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Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes

Pan et al. | Mar 06, 2024

Impact of carbon number and atom number on cc-pVTZ Hartree-Fock Energy and program runtime of alkanes
Image credit: The authors

It's time-consuming to complete the calculations that are used to study nuclear reactions and energy. To uncover which computational chemistry tools are useful for this challenge, Pan, Vaiyakarnam, Li, and McMahan investigated whether the Python-based Simulations of Chemistry Framework’s Hartree-Fock (PySCF) method is an efficient and accurate way to assess alkane molecules.

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Herbal Extracts Alter Amyloid Beta Levels in SH-SY5Y Neuroblastoma Cells

Xu et al. | Feb 25, 2020

Herbal Extracts Alter Amyloid Beta Levels in SH-SY5Y Neuroblastoma Cells

Alzheimer’s disease (AD) is a type of dementia that affects more than 5.5 million Americans, and there are no approved treatments that can delay the advancement of the disease. In this work, Xu and Mitchell test the effects of various herbal extracts (bugleweed, hops, sassafras, and white camphor) on Aβ1-40 peptide levels in human neuroblastoma cells. Their results suggest that bugleweed may have the potential to reduce Aβ1-40 levels through its anti-inflammatory properties.

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Development of a Novel Treatment Strategy to Treat Parkinsonian Neurodegeneration by Targeting Both Lewy Body Aggregation and Dopaminergic Neuronal Degradation in a Drosophila melanogaster Model

Sama et al. | Sep 25, 2019

Development of a Novel Treatment Strategy to Treat Parkinsonian Neurodegeneration by Targeting Both Lewy Body Aggregation and Dopaminergic Neuronal Degradation in a <em>Drosophila melanogaster</em> Model

In this article the authors address the complex and life quality-diminishing neurodegenerative disease known as Parkinson's. Although genetic and/or environmental factors contribute to the etiology of the disease, the diagnostic symptoms are the same. By genetically modifying fruit flies to exhibit symptoms of Parkinson's disease, they investigate whether drugs that inhibit mitochondrial calcium uptake or activate the lysosomal degradation of proteins could improve the symptoms of Parkinson's these flies exhibit. The authors report the most promising outcome to be that when both types of drugs were used together. Their data provides encouraging evidence to support further investigation of the utility of such drugs in the treatment of human Parkinson's patients.

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Development of selective RAC1/KLRN inhibitors

Kubrat Neczaj-Hruzewicz et al. | Nov 04, 2024

Development of selective RAC1/KLRN inhibitors

Kalirin is a guanine nucleotide exchange factor (GEF) for the GTPase RAC1, linked to schizophrenia and Alzheimer’s Disease. It plays a crucial role in synaptic plasticity by regulating dendritic spine formation and actin cytoskeleton remodeling, which are essential for creating new synapses. Authors developed two novel compounds targeting kalirin, confirming that predictive modeling can indicate biological activity.

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Determination of Optimal Relevant Joint Angles for Vertical Jump Height Across Teenagers with Differing Amounts of Jumping Experience

Bahng et al. | May 09, 2021

Determination of Optimal Relevant Joint Angles for Vertical Jump Height Across Teenagers with Differing Amounts of Jumping Experience

Reaching one’s maximum jump height requires optimizing one’s jump techniques. In order to find this optimal jump technique, three high school participants with varying vertical jump (VJ) abilities recorded videos of themselves with varying degrees of maximum/minimum shoulder, knee, and hip angles—with or without respect to the horizontal—at the isometric phase of a regular countermovement (CM) VJ or countermovement jump (CMJ). Results showed that the shoulder angle without respect to the horizontal (SA), knee angle with respect to the horizontal (KAH), and the hip angle with respect to the horizontal (HAH) possessed a more consistent correlation with VJ height across the subjects compared to the same respective angles with opposite relations to the horizontal.

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An Analysis of the Density and Patterns of the Solutions of Diophantine Equations of the Third Power

Grewal et al. | Oct 05, 2020

An Analysis of the Density and Patterns of the Solutions of Diophantine Equations of the Third Power

In this study, the authors sought to find out how many mathematical solutions there were to the Indian mathematician Ramanujan's formula, which is a3 + b3 + c3 = d3, and also quantify the densities its solutions. They wrote their own computer program to do so and kept values of a, b, and c less than 10,000. While conducting the analysis, they were also looking for perfect power taxicab numbers and their frequency. They were able to find solutions and densities for the equation. Additionally, while they found that most perfect cube taxicab numbers had a frequency of 2 or 3, they also found on number with a frequency of 42!

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Analysis of the effects of positive ions and boundary layer temperature at various hypersonic speeds on boundary layer density

Selvakumar et al. | Oct 02, 2020

Analysis of the effects of positive ions and boundary layer temperature at various hypersonic speeds on boundary layer density

This study's goal was to identify the Mach numbers for which electrostatic drag and heat transfer manipulation would be most applicable inside the stratosphere. The experiments were conducted using computational fluid dynamics software. The study demonstrated that, on average, higher Mach speeds resulted in a considerably higher potential decrease in density. The study highlights that further research on the surface charge method is warranted to explore higher hypersonic speeds within the stratosphere.

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Solubility of graphite and the efficacy of using its dissolved form as a conductive paste

Kirby et al. | Aug 23, 2024

Solubility of graphite and the efficacy of using its dissolved form as a conductive paste

This study explored the use of graphite's conductivity for circuit boards by creating a conductive paste through exfoliation with organic solvents and sonication. The combination of acetone and sonication was found to be the most effective, producing a high-conductivity paste with desirable properties such as a low boiling point. While not a replacement for wires, this conductive paste has potential applications in electronics and infrastructure, provided that key engineering challenges are addressed.

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