Results 181 to 190 of about 1,121,600 (292)

Geometry‐Based Neural‐Network Prediction of Electron Localization Function Topology in Dense Hydrogen

open access: yesChemistry – A European Journal, EarlyView.
We present a machine‐learning framework that predicts the electron localization function (ELF) of dense hydrogen directly from atomic geometry, bypassing explicit electronic‐structure calculations. Trained on ab initio data for fluid hydrogen across multiple pressures, the model achieves high accuracy and reveals pressure‐dependent nonlocal ...
Xiaoyu Wang   +5 more
wiley   +1 more source

Rapid Access to Photoswitchable RNA Binders: Fluorination Enhances Protein Rescue by Exon Inclusion

open access: yesChemistry – A European Journal, EarlyView.
An adaptable approach, many light‐switchable RNA binders. We report a versatile strategy for rapidly synthesizing photoswitchable RNA binders. The ligands can target SMN2 pre‐mRNA, restoring the levels of the corresponding protein by exon‐inclusion rescue.
Lei Zhang   +10 more
wiley   +1 more source

Encapsulation of Linear and Cyclic Alkanes in Water Within a Dimeric Deep‐Cavity Sulfonatocalix[4]arene Capsule

open access: yesChemistry – A European Journal, EarlyView.
Captured in water. A tetrasulfonated deep‐cavity calix[4]arene encapsulates linear and cyclic alkanes, as well as benzene and hexafluorobenzene, in water by forming a self‐assembled dimeric capsule. The binding affinity is guest size‐dependent. For linear alkanes, the affinity peaks at n‐hexane, while cyclooctane is the most strongly bound cycloalkane.
Nico Schneider   +5 more
wiley   +1 more source

Comparative assessment of volume‐of‐fluid (VOF) multiphase solvers for viscoplastic flow over grooved patterned surfaces

open access: yesThe Canadian Journal of Chemical Engineering, EarlyView.
Abstract Accurately simulating multiphase flows at low capillary numbers remains challenging due to spurious currents and interface discretization errors. We present a systematic comparison of four volume‐of‐fluid (VOF) solvers within the OpenFOAM framework for pressure‐driven Poiseuille–Bingham flow over grooved surfaces: interFoam with classical ...
Amir Joulaei   +2 more
wiley   +1 more source

Protocol for Reconstituting Adaptor‐Mediated Activation of Full‐Length Kinesin‐1

open access: yesCytoskeleton, EarlyView.
ABSTRACT Kinesin‐1 is a member of the kinesin superfamily that plays an essential role in intracellular cargo transport. In the absence of cargo, Kinesin‐1 exhibits low motor activity due to autoinhibition. Multiple studies have demonstrated that adaptor proteins, which link cargos to Kinesin‐1, can activate Kinesin‐1 by releasing the autoinhibition ...
Haruka Masumoto, Kyoko Chiba
wiley   +1 more source

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