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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Racemic serine is less soluble than pure enantiomers due to stronger intermolecular hydrogen bonds
Seeking to develop a better understanding of the chemical and physical properties of amino acids that compose proteins, here the authors investigated the unusual relative insolubility of racemic mixtures of D- and L-serine compared to the solubility of pure D- or L-serine. The authors used a combination of microscopy and temperature measurements alongside previous X-ray diffraction studies to conclude that racemic DL-serine crystals consist of comparatively stronger hydrogen bond interactions compared to crystals of pure enantiomers. These stronger interactions were found to result in the unique release of heat during the crystallization of racemic mixtures.
Read More...Design and in silico screening of analogs of rilpivirine as novel non-nucleoside reverse transcriptase inhibitors (NNRTIs) for antiretroviral therapy
In this study, the authors use high-throughput virtual screening to design and evaluate a set of non-nucleoside reverse transcriptase inhibitors for binding affinity to the protein reverse transcriptase. These studies have important applications toward HIV therapies.
Read More...A Quantitative Assessment of Time, Frequency, and Time-frequency Algorithms for Automated Seizure Detection and Monitoring
Each year, over 100,000 patients die from Sudden Unexpected Death in Epilepsy (SUDEP). A reliable seizure warning system can help patients stay safe. This work presents a comprehensive, comparative analysis of three different signal processing algorithms for automated seizure/ictal detection. The experimental results show that the proposed methods can be effective for accurate automated seizure detection and monitoring in clinical care.
Read More...A Study on the Coagulating Properties of the M. oleifera Seed
In this study, the authors investigate whether Moringa Oleifera seeds can serve as material to aid in purifying water. M. oleifera seeds have coagulating properties and the authors hypothesized that including it in a water filtration system would reduce particles, specifically bacteria, in water. Their results show that this system removed the largest percent of bacteria. When used in combination with cilantro, it was actually more efficient than the other techniques! These findings have important implications for creating better and more economical water purification systems.
Read More...The Effect of Varying Training on Neural Network Weights and Visualizations
Neural networks are used throughout modern society to solve many problems commonly thought of as impossible for computers. Fountain and Rasmus designed a convolutional neural network and ran it with varying levels of training to see if consistent, accurate, and precise changes or patterns could be observed. They found that training introduced and strengthened patterns in the weights and visualizations, the patterns observed may not be consistent between all neural networks.
Read More...Nintendo Da Vinci: A Novel Control System to Improve Performance in Robotic-Assisted Surgery
Complications of robotic-assisted surgery are on the rise, partly due to surgeons not receiving proper training. Al-Akash and Al-Akash hypothesized Nintendo JoyCon controls would improve surgical performance compared to the FDA-approved Da Vinci Surgical System with two user groups (doctor and gamer). Their results show that implementing a Nintendo JoyCon control system is associated with improved surgical performance and learning rate compared to the Da Vinci Surgical System.
Read More...The Effect of Caffeine on the Regeneration of Brown Planaria (Dugesia tigrina)
The degeneration of nerve cells in the brain can lead to pathologies such as Parkinson’s disease. It has been suggested that neurons in humans may regenerate. In this study, the effect of different doses of caffeine on regeneration was explored in the planeria model. Caffeine has been shown to enhance dopamine production, and dopamine is found in high concentrations in regenerating planeria tissues. Higher doses of caffeine accelerated planeria regeneration following decapitation, indicating a potential role for caffeine as a treatment to stimulate regeneration.
Read More...Measuring Exoplanetary Radii Using Transit Photometry
Studying exoplanets, or planets that orbit a star other than the Sun, is critical to a greater understanding the formation of planets and how Earth's solar system differs from others. In this study the authors analyze the transit light curves of three hot Jupiter exoplanets to ultimately determine if and how these planets have changed since their discovery.
Read More...3D Printed Polymer Scaffolds for Bone Tissue Regeneration
Scientists are always on the quest to improve the body's healing abilities and broken bones are no exception. In this article, the authors investigate properties of 3D-printed biocompatible polymers used to improve bone healing. With such efforts, we can hope to, one day, improve bone scaffolding materials in ways that make the natural healing processes more efficient, reducing the time needed for recovery from bone fractures.
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