Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.

The authors examine a relationship between tweet sentiment and stock market behavior during the early weeks of the COVID-19 pandemic.

In this study the authors looked at developing a more efficient particle collision classification method with the goal of being able to more efficiently analyze particle trajectories from large-scale particle collisions without loss of accuracy.

In this study, the authors test whether excess copper exposure has neurobehavioral effects on Hirudo verbana leeches.

Seeking to investigate the effects of ambient pollutants on human respiratory health, here the authors used machine learning to examine asthma in Lost Angeles County, an area with substantial pollution. By using machine learning models and classification techniques, the authors identified that nitrogen dioxide and ozone levels were significantly correlated with asthma hospitalizations. Based on an identified seasonal surge in asthma hospitalizations, the authors suggest future directions to improve machine learning modeling to investigate these relationships.

Research relating to freshwater acidification is minimal, so the impact of aquatic plants, Anubias barteri var. congensis and Anubias barteri var. nana, on minimizing changes in pH was explored in an ecosystem in Northern California. Creek water samples, with and without the aquatic plants, were exposed to dry ice to simulate carbon emissions and the pH was monitored over an eight-hour period. There was a 25% difference in the observed pH based on molar hydrogen ion concentration between the water samples with plants and those without plants, suggesting that aquatic plants have the potential to limit acidification to some extent. These findings can guide future research to explore the viable partial solution of aquatic plants in combating freshwater acidification.

Androgens are natural or synthetic steroid hormones that control secondary male sex characteristics. Androgens are excreted in cattle urine and feces, and can run off or seep into nearby waters, negatively impacting aquatic life and potentially polluting human water sources. Here, the authors investigated the effectiveness of soil as a natural barrier against androgen flow into vulnerable waterways. Their results, obtained by testing diffusion patterns of luminol, an androgen chemical analog, indicated that soil is a poor barrier to androgen diffusion.

Here seeking to identify a method to remove harmful microplastics from water, the authors investigated the viability of using electrolysis to degrade microplastics in tap water. Compared to control samples, they found electrolysis treatment to significantly the number of net microplastics, suggesting that this treatment could potentially implemented into homes or drinking water treatment facilities.

The authors test the ability of aloe vera gel to purify water of four separate contaminants. Aloe reduced the levels of copper, iron, and phosphate, but not nitrate. Potential applications of this purification system are discussed.