1 more source

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