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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 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.

Here, recognizing a declining supply of rock phosphate, as well as its role in crop fertilization, the authors investigated a fungus that forms a symbiotic relationship with many crops. They found that symbiosis between the fungus and common bean plant increased the affinity of the plant towards absorbing nutrients as evidenced by lower root-to-shoot ratios in beans planted in soil with various concentrations of phosphorous and salinity.

The facial integument, or external skin tissues, were assessed on set of dinosaurs from the Allosauroidea clade to test whether dermal patterns served specific functions.

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.

Despite major advances in gender equality, men still far outnumber women in science, technology, engineering and math (STEM) professions. The purpose of this project was to determine whether mindset could affect a student’s future career choices and whether this effect differed based on gender. When looking within the gender groups, 86% of females who had a growth mindset were likely to consider a “male” career, whereas only 16% of females with fixed mindset would likely to consider a “male” career. Especially for girls, cultivating a growth mindset may be a great strategy to address the problem of fewer girls picking STEM careers.

In this study, the authors address the concerns of heavy metal contamination in industrial and feedlot water waste. They test whether added probiotics are capable of taking up heavy metals in water to attenuate pollution.

Engineered bacteria that degrade oil are currently being considered as a safe option for the treatment of oil spills. For this approach to be successful, the bacteria must effectively express oil-degrading genes they uptake as part of an external genoming vehicle called a "plasmid". Using a computational approach, the authors investigate plasmid-bacterium compatibility to find pairs that ensure high levels of gene expression.

Cholesterol is a major component of neuronal cell membrane and myelin sheath. In this study, the authors either transfected Neuro 2A cells with CYP46A1 cDNA or treated the cells with 24SHC. Cells expressing CYP46A1 had significantly less viability compared to the negative control. Up to 55% reduction in cell viability was also observed in 24S-HC-treated cells. This work supports that CYP46A1 and 24S-HC could directly trigger cell death. The direct involvement of 24S-HC in cell death provides further evidence that 24S-HC can be a promising biomarker for diagnosing brain damage severity.

We hypothesize that berberine has broad-spectrum antibacterial properties, along with potency that is comparable to current broad-spectrum antibiotics that are commercially available. Here, we screened berberine against four strains of bacteria and evaluated its antimicrobial activity against five broad-spectrum antibiotics from different classes to better quantify berberine’s antibacterial activity and compare its efficacy as an antibacterial agent to the broad-spectrum antibiotics. Our results indicated that berberine had strain-selective cytotoxic effects and was significantly less potent than most of the broad-spectrum antibiotics