Browse Articles

In this study, the authors determined whether tautomerization dynamics in protic and aprotic solvents displayed differences in reaction rates and in the proportion of the keto and enol tautomers present.

Recent observations by the “Extremely Metal-Poor Representatives Explored by the Subaru Survey” (EMPRESS) collaboration found normal deuterium levels but unexpectedly low helium-4, challenging current cosmological theories. This study used simulations with the PRyMordial package to test whether dark matter particles interacting with neutrinos in the early universe could explain the discrepancy.

This study explores the interaction between precocene II and trichocethecene 3-O-acetyltransferase using molecular docking simulations. Computational analysis identified several potential binding sites on the enzyme surface and predicted favorable ligand-protein interactions involving key residues. These findings provide insight into how precocene II may interact with this enzyme and demonstrate the use of computational approaches to explore potential antifungal mechanisms.

Elevated acetylcholinesterase (AChE) activity contributes to cognitive decline and neurodegenerative diseases such as Alzheimer’s, motivating the search for more effective inhibitors with better bioavailability. This study used computational methods to design novel, non-toxic AChE inhibitors.

In this study, the authors send E. coli cultures to space via the Cubes in Space^TM program to determine if ultraviolet C and ionizing radiation negatively affect bacterial growth.

The authors looked at four members of the tetracycline antibiotic family/class against four different species of bacteria.

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.

Here, seeking to better understand the roles of glycans in the receptors of active sites of neuronal cells, the authors used molecular dynamics simulations to to uncover the dynamic nature of N-glycans on membrane proteins. The authors suggest the study of theinteractions of these membrane poreins could provide future potential therapeutic targets to treat mental diseases.

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

The Scripps National Spelling Bee (SNSB) is an iconic academic competition for United States (US) schoolchildren, held annually since 1925. However, the sizes and geographic distributions of sponsored regions are uneven. One state may send more than twice as many spellers as another state, despite similar numbers in child population. In 2018, the SNSB introduced a wildcard program known as RSVBee, which allowed students to apply to compete as a national finalist, even if they did not win their regional spelling bee. In this study, the authors tested the hypothesis that the geographic distribution of SNSB national finalists more closely matched the child population of the US after RSVBee was implemented.