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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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Efficacy of Mass Spectrometry Versus 1H Nuclear Magnetic Resonance With Respect to Denaturant Dependent Hydrogen-Deuterium Exchange in Protein Studies

Chenna et al. | Jan 22, 2020

Efficacy of Mass Spectrometry Versus 1H Nuclear Magnetic Resonance With Respect to Denaturant Dependent Hydrogen-Deuterium Exchange in Protein Studies

The misfolding of proteins leads to numerous diseases including Akzheimer’s, Parkinson’s and Type II Diabetes. Understanding of exactly how proteins fold is crucial for many medical advancements. Chenna and Englander addressed this problem by measuring the rate of hydrogen-deuterium exchange within proteins exposed to deuterium oxide in order to further elucidate the process of protein folding. Here, mass spectrometry was used to measure exchange in Cytochrome c and was compared to archived 1H NMR data.

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Assessing the Efficacy of NOX Enzyme Inhibitors as Potential Treatments for Ischemic Stroke in silico

Vinay et al. | Sep 18, 2020

Assessing the Efficacy of NOX Enzyme Inhibitors as Potential Treatments for Ischemic Stroke <i>in silico</i>

Ischemic stroke occurs when blood flow to the brain is interrupted, causing brain damage. This study investigated the effectiveness of different NOX inhibitors as treatments for ischemic stroke in silico. The results help corroborate previous in vivo and in vitro studies in an in silico format, and can be used towards developing drugs to treat ischemic stroke.

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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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Open Source RNN designed for text generation is capable of composing music similar to Baroque composers

Goel et al. | May 05, 2021

Open Source RNN designed for text generation is capable of composing music similar to Baroque composers

Recurrent neural networks (RNNs) are useful for text generation since they can generate outputs in the context of previous ones. Baroque music and language are similar, as every word or note exists in context with others, and they both follow strict rules. The authors hypothesized that if we represent music in a text format, an RNN designed to generate language could train on it and create music structurally similar to Bach’s. They found that the music generated by our RNN shared a similar structure with Bach’s music in the input dataset, while Bachbot’s outputs are significantly different from this experiment’s outputs and thus are less similar to Bach’s repertoire compared to our algorithm.

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A new therapy against MDR bacteria by in silico virtual screening of Pseudomonas aeruginosa LpxC inhibitors

Liu et al. | Apr 27, 2022

A new therapy against MDR bacteria by <em>in silico</em> virtual screening of <em>Pseudomonas aeruginosa</em> LpxC inhibitors

Here, seeking to address the growing threat of multidrug-resistant bacteria (MDR). the authors used in silico virtual screening to target MDR Pseudomonas aeruginosa. They considered a key protein in its biosynthesis and virtually screened 20,000 candidates and 30 derivatives of brequinar. In the end, they identified a possible candidate with the highest degree of potential to inhibit the pathogen's lipid A synthesis.

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A Statistical Comparison of the Simultaneous Attack/ Persistent Pursuit Theory Against Current Methods in Counterterrorism Using a Stochastic Model

Tara et al. | Dec 01, 2020

A Statistical Comparison of the Simultaneous Attack/ Persistent Pursuit Theory Against Current Methods in Counterterrorism Using a Stochastic Model

Though current strategies in counterterrorism are somewhat effective, the Simultaneous Attack/Persistent Pursuit (SAPP) Theory may be superior alternative to current methods. The authors simulated five attack strategies (1 SAPP and 4 non-SAPP), and concluded that the SAPP model was significantly more effective in reducing the final number of terrorist attacks. This demonstrates the comparative advantage of utilizing the SAPP model, which may prove to be critical in future efforts in counterterrorism.

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What Can You See in the Dark? The Effects of Contrast, Light, and Age on Contrast Sensitivity in Low Light

Virostek et al. | Apr 25, 2014

What Can You See in the Dark? The Effects of Contrast, Light, and Age on Contrast Sensitivity in Low Light

Many of us take our vision for granted, but rarely do we measure how well we can see. In this study, the authors investigate the ability of people of different ages to read progressively fainter letters in dark light. They find that the ability to see in dim light drops drastically after age 30. The ability to read fainter letters worsens after age 30 as well. These findings should help inform lighting decisions everywhere from restaurants to road signs.

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