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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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Modeling the heart’s reaction to narrow blood vessels

Athulathmudali et al. | May 22, 2023

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.

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Androgen Diffusion Patterns in Soil: Potential Watershed Impacts

Corson et al. | Jan 24, 2019

Androgen Diffusion Patterns in Soil: Potential Watershed Impacts

Androgens are natural or synthetic steroid hormones that control secondary male sex characteristics. Androgens are excreted in cattle urine and feces, and can run off or seep into nearby waters, negatively impacting aquatic life and potentially polluting human water sources. Here, the authors investigated the effectiveness of soil as a natural barrier against androgen flow into vulnerable waterways. Their results, obtained by testing diffusion patterns of luminol, an androgen chemical analog, indicated that soil is a poor barrier to androgen diffusion.

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Characterization of a UPEC DegS Mutant in vitro and in vivo

Bradley et al. | Mar 16, 2015

Characterization of a UPEC <em>DegS</em> Mutant <em>in vitro</em> and <em>in vivo</em>

DegS is an integral inner membrane protein in E. coli that helps break down misfolded proteins. When it is mutated, there is a large increase in the production of outer membrane vesicles (OMVs), which are thought to play a role in pathogenesis. This study used mutant strains of uropathogenic E. coli (UPEC) to characterize the role of DegS and OMVs on UPEC virulence.

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Aberrant response to dexamethasone suppression test associated with inflammatory response in MDD patients

Ulery et al. | Nov 06, 2023

Aberrant response to dexamethasone suppression test associated with inflammatory response in MDD patients

Major depressive disorder (MDD) is a prevalent mood disorder. The direct causes and biological mechanisms of depression still elude understanding, though genetic factors have been implicated. This study looked to identify the mechanism behind the aberrant response to the dexamethasone suppression test (DST) displayed by MDD patients, in which they display a lack of cortisol suppression. Analysis revealed several pro-inflammatory genes that were significant and differentially expressed between affected and non-affected groups in response to the DST. Looking at ways to decrease the inflammatory response could have implications for treatment and may explain why some people treated for depression still display symptoms or may lead researchers to different classes of drugs for treatment.

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An efficient approach to automated geometry diagram parsing

Date et al. | Oct 02, 2022

An efficient approach to automated geometry diagram parsing

Here, beginning from an initial interest in the possibility to use a computer to automatically solve a geometry diagram parser, the authors developed their own Fast Geometry Diagram Parser (FastGDP) that uses clustering and corner information. They compared their own methods to a more widely available, method, GeoSolver, finding their own to be an order of magnitude faster in most cases that they considered.

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