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In silico modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Suresh et al. | Jan 10, 2022

<i>In silico</i> modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Here, through protein-ligand docking, the authors investigated the effect of the interaction of emodin with serine/threonine kinases, a subclass of kinases that is overexpressed in many cancers, which is implicated in phosphorylation cascades. Through molecular dynamics theyfound that emodin forms favorable interactions with chitosan and chitosan PEG (polyethylene glycol) copolymers, which could aid in loading drugs into nanoparticles (NPs) for targeted delivery to cancerous tissue. Both polymers demonstrated reasonable entrapment efficiencies, which encourages experimental exploration of emodin through targeted drug delivery vehicles and their anticancer activity.

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Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

Gangal et al. | Oct 05, 2023

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.

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Effect of hypervitaminosis A in regenerating planaria: A potential model for teratogenicity testing

Bennet et al. | Dec 12, 2022

Effect of hypervitaminosis A in regenerating planaria: A potential model for teratogenicity testing

This unique research study evaluated the potential use of the flatworm, brown planaria (Dugesia tigrine), as an alternative model for teratogenicity testing. In this study, we exposed amputated planaria to varying concentrations of a known teratogen, vitamin A (retinol), for approximately 2 weeks, and evaluated multiple parameters including the formation of blastema and eyes. The results from this study demonstrated that high concentrations of retinol caused defects in head and eye formation in regenerating planaria, with similarities to vitamin A related teratogenicity findings in mammals. Based on these results, regenerating brown planaria are a promising alternative model for teratogenicity testing, which can potentially be paradigm shifting as it can reduce cost, time, and pregnant animal use in research.

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Discovery of the Heart in Mathematics: Modeling the Chaotic Behaviors of Quantized Periods in the Mandelbrot Set

Golla et al. | Dec 14, 2020

Discovery of the Heart in Mathematics: Modeling the Chaotic Behaviors of Quantized Periods in the Mandelbrot Set

This study aimed to predict and explain chaotic behavior in the Mandelbrot Set, one of the world’s most popular models of fractals and exhibitors of Chaos Theory. The authors hypothesized that repeatedly iterating the Mandelbrot Set’s characteristic function would give rise to a more intricate layout of the fractal and elliptical models that predict and highlight “hotspots” of chaos through their overlaps. The positive and negative results from this study may provide a new perspective on fractals and their chaotic nature, helping to solve problems involving chaotic phenomena.

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Comparing the Effects of Different Natural Products on Reducing Tumor Growth in a Drosophila Model

Ganesh et al. | May 31, 2020

Comparing the Effects of Different Natural Products on Reducing Tumor Growth in a <i>Drosophila</i> Model

In this work, the authors compared the effects of common natural products, including sesame, cinnamon, garlic, moringa and turmeric on tumor growth in Drosophila eyes. The data showed that these natural products cannot be used to reduce tumor growth once it has completely formed. However, the data suggested that some natural products can reduce cancer cell growth when tumors are treated early.

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Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models

Lee et al. | Mar 30, 2022

Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models

Inefficient penetration of cancer drugs into the interior of the three-dimensional (3D) tumor tissue limits drugs' delivery. The authors hypothesized that the addition of phospholipase A2 (PLA2) would increase the permeability of the drug doxorubicin for efficient drug penetration. They found that 1 mM PLA2 had the highest permeability. Increased efficiency in drug delivery would allow lower concentrations of drugs to be used, minimizing damage to normal cells.

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Modeling Energy Produced by Solar Panels

Meister et al. | Jan 13, 2018

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.

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A land use regression model to predict emissions from oil and gas production using machine learning

Cao et al. | Mar 24, 2023

A land use regression model to predict emissions from oil and gas production using machine learning

Emissions from oil and natural gas (O&G) wells such as nitrogen dioxide (NO2), volatile organic compounds (VOCs), and ozone (O3) can severely impact the health of communities located near wells. In this study, we used O&G activity and wind-carried emissions to quantify the extent to which O&G wells affect the air quality of nearby communities, revealing that NO2, NOx, and NO are correlated to O&G activity. We then developed a novel land use regression (LUR) model using machine learning based on O&G prevalence to predict emissions.

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