Browse Articles

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.

Read More...

The characterization of quorum sensing trajectories of Vibrio fischeri using longitudinal data analytics

Abdel-Azim et al. | Dec 16, 2023

The characterization of quorum sensing trajectories of <i>Vibrio fischeri</i> using longitudinal data analytics

Quorum sensing (QS) is the process in which bacteria recognize and respond to the surrounding cell density, and it can be inhibited by certain antimicrobial substances. This study showed that illumination intensity data is insufficient for evaluating QS activity without proper statistical modeling. It concluded that modeling illumination intensity through time provides a more accurate evaluation of QS activity than conventional cross-sectional analysis.

Read More...

Development of anti-cancer bionanoparticles isolated from corn for bone cancer treatment

Richardson et al. | Apr 20, 2023

Development of anti-cancer bionanoparticles isolated from corn for bone cancer treatment

This study hypothesizes that nanoparticles derived from corn (cNPs)may have anti-proliferative effects on bone cancer and metastasized bone cancer. It finds that human osteosarcoma and human lung carcinoma metastasized to bone marrow cell viability decreased to 0% when treated with cNPs. Overall, these results indicate that cNPs have anti-proliferative effects on bone cancer cells and cancer cells that metastasize to the bone.

Read More...

Assessing the Efficacy of NOX Enzyme Inhibitors as Potential Treatments for Ischemic Stroke in silico

Vinay et al. | Sep 18, 2020

Assessing the Efficacy of NOX Enzyme Inhibitors as Potential Treatments for Ischemic Stroke <i>in silico</i>

Ischemic stroke occurs when blood flow to the brain is interrupted, causing brain damage. This study investigated the effectiveness of different NOX inhibitors as treatments for ischemic stroke in silico. The results help corroborate previous in vivo and in vitro studies in an in silico format, and can be used towards developing drugs to treat ischemic stroke.

Read More...

Variations in Heat Absorption and Release of Earth Surfaces During Fall in Laramie, Wyoming

Ramesh et al. | Sep 08, 2020

Variations in Heat Absorption and Release of Earth Surfaces During Fall in Laramie, Wyoming

Here the authors investigate the contributions of man-made surfaces in Laramie, Wyoming to the Urban Heat Island (UHI) effect. Heat absorption and release by five surfaces were measured in the autumn of 2018. By recording temperatures of man-made and natural surfaces at early morning, mid-afternoon, and evening using an infrared thermometer, the authors determined that man-made surfaces retained more heat in fall than natural surfaces.

Read More...

Green Tea Extract as an Environmentally Friendly Antibacterial Agent Against Pseudomonas syringae pv. tomato on Plants

Lo et al. | Oct 27, 2015

Green Tea Extract as an Environmentally Friendly Antibacterial Agent Against <i>Pseudomonas syringae pv. tomato </i>on Plants

Plant pathogens can cause significant crop loss each year, but controlling them with bactericides or antibiotics can be costly and may be harmful to the environment. Green tea naturally contains polyphenols, which have been shown to have some antimicrobial properties. In this study, the authors show that green tea extract can inhibit growth of the plant pathogen Pseudomonas syringae pv. tomato and may be useful as an alternative bactericide for crops.

Read More...

Comparison of three large language models as middle school math tutoring assistants

Ramanathan et al. | May 02, 2024

Comparison of three large language models as middle school math tutoring assistants
Image credit: Thirdman

Middle school math forms the basis for advanced mathematical courses leading up to the university level. Large language models (LLMs) have the potential to power next-generation educational technologies, acting as digital tutors to students. The main objective of this study was to determine whether LLMs like ChatGPT, Bard, and Llama 2 can serve as reliable middle school math tutoring assistants on three tutoring tasks: hint generation, comprehensive solution, and exercise creation.

Read More...

Using NLP to ascertain changes in the fast-fashion industry based on UN sustainable development goals

Chadha et al. | Sep 11, 2023

Using NLP to ascertain changes in the fast-fashion industry based on UN sustainable development goals
Image credit: Prudence Earl

Here, the authors sought to evaluate the efforts of fast fashion clothing companies towards sustainability, specifically in regards to the United Nations Sustainable Development Goals. The authors used natural language processing to investigate the sustainability reports of fast fashion companies focusing on terms established by the UN. They found that the most consistently addressed areas were related to sustainable consumption/production, with a focus on health and well-being emerging during the recent pandemic.

Read More...

Changing public opinions on genetically modified organisms through access to educational resources

Klein et al. | Jul 26, 2022

Changing public opinions on genetically modified organisms through access to educational resources

Genetically modified organisms (GMOs) are crops or animals that have been genetically engineered to express a certain physical or biological characteristic and have various benefits that have made them become increasingly popular. However, the public has had mixed reactions to the use of GMOs, with some skeptical of their safety. The purpose of this study was to evaluate how opinions on genetically modified foods can change from exposure to small amounts of information

Read More...

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.

Read More...

Search Articles

Search articles by title, author name, or tags

Clear all filters

Popular Tags

Browse by school level