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In silico modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Suresh et al. | Jan 10, 2022

<i>In silico</i> modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Here, through protein-ligand docking, the authors investigated the effect of the interaction of emodin with serine/threonine kinases, a subclass of kinases that is overexpressed in many cancers, which is implicated in phosphorylation cascades. Through molecular dynamics theyfound that emodin forms favorable interactions with chitosan and chitosan PEG (polyethylene glycol) copolymers, which could aid in loading drugs into nanoparticles (NPs) for targeted delivery to cancerous tissue. Both polymers demonstrated reasonable entrapment efficiencies, which encourages experimental exploration of emodin through targeted drug delivery vehicles and their anticancer activity.

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A model for angle evolution in conical piles formed using the fixed funnel method

Capaldi et al. | Jul 20, 2026

A model for angle evolution in conical piles formed using the fixed funnel method

When granular materials are poured onto a surface, they form conical piles whose slopes increase before reaching a stable angle of repose. We found that this angle evolution follows a previously unrecognized two-phase exponential growth pattern that is conserved across granular materials with diverse particle properties. The parameters of this model correlate with particle friction and are influenced by deposition conditions, providing a quantitative framework for describing pile formation.

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