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.

Neural networks are used throughout modern society to solve many problems commonly thought of as impossible for computers. Fountain and Rasmus designed a convolutional neural network and ran it with varying levels of training to see if consistent, accurate, and precise changes or patterns could be observed. They found that training introduced and strengthened patterns in the weights and visualizations, the patterns observed may not be consistent between all neural networks.

In this study, the authors investigate the antimicrobial effects of berberine and berberine analogs. Berberine is extracted from plants and is a naturally occurring alkaloid, and is also excited photochemically. Using three different assays, the authors tested whether these compounds would inhibit bacterial growth. They found that these compounds were antibacterial and even more so when used with photoirradiation. This study has important antibacterial implications.

Catalase is a biocatalyst used to break down toxic hydrogen peroxide into water and oxygen in industries such as cheese and textiles. Improving the efficiency of catalase would help us to make some industrial products, such as cheese, less expensively. The best way to maintain catalase’s conformation, and thus enhance its activity, is to immobilize it. The primary goal of this study was to find a new way of immobilizing catalase.

The authors looked at the antibacterial effects of oregano and star anise essential oils against E. coli or S. epidermis. They found that oregano oil showed antibacterial activity against both E. coli or S. epidermis, and that star anise oil had a larger zone of inhibition in E. coli than tetracycline, a conventional antibiotic.

Here, the authors used surface electromyography to measure the effects of caffeine intake on the resting activity of muscles. They found a significant increase in the measured amplitude suggesting that caffeine intake increased the number of activated muscle fibers during rest. While previous research has focused on caffeine's effect on the contraction signals of muscles, this research suggests that its effects extend to even when a muscle is at rest.

Environmental disasters such as the Deepwater Horizon oil spill can be devastating to ecosystems for long periods of time. Safer, cheaper, and more effective methods of oil clean-up are needed to clean up oil spills in the future. Here, the authors investigate the ability of natural ocean algae to process crude oil into less toxic chemicals. They identify Coccochloris elabens as a particularly promising algae for future bioremediation efforts.

Minerals such as iron are essential for life, but too much of a good thing can be poisonous. Here the authors investigate the effect of iron concentrations on the growth of an aquatic plant and find that supplementing small amounts of iron can help, but adding too much can be bad for the plant. These results should help inform decisions on allowable iron concentrations in the environment, aquatic farming, and even home aquariums.

The traditional alert system in California consists of Wireless Emergency Alerts (WEAs), which lack location specificity, and sign-up-based technology which is limited by the number of sign ups. Those who do not have phones or have a silence option on their devices are most at risk from the current alert system. Here the authors developed cloud-enabled crisis connection for disaster alerts (CRISIS-CONNECT) to mitigate problems associated with the current alert system.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.