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Prediction of molecular energy using Coulomb matrix and Graph Neural Network

Hazra et al. | Feb 01, 2022

Prediction of molecular energy using Coulomb matrix and Graph Neural Network

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

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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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Locating sources of a high energy cosmic ray extensive air shower using HiSPARC data

Aziz et al. | Oct 24, 2023

Locating sources of a high energy cosmic ray extensive air shower using HiSPARC data

Using the data provided by the University of Twente High School Project on Astrophysics Research with Cosmics (HiSPARC), an analysis of locations for possible high-energy cosmic ray air showers was conducted. An example includes an analysis conducted of the high-energy rain shower recorded in January 2014 and the use of Stellarium™ to discern its location.

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Efficacy of Rotten and Fresh Fruit Extracts as the Photosensitive Dye for Dye-Sensitized Solar Cells

Jayasankar et al. | Jan 16, 2019

Efficacy of Rotten and Fresh Fruit Extracts as the Photosensitive Dye for Dye-Sensitized Solar Cells

Dye-sensitized solar cells (DSSC) use dye as the photoactive material, which capture the incoming photon of light and use the energy to excite electrons. Research in DSSCs has centered around improving the efficacy of photosensitive dyes. A fruit's color is defined by a unique set of molecules, known as a pigment profile, which changes as a fruit progresses from ripe to rotten. This project investigates the use of fresh and rotten fruit extracts as the photoactive dye in a DSSC.

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Do elders care about eHealth? A correlational study between eHealth consumption and literacy

Liang et al. | Jul 19, 2023

Do elders care about eHealth? A correlational study between eHealth consumption and literacy
Image credit: Liang and Sposa

As digital tools become more prevalent in medicine, the ability for individuals to understand and take actions based on what they read on the internet is crucial. eHealth literacy is defined as as the ability to seek, find, understand, and evaluate health information from electronic sources and apply the knowledge gained to addressing or solving a health problem. In general, Americans have low eHealth literacy rates. However, limited research has been conducted to understand the eHealth literacy level among older Chinese adult immigrants in the U.S. To determine the eHealth literacy of elderly Chinese immigrants, we sent out an eHealth survey and relevant computer skills survey using a modified version of the eHEALS (eHealth Literacy Scale) health literacy test. We hypothesized that elders who consumed more electronic health content would have a higher eHealth literacy score. The results of this survey showed that there was a positive correlation between the frequency of electronic health information consumption and the participant's eHealth literacy rate. In addition, the results of our computer literacy test show that the frequency of consumption and computer literacy are positively correlated as well. There is a strong positive correlation between the level of computer skills and eHealth literacy of participants. These results reveal possible steps individuals can take to reduce health misinformation and improve their own health by attaining, understanding, and taking action on health material on the internet.

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Repulsion of Ants Using Non-Toxic Household Products

Ambati et al. | Sep 10, 2019

Repulsion of Ants Using Non-Toxic Household Products

Ant invasion causes damage exceeding $5 billion annually in North America. In this study, Ambati and Duvvuri aim to identify natural products with ant-repelling properties using a custom ring apparatus designed to quantify ant-repellence. They report that cinnamon and lemon were the most effective ant repellents of the tested products. These data suggest that compounds found in non-toxic household products, such as cinnamon oil and lemon juice, could be used in low-dose combinations as potent, effective, eco-friendly, and safe ant repellents.

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