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.

The objective of this project was to test various materials to determine which ones collect the most atmospheric water when exposed to the same environmental factors. The experiment observed the effect of weather conditions, a material’s surface area and hydrophilicity on atmospheric water collection. The initial hypothesis was that hydrophobic materials with the greatest surface area would collect the most water. The materials were placed in the same outside location each night for twelve trials. The following day, the materials were weighed to see how much water each had collected. On average, ribbed plastic collected 10.8 mL of water per trial, which was over 20% more than any other material. This result partially supported the hypothesis because although hydrophobic materials collected more water, surface area did not have a significant effect on water collection.

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.

Manufacturers that produce products using fused filament fabrication (FFF) 3D printing technologies have control of numerous build parameters. This includes the number of solid layers on the exterior of the product, the percentage of material filling the interior volume, and the many different types of infill patterns used to fill their interior.This study investigates the hypothesis that as the density of the part increases, the mechanical properties will improve at the expense of build time and the amount of material required.

The Young's Modulus of a structural material is a measure of its elasticity and is defined as the ratio of the tensile stress to tensile strain. This study aims to investigate the Young's Modulus of pasta with different diameters.

Air pollution has detrimental effects on both the environment and humans. Here, researchers use graphene oxide to filter particulate matter from the air. Graphene oxide filters performed better than commercially available filters, effectively removing particulate matter from the air.

Here, seeking to develop an understanding of the properties that determine the viability of piezoelectric flexible materials for applications in electro-mechanical sensors, the authors investigated the effects of the inclusion BaTiO₃ nanoparticles in electrospun Polyvinyledene Fluoride. They found the voltage generated had a piecewise linear dependence on the applied force at a few temperatures.

In our work we followed the formation of gas bubbles on the surface of the vessel walls in different carbonated liquids, over different time intervals, at different temperatures and in vessels made of different materials. Our results made it possible to identify patterns affecting the process of formation and disappearance of carbon dioxide bubbles.

Bubbles! In this study, the authors investigate the effects that different materials, temperature, and distance have on the formation of water bubbles on the surface of copper and steel. They calculated mathematical relations based on the outcomes to better understand whether interstitial hydrogen present in the d-block metals form hydrogen bonds with the water bubbles to account for the structural and mechanical stability.

Commercial Concentrated Animal Feeding Operations (CAFOs) produce large quantities of waste material from the animals being housed in them. These feedlots found across the United States contain livestock that produce waste that results in hazardous runoff. This study examines how CAFOs affect water sources by testing for Escherichia Coli (E. coli) content in bodies of water near CAFOs.