Browse Articles

Bubbles! In this study, the authors investigate the effects that different materials, temperature, and distance have on the formation of water bubbles on the surface of copper and steel. They calculated mathematical relations based on the outcomes to better understand whether interstitial hydrogen present in the d-block metals form hydrogen bonds with the water bubbles to account for the structural and mechanical stability.

Surface tension and viscosity are both measures of how "sticky" a liquid is, but are they related? The authors here investigate the surface tension and viscosity of mixtures of water with different concentrations of agar agar, flour, or detergent. Surprisingly, they find that the least viscous mixtures had the strongest surface tensions, indicating that the two properties are not linked.

This study explores the interaction between precocene II and trichocethecene 3-O-acetyltransferase using molecular docking simulations. Computational analysis identified several potential binding sites on the enzyme surface and predicted favorable ligand-protein interactions involving key residues. These findings provide insight into how precocene II may interact with this enzyme and demonstrate the use of computational approaches to explore potential antifungal mechanisms.

Elevated acetylcholinesterase (AChE) activity contributes to cognitive decline and neurodegenerative diseases such as Alzheimer’s, motivating the search for more effective inhibitors with better bioavailability. This study used computational methods to design novel, non-toxic AChE inhibitors.

Microscopic beauty is hiding in common kitchen ingredients - even vanillin flavoring can be turned into mesmerizing artwork by crystallizing the vanillin and examining it under a polarizing microscope. Wang and Pang explore this hidden beauty by determining the optimal conditions to grow crystalline vanillin films and by creating computer simulations of chemical interactions between vanillin molecules.

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.

The authors employ computational protein design to identify a mini-protein with the potential to enhance binding of the tight junction protein, claudin-5, at the blood-blood barrier with therapeutic potential for neurodegenerative diseases.

In this study, the authors looked at a proto-oncogene, KRAS, and searched for molecules that are predicted to be able to bind to the inactive form of KRAS. They found that a modified version of Irbesartan, a derivative of benzimidazole, showed the best binding to inactive KRAS.

Hydrogen sulfide is toxic at high concentrations, but at low concentrations may be helpful for plant growth. This study characterizes the effect of hydrogen sulfide exposure on leafy plant growth. Bok choy hearts were grown in the presence of hydrogen sulfide, and measured for new leaf growth and flowering.

Growing climate concerns have intensified research into zero-emission transportation fuels, notably hydrogen. Hydrogen is considered a clean fuel because its only major by-product is water. This project analyzes how hydrogen compares to kerosene as a commercial aircraft fuel with respect to cost, CO2 emissions, and flight range.