Investigation of the largest rigid shape that can be moved through a circular hallway of unit width with an arbitrary turn angle
Read More...Modeling the moving sofas in circular hallways using geometric methods
Investigation of the largest rigid shape that can be moved through a circular hallway of unit width with an arbitrary turn angle
Read More...Modeling stearoyl-coenzyme A desaturase 1 inhibitors to ameliorate α-Syn cytotoxicity in Parkinson's disease
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.
Read More...Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets
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.
Read More...Modeling and optimization of epidemiological control policies through reinforcement learning
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.
Read More...Modeling the heart’s reaction to narrow blood vessels
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.
Read More...Modeling the effects of acid rain on bacterial growth
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.
Read More...Modeling Energy Produced by Solar Panels
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.
Read More...Predictive modeling of cardiovascular disease using exercise-based electrocardiography
The authors looked factors that could lead to earlier diagnosis of cardiovascular disease thereby improving patient outcomes. They found that advances in imaging and electrocardiography contribute to earlier detection of cardiovascular disease.
Read More...Mathematical modeling of plant community composition for urban greenery plans
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.
Read More...Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations
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.
Read More...