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.

Dye-sensitized solar cells (DSSC) use dye as the photoactive material, which capture the incoming photon of light and use the energy to excite electrons. Research in DSSCs has centered around improving the efficacy of photosensitive dyes. A fruit's color is defined by a unique set of molecules, known as a pigment profile, which changes as a fruit progresses from ripe to rotten. This project investigates the use of fresh and rotten fruit extracts as the photoactive dye in a DSSC.

Many diabetics agree that the current glucometer methods are invasive, inefficient, and unsustainable for measuring blood glucose. These authors investigate the possibility of using a non-invasive glucometer patch that predicts blood glucose from patient sweat, with high accuracy.

This experiment assessed the effectiveness of a virtual environment as a method of exposure in the treatment of high school students’ public speaking anxiety. The results show that participants’ heartbeat was higher when they wore a VR headset than when they did not.

Each day we are flooded with new items that promise us a better experience at a better price. This forces buyers to continuously chose between sticking to what they know, or trying something new. In turn, companies need to be aware of the factors affecting consumer choices, that too within the different fractions of society. In this study the authors investigate the effect of survey-based price setting on profits made based on African American teen purchases, and how African-American teen loyalty to a particular brand affects their willingness to pay a higher price than the market average for their preferred brand items.

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

The authors analyzed biosolids from five Wisconsin wastewater treatment plants and suggest using KBr pellet FTIR as a simple and rapid method to start characterizing P species in biosolids.

Bennett and Joykutty test whether growth hormone directly or indirectly affected the rate at which cartilage renewed itself. Growth hormone could exert a direct effect on cartilage or chondrocytes by modifying the expression of different genes, whereas an indirect effect would come from growth hormone stimulating insulin-like growth factor. The results from this research support the hypothesis that growth hormone increases proliferation rate using the direct pathway. This research can be used in the medical sciences for people who suffer from joint damage and other cartilage-related diseases, since the results demonstrated conditions that lead to increased proliferation of chondrocytes. These combined results could be applied in a clinical setting with the goal of allowing patient cartilage to renew itself at a faster pace, therefore keeping those patients out of pain from these chondrocyte-related diseases.

In this study, the authors investigate the effects of acetone on the color of copper chloride (CuCl₂) solution, which has important implications for detecting copper in the environment.

Access to green space—an area of grass, trees, or other vegetation set apart for recreational or aesthetic purposes in an urban environment—and clean drinking water can be unequally distributed in urban spaces, which are often associated with income inequality. Little is known about public drinking water and green space inequities in the Bay Area. For our study, we sought to understand how public park access, drinking fountain access, and the quality of public drinking water differ across income brackets in the Bay Area. Though we observed smaller-scale instances of inequalities, in the park distribution in the Bay Area as a whole, and in the Southern Bay’s water quality and park distribution, our results indicate that other factors could be influencing water quality, and park and fountain access in the Bay Area.