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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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Nitric Oxide Synthesis/Pathway Inhibitors in Daphnia magna Reverse Alcohol-Induced Heart Rate Decrease

Gunturi et al. | Sep 17, 2019

Nitric Oxide Synthesis/Pathway Inhibitors in Daphnia magna Reverse Alcohol-Induced Heart Rate Decrease

Chronic alcohol consumption can cause cardiac myopathy, which afflicts about 500,000 Americans annually. Gunturi et al. wanted to understand the effects of alcohol on heart rate and confirm the role of nitric oxide (NO) signaling in heart rate regulation. Using the model organism Daphnia magna, a water crustacean with a large, transparent heart, they found that the heart rate of Daphnia magna was reduced after treatment with alcohol. This depression could be reversed after treatment with inhibitors of NO synthesis and signaling. Their work has important implications for how we understand alcohol-induced effects on heart rate and potential treatments to reverse heart rate depression as a result of alcohol consumption.

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Testing the Effects of Salep Derived From the Tubers of Orchis mascula, Aloe vera, and Alpha-chymotrypsin on Wound Healing in Drosophila melanogaster Larvae

Halder et al. | Sep 09, 2019

Testing the Effects of Salep Derived From the Tubers of <em>Orchis mascula</em>, <em>Aloe vera</em>, and Alpha-chymotrypsin on Wound Healing in <em>Drosophila melanogaster</em> Larvae

Aloe vera and alpha-chymotrypsin have been used in are known for their various wound healing properties. Halder et al hypothesized that these treatments would enhance wound healing in Drosophila melanogaster larvae over 2 weeks by decreasing wound size more effectively compared to controls. The results of two of the treatment groups, Salep and Aloe vera, yielded wound sizes small enough to present a significant percent decrease when compared with the wound sizes of the control group. Their results show support that both Salep and Aloe vera were effective for enhancing wound healing in epithelial cells in D. melanogaster larvae.

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The Effect of Common Cations on DNA Degradation

Larina et al. | Nov 06, 2016

The Effect of Common Cations on DNA Degradation

Heating of DNA-containing solutions is a part of many experiment protocols, but it can also cause damage and degradation of the DNA molecules, potentially leading to error in the experimental results. The authors of this paper investigate whether the presence of certain cations during heating can stabilize the DNA polymer and aid the preservation of the molecule.

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Development of selective RAC1/KLRN inhibitors

Kubrat Neczaj-Hruzewicz et al. | Nov 04, 2024

Development of selective RAC1/KLRN inhibitors

Kalirin is a guanine nucleotide exchange factor (GEF) for the GTPase RAC1, linked to schizophrenia and Alzheimer’s Disease. It plays a crucial role in synaptic plasticity by regulating dendritic spine formation and actin cytoskeleton remodeling, which are essential for creating new synapses. Authors developed two novel compounds targeting kalirin, confirming that predictive modeling can indicate biological activity.

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