Results 111 to 120 of about 1,664,848 (287)
Stacked Ensemble for Bioactive Molecule Prediction
IEEE Access, 2019 Bioactive molecular compounds are essential for drug discovery. The biological activity of these compounds needs to be predicted as this is used to determine the drug-target ability.
Olutomilayo Olayemi Petinrin +1 more
doaj +1 more source
Predicting Atomic Charges in MOFs by Topological Charge Equilibration
Advanced 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
Equipment Health Assessment: Time Series Analysis for Wind Turbine Performance
Applied SciencesIn this study, we leverage SCADA data from diverse wind turbines to predict power output, employing advanced time series methods, specifically Functional Neural Networks (FNN) and Long Short-Term Memory (LSTM) networks.
Jana Backhus +5 more
doaj +1 more source
Bioinspired Stabilization of Fluorescent Au@SiO2 Tracers for Multimodal Biological Imaging
Advanced 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
AtmosphereThis study evaluates the performance of the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX) models in simulating the historical precipitation extremes and uses the best-performing model to project changes in extreme ...
Ifeanyi Chukwudi Achugbu +3 more
doaj +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
Color Routing and Beam Steering of Single‐Molecule Emission with a Spherical Silicon Nanoantenna
Advanced Functional Materials, EarlyView.We experimentally demonstrate broadband directional emission from single molecules using a single spherical silicon nanoparticle assembled via DNA origami. By varying nanoparticle (NP) size and emitter position, we achieve unidirectional emission, beam steering, and color routing at the nanoscale, revealing modal interference as the underlying ...
María Sanz‐Paz +9 more
wiley +1 more source
Advanced Functional Materials, EarlyView.Molten KNO2 treatment induces a lowrefractive index disordered carbon shell on fluorescent nanodiamonds, enhancing fluorescence emission while preserving spin coherence. Machine learningassisted correlative TEMPL enables direct single‐particle resolution of this enhancement relative to air‐oxidized nanodiamonds of similar morphology, establishing a ...
Parkarsh Kumar +10 more
wiley +1 more source
Advanced 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