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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

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.

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The Effect of Cobalt Biomineralization on Power Density in a Microbial Fuel Cell

Bandyopadhyay et al. | Sep 07, 2015

The Effect of Cobalt Biomineralization on Power Density in a Microbial Fuel Cell

A microbial fuel cell is a system to produce electric current using biochemical products from bacteria. In this project authors operated a microbial fuel cell in which glucose was oxidized by Shewanella oneidensis in the anodic compartment. We compared the power output from biomineralized manganese or cobalt oxides, reduced by Leptothrix cholodnii in the cathodic compartment.

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Is Cloud Cover One of the Effects of Climate Change?

Crair et al. | Mar 27, 2014

Is Cloud Cover One of the Effects of Climate Change?

Climate change is one of the most controversial challenges humans face. Here the authors investigate the dual role of clouds - to reflect incoming light away from the Earth and to reflect heat energy back toward the Earth's surface. They find that the amount of incident light energy and surface temperature decreases as the sky becomes cloudier. These results will inform longer-term studies that may compare against the amount of energy clouds reflect back toward the Earth.

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An Exploration of a Honey-Ginger Supplement as an Antimicrobial Agent

Phillips et al. | Jul 10, 2016

An Exploration of a Honey-Ginger Supplement as an Antimicrobial Agent

Due to the increase in antimicrobial resistance, alternative medicinal therapies are being explored. Studies have shown that honey and ginger alone have antimicrobial effects on the genera Staphylococcus and Escherichia, including S. epidermidis and E. coli. The authors of this study tested whether a honey-ginger supplement, Jengimielâ„¢, could be used as an antimicrobial agent against S. epidermidis and E. coli K-12.

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Extroverts as Materialists: Correlating Personality Traits, Materialism, and Spending Behavior

Jackson et al. | Feb 19, 2017

Extroverts as Materialists: Correlating Personality Traits, Materialism, and Spending Behavior

The authors investigated the relationship between personality traits and adolescent materialism, as well as how materialism relates to spending habits. Results indicate that extroversion was positively correlated with materialism, and that adolescents' purchases were affected by the purchasing behaviors of their friends or peers. Moreover, materialistic youth were more likely than non-materialistic youth to spend money on themselves when given a hypothetical windfall of $500.

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Fluorescein or Green Fluorescent Protein: Is It Possible to Create a Sensor for Dehydration?

Joshi et al. | Dec 09, 2019

Fluorescein or Green Fluorescent Protein: Is It Possible to Create a Sensor for Dehydration?

Currently there is no early dehydration detection system using temperature and pH as indicators. A sensor could alert the wearer and others of low hydration levels, which would normally be difficult to catch prior to more serious complications resulting from dehydration. In this study, a protein fluorophore, green fluorescent protein (GFP), and a chemical fluorophore, fluorescein, were tested for a change in fluorescence in response to increased temperature or decreased pH. Reversing the pH change did not restore GFP fluorescence, but that of fluorescein was re-established. This finding suggests that fluorescein could be used as a reusable sensor for a dehydration-related pH change.

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Evaluating cinnamaldehyde as an antibacterial agent in a produce wash for leafy greens

Drennan et al. | Oct 28, 2021

Evaluating cinnamaldehyde as an antibacterial agent in a produce wash for leafy greens

Recognizing a growing demand for organic produce, the authors sought to investigate plant-based antibiotic solutions to meet growing consumer demand for safe produce and also meet microbial standards of the USDA. The authors investigated the use of cinnamaldehyde as an antibacterial again E. coli, finding that lettuce treated with cinnamaldehyde displayed significantly lower colony-forming units of E. coli when compared to lettuce treated with chlorine bleach.

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Evaluation of Tea Extract as an Inhibitor of Oxidative Stress in Prostate Cells

Zhang et al. | Jan 22, 2019

Evaluation of Tea Extract as an Inhibitor of Oxidative Stress in Prostate Cells

One important factor that contributes to human cancers is accumulated damage to cells' DNA due to the oxidative stress caused by free radicals. In this study, the authors investigate the effects of several different tea leaf extracts on oxidative stress in cultured human prostate cells to see if antioxidants in the tea leaves could help protect cells from this type of DNA damage. They found that all four types of tea extract (as well as direct application of the antioxidant EGCG) improved the outcomes for the cultured cells, with white tea extract having the strongest effect. This research suggests that tea extracts and the antioxidants that they contain may have applications in the treatment of the many diseases associated with cellular DNA damage, including cancer.

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An analysis of junior rower performance and how it is affected by rower's features

Biller et al. | Jan 07, 2022

An analysis of junior rower performance and how it is affected by rower's features

In this study, with consideration for the increasing participation of high school students in indoor rowing, the authors analyzed World Indoor Rowing Championship data. Statistical analysis revealed two key features that can determine the performance of a rower as well as increasing competitiveness in nearly all categories considered. They conclude by offering a 2000-meter ergometer time distribution that can help junior rowers assess their current performance relative to the world competition.

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