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The authors use molecular modeling to test analogs of the stearoyl-coenzyme A desaturase 1 (SCD1) inhibitor MF-438 with implications for future development of Parkinson's disease therapeutics.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

Pandemics involve the high transmission of a disease that impacts global and local health and economic patterns. Epidemiological models help propose pandemic control strategies based on non-pharmaceutical interventions such as social distancing, curfews, and lockdowns, reducing the economic impact of these restrictions. In this research, we utilized an epidemiological Susceptible, Exposed, Infected, Recovered, Deceased (SEIRD) model – a compartmental model for virtually simulating a pandemic day by day.

Cardiovascular diseases are the largest cause of death globally, making it a critical area of focus. The circulatory system is required to make the heart function. One component of this system is blood vessels, which is the focus of our study. Our work aims to demonstrate the numeric relationship between a blood vessel's diameter and the number of pumps needed to transport blood.

Acid rain has caused devastating decreases in ecosystems across the globe. To mimic the effect of acid rain on the environment, the authors analyzed the growth of gram-negative (Escherichia coli) and gram-positive (Staphylococcus epidermidis) bacteria in agar solutions with different pH levels. Results show that in a given acidic environment there was a significant decrease in bacterial growth with an increase in vinegar concentration in the agar, suggesting that bacterial growth is impacted by the pH of the environment. Therefore, increased levels of acid rain could potentially harm the ecosystem by altering bacterial growth.

In this study, the authors test the effect that the tilt angle of a solar panel has on the amount of energy it generates. This investigation highlights a simple way that people can harvest renewable energy more efficiently and effectively.

Here recognizing the importance of urban green space for the health of humans and other organisms, the authors investigated if mathematical modeling can be used to develop an urban greenery management plan with high eco-sustainability by calculating the composition of a plant community. They optimized and tested their model against green fields in a Beijing city park. Although the compositions predicted by their models differed somewhat from the composition of testing fields, they conclude that by using a mathematical model such as this urban green space can be finely designed to be ecologically and economically sustainable.

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.

In this experiment, the authors modify the heat equation to account for imperfect insulation during heat transfer and compare it to experimental data to determine which is more accurate.

Over the last few decades, childhood stunting has persisted as a major global challenge. This study hypothesized that TPTO (Tree-based Pipeline Optimization Tool), an AutoML (automated machine learning) tool, would outperform all pre-existing machine learning models and reveal the positive impact of economic prosperity, strong familial traits, and resource attainability on reducing stunting risk. Feature correlation plots revealed that maternal height, wealth indicators, and parental education were universally important features for determining stunting outcomes approximately two years after birth. These results help inform future research by highlighting how demographic, familial, and socio-economic conditions influence stunting and providing medical professionals with a deployable risk assessment tool for predicting childhood stunting.