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.
Because of the COVID-19 pandemic, people are missing important appointments because they are viewed as nonessential, possibly including children's pediatric dentist appointments. This study aims to determine how the COVID-19 pandemic has effected parents' willingness to allow children to visit pediatric dental practices and what safety measures would make them feel more comfortable visiting the dentist. The authors found a weak positive correlation between parents' unwillingness to allow their child to visit the dentist, however overall anxiety towards visiting the dentist during the pandemic was low.
The COVID-19 pandemic has caused disruption in social interactions. In this study, the authors tested if walking a dog will change human interactions and found that walking with a dog increased social interaction.
In this study, the authors developed a model named DNA Sequence Embedding Network (DNA-SEnet) to classify DNA-asthma associations using their genomic patterns.
In this study, the authors test ways to increase knowledge of green consumerism amongst high school students. Their knowledge was measured based on the New Ecological Paradigm Scale.
While 75% of waste in the United States is stated to be recyclable, only about 34% truly is. This project takes a stance to combat the pillars of mismanaged waste through a modern means of convenience: the TracedWaste app. The purpose of this study was to identify how individuals' waste disposal habits improved and knowledge increased (i.e. correctly disposing of waste, understanding negative incorrect waste disposal) due to their use of an informational waste management app as measured by a survey using a 1-5 Likert Scale. The results showed that the TracedWaste app helped conserve abundant resources such as energy and wood, decrease carbon emissions, and minimize financial toll all through reducing individual impact.
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.
Zeolithic imidazolate framework-8 (ZIF-8) is a specific metal-organic framework that has favorable qualities for use in an air filter and is known to be capable of adsorbing particulate matter. Therefore, the objective of this experiment was to determine the effectiveness of ZIF-8 in adsorbing polar, gaseous air pollutants, specifically nitrogen dioxide and hydrogen sulfide. In order to determine effectiveness, the percent change in concentration for various gases after the application of ZIF-8 crystals was measured via Fourier-transform infrared spectroscopy (FTIR). The work highlights crystals as a potentially promising alternative or addition to current filter materials to reduce atmospheric pollution.
Chlorella sp. are unicellular green algae that use photosynthesis to reduce carbon dioxide into glucose. In this study, authors sought to determine the temperature that Chlorella sp. is maximally efficient at photosynthesis, and therefore removing the most carbon dioxide from the system. This activity could be harnessed to naturally remove carbon dioxide from the environment, fighting the effects of climate change.
One of the greatest challenges we face today is the sustainable production, storage, and distribution of electrical power. One emerging technology with great promise in this area is that of metal-air fuel cells—a long-term and reusable electricity storage system made from a reactive metal anode and a saline solution. In this study the authors tested several different types of metal to determine which was the most suitable for this application. They found that a fuel cell with a magnesium anode was superior to fuel cells made from aluminum or zinc, producing a voltage and current sufficient for real-world applications such as charging a mobile phone.
