Browse Articles

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.

Read More...

Testing Epoxy Strength: The High Strength Claims of Selleys’s Araldite Epoxy Glues

Nguyen et al. | Jul 14, 2020

Testing Epoxy Strength: The High Strength Claims of Selleys’s Araldite Epoxy Glues

Understanding the techniques used to improve the adhesion strength of the epoxy resin is important especially for consumer applications such as repairing car parts, bonding aluminum sheeting, and repairing furniture or applications within the aviation or civil industry. Selleys Araldite epoxy makes specific strength claims emphasizing that the load or weight that can be supported by the adhesive is 72 kg/cm2. Nguyen and Clarke aimed to test the strength claims of Selley’s Araldite Epoxy by gluing two steel adhesion surfaces: a steel tube and bracket. Results showed that there is a lack of consideration by Selleys for adhesion loss mechanisms and environmental factors when accounting for consumer use of the product leading to disputable claims.

Read More...

What is the optimal fuel for space flight? Efficiency, cost, and environmental impact

Kapitonova et al. | Dec 28, 2023

What is the optimal fuel for space flight? Efficiency, cost, and environmental impact
Image credit: NASA

Here, the authors sought to investigate the efficiency, cost, and environmental impact of several possible propellants that are or could be used for space flight. By deriving three novel equations, they identified harm, energy, and cost scores for each fuel, suggesting that considering each factor will be essential to the ongoing growth of the space industry.

Read More...

Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone

Mandava et al. | Dec 16, 2023

Quantitative NMR spectroscopy reveals solvent effects in the photochemical degradation of thymoquinone

Thymoquinone is a compound of great therapeutic potential and scientific interest. However, its clinical administration and synthetic modifications are greatly limited by its instability in the presence of light. This study employed quantitative 1H nuclear magnetic resonance (NMR) spectroscopy to identify the effect of solvation on the degradation of thymoquinone under ultraviolet light (UV). It found that the rate of degradation is highly solvent dependent occurs maximally in chloroform.

Read More...

A novel filtration model for microplastics using natural oils and its application to the environment

Park et al. | Jun 27, 2022

A novel filtration model for microplastics using natural oils and its application to the environment

Recognizing the need for a method to filter microplastics from polluted water the authors sought to use nonpolar solvents, palm oil and palm kernel oil, to filter microplastics out of model seawater. By relying on the separation of polar and nonpolar solvents followed by freezing the nonpolar solvent, they reported that microplastics could be extracted with percentages ranging from 96.2% to 94.2%. They also provided an estimation to use this method as part of container ships to clean the Pacific Ocean of microplastics.

Read More...