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Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

Recent declines in the brook trout population of the Lake Champlain Basin have made the genetic screening of this and other trout species of utmost importance. In this study, the authors collected and analyzed 21 DNA samples from Lake Champlain Basin trout populations and performed a phylogenetic analysis on these samples using the cytochrome b gene. The findings presented in this study may influence future habitat decisions in this region.

The authors studied the bioethical values of Generation Z.

Car emissions harm both the environment and human health, and current U.S. EV tax credits mainly benefit high-income households because EVs are expensive. This study evaluates U.S. vehicle emissions policies by analyzing 2022 national vehicle data to compare the fuel economy and greenhouse gas impacts of the current EV tax credit with a proposed policy that incentivizes hybrid vehicle purchases.

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.

This paper looks at using spent coffee grounds as a partial substitute for titanium dioxide (TiO₂) as a catalyst for chemical reactions. Using UV-Vis spectrophotometry, they found that adding the coffee grounds to TiO₂ in a 3:1 ratio, there is still meaningful catalytic activity. This offers a cheaper solution than just using pure TiO₂.

The authors looked at public knowledge regarding suggested daily limits for sugar intake and then looked at how sugar levels vary in the same drink obtained from different sources and across different days.

The authors computationally screened potential ALDH1 inhibitors, for use as potential cancer therapeutics.

The authors looked at beach nourishment (a way to combat erosion on coasts) and resulting grain size distribution. Their work is important to understand the dynamics of erosion and it's relation to wave action and the implications this has for efforts to mitigate coastal erosion.

In this study the authors looked at the ability to navigate planes in space between randomly placed planets. They used machine and reinforcement learning to run simulations and found that they were able to identify optimal paths for travel. In the future these techniques may allow for safer travel in unknown spaces.