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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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The influence of implicit social pressure on prosocial behavior of adolescents

Carroll et al. | Dec 13, 2021

The influence of implicit social pressure on prosocial behavior of adolescents

In this study the authors sought to understand the influence of implicit social pressure on prosocial behavior (voluntary acts that benefit someone else) in adolescents age 12–19. They considered how participants divided money between themselves and four teammate they did a school project with. Despite being shown examples of how to divide money (social pressure), their results showed that both boys and girls were unaffected by prosocial, neutral, and antisocial pressures.

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Potential Multifunctional Agents for Dual Therapy of Age-Related and Associated Diseases: Alzheimer’s Disease and Type 2 Diabetes Mellitus

Kumar et al. | Nov 13, 2019

Potential Multifunctional Agents for Dual Therapy of Age-Related and Associated Diseases: Alzheimer’s Disease and Type 2 Diabetes Mellitus

Studies show an age-related link between Alzheimer’s Disease and Type 2 Diabetes Mellitus with oxidative stress a characteristic of both. Here, methanolic fractionations and extracts of four Ayurvedic plants were assessed for their protective abilities using a number of in vitro assays. Extracts inhibited oxidative stress and reduced activity of key enzymes involved in the pathogenesis of both diseases in neuroblastoma cells.

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Development of Diet-Induced Insulin Resistance in Drosophila melanogaster and Characterization of the Anti-Diabetic Effects of Resveratrol and Pterostilbene

Dhar et al. | Jul 02, 2018

Development of Diet-Induced Insulin Resistance in Drosophila melanogaster and Characterization of the Anti-Diabetic Effects of Resveratrol and Pterostilbene

Dhar and colleagues established a Type II diabetes mellitus (T2DM) model in fruit flies, using this model to induce insulin resistance and characterize the effects Resveratrol and Pterostilbene on a number of growth and activity metrics. Resveratrol and Pterostilbene treatment notably overturned the weight gain and glucose levels. The results of this study suggest that Drosophila can be utilized as a model organism to study T2DM and novel pharmacological treatments.

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Quantitative definition of chemical synthetic pathway complexity of organic compounds

Baranwal et al. | Jun 19, 2023

Quantitative definition of chemical synthetic pathway complexity of organic compounds

Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.

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Association between nonpharmacological interventions and dementia: A retrospective cohort study

Yerabandi et al. | Jan 09, 2023

Association between nonpharmacological interventions and dementia: A retrospective cohort study
Image credit: Ross Sneddon

Here, the authors investigated the role of nonpharmacological interventions in preventing or delaying cognitive impairment in individuals with and without dementia. By using a retrospective case-control study of 22 participants across two senior centers in San Diego, they found no significant differences in self-reported activities. However, they found that their results reflected activity rather than the activity itself, suggesting the need for an alternative type of study.

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Exploring Unconventional Growing Methods to Promote Healthy Growth in Common Household Plants: Tagetes patula L. and Lepidium sativum

Nguyen et al. | Feb 25, 2021

Exploring Unconventional Growing Methods to Promote Healthy Growth in Common Household Plants: <i>Tagetes patula</i> L. and <i>Lepidium sativum</i>

This study focused on finding more sustainable growing methods that reduce chemical fertilizer or water usage and can be used at the household level for garden plants. Metrics for healthy plant growth were height at first bloom, growing time, and survival rate. The Deep Water Culture (DWC) treatment for garden cress plants significantly increased the height at first bloom compared to the control group. For rates of surviving plants, the treatments had little effect on garden cress, but the Eggshell Grounds, Wick System, and DWC system groups outperformed the control group for marigolds.

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