With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

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.

In this study, the authors conducted a statistical investigation into the history of position-based racial segregation in the NFL. Specifically, they focused on the cornerback position, which they hypothesized would be occupied disproportionately by black players due to their historical stereotyping as more suitable for positions requiring extreme athletic ability. Using publicly available datasets on the demographics of NFL players over the past several decades, they confirmed their hypothesis that the cornerback position is skewed towards black players. They additionally discovered that, unlike in the quarterback position, this trend has shown no sign of decreasing over time.

Many weight loss supplements contain the stimulant caffeine, but do not disclose the amount. Here, authors measure and compare the amount of caffeine in different dietary supplements. This research gives consumers better understanding of the impact natural supplements may have on their health.

The authors use molecular modeling to test analogs of the stearoyl-coenzyme A desaturase 1 (SCD1) inhibitor MF-438 with implications for future development of Parkinson's disease therapeutics.

The authors test the usefulness of zinc oxide microparticles relative to zinc oxide nanoparticles as antibacterial agents.

In this article, the authors investigate the RNA expression differences between groups of chronic cocaine abusers and drug-free subjects.

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.

Major depressive disorder (MDD) is a prevalent mood disorder. The direct causes and biological mechanisms of depression still elude understanding, though genetic factors have been implicated. This study looked to identify the mechanism behind the aberrant response to the dexamethasone suppression test (DST) displayed by MDD patients, in which they display a lack of cortisol suppression. Analysis revealed several pro-inflammatory genes that were significant and differentially expressed between affected and non-affected groups in response to the DST. Looking at ways to decrease the inflammatory response could have implications for treatment and may explain why some people treated for depression still display symptoms or may lead researchers to different classes of drugs for treatment.

The Wnt signaling pathway, known to coordinate important aspects of cellular homeostasis ranging from differentiation, proliferation, migration, and much more, is dysregulated in many human diseases. This study demonstrates that aminomethylphosphonic acid, which is the main metabolite found in the common herbicide Glyphosate, is toxic to planaria and capable of binding to canonical Wnt proteins.