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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.

Modern artificial neural networks have been remarkably successful in various applications, from speech recognition to computer vision. However, it remains less clear whether they can implement abstract concepts, which are essential to generalization and understanding. To address this problem, the authors investigated the above vs. below task, a simple concept-based task that honeybees can solve, using a conventional neural network. They found that networks achieved 100% test accuracy when a visual target was presented below a black bar, however only 50% test accuracy when a visual target was presented below a reference shape.

In this study, the authors investigate associations between use of histamine H₂ receptor antagonists and suicidal ideation in different age groups.

Lithium-ion batteries, a breakthrough in chemistry that enabled the electronic revolution we live today have become an essential part of our day-to-day life. A phone battery running out after a heavy day of use with limited opportunities for recharging is a well-known and resented experience by almost everyone. How then can we make batteries more efficient? This paper proposes the use of a different type of separator, that improves the charging and discharging capacities of lithium ions compared to the classical separator. This and similar attempts to improve Lithium-ion battery function could facilitate the development of higher-performance batteries that work longer and withstand harsher use.

While tea has a complex history, recently the health benefits of this beverage have come into focus. In this study, researchers sought to compare the levels of caffeine, catechins and L-theanine between different types of tea using NMR spectroscopy. Further, the impact of brewing temperature on the release of these compounds was also assessed. Of those tested, Bao Chong tea had the highest levels of these compounds. Brewing temperatures between 45ºC and 75ºC were found to be optimal for compound release. These results can help consumers make informed choices about their tea preparation and intake.

Studying exoplanets, or planets that orbit a star other than the Sun, is critical to a greater understanding the formation of planets and how Earth's solar system differs from others. In this study the authors analyze the transit light curves of three hot Jupiter exoplanets to ultimately determine if and how these planets have changed since their discovery.