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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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More Efficient Helicopter Blades Based on Whale Tubercles

Weitzman et al. | Dec 22, 2013

More Efficient Helicopter Blades Based on Whale Tubercles

Biomimicry is the practice of applying models and systems found in nature to improve the efficiency and usefulness of human technologies. In this study, the authors designed helicopter blades with tubercle structures similar to those found on the tails of humpback whales. The authors found that certain arrangements of these tubercle structures improved the windspeed and efficiency of a model helicopter.

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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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Impact of Population Density and Elevation on Tuberculosis Spread and Transmission in Maharashtra, India

Rao et al. | Nov 07, 2021

Impact of Population Density and Elevation on Tuberculosis Spread and Transmission in Maharashtra, India

India accounts for over 2.4 million recorded cases of tuberculosis, about 26% of the world’s cases. This research ascertained the bearing of both the population density and the average elevation above mean sea level (MSL) on the number of cases of TB recorded by the districts in Maharashtra, India. The results found a strong positive correlation between the number of TB cases per thousand people and the population density and a strong negative correlation between the number of TB cases per thousand people and the average elevation above MSL.

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