The authors demonstrate computationally that two types of nanoplastics can bind to estrogen receptor beta and potentially disrupt endocrine systems.
Read More...Computational evidence for differential endocrine disruption by DEHP and PET via estrogen receptor beta binding
The authors demonstrate computationally that two types of nanoplastics can bind to estrogen receptor beta and potentially disrupt endocrine systems.
Read More...Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence
Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.
Read More...Do self-expression values affect global jazz popularity? An analysis of postmaterialism and political activity
Jazz music is a unique American art form that has spread around the world. Iyer and Iyer study this spread through a computational sociology project examining how jazz popularity is correlated with postmaterialism (an ideology that values self-expression) and political activity.
Read More...Pressure and temperature influence the efficacy of metal-organic frameworks for carbon capture and conversion
Metal-organic frameworks (MOFs) are promising new nanomaterials for use in the fight against climate change that can efficiently capture and convert CO2 to other useful carbon products. This research used computational models to determine the reaction conditions under which MOFs can more efficiently capture and convert CO2. In a cost-efficient manner, this analysis tested the hypothesis that pressure and temperature affect the efficacy of carbon capture and conversion, and contribute to understanding the optimal conditions for MOF performance to improve the use of MOFs for controlling greenhouse CO2 emissions.
Read More...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...Levering machine learning to distinguish between optimal and suboptimal basketball shooting forms
The authors looked at different ways to build computational resources that would analyze shooting form for basketball players.
Read More...A computational quantum chemical study of fluorinated Allopurinol
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...Indoor near-field target detection characteristics under radio and radar joint operation at 2.4 GHz ISM band
In our modern age, the burgeoning use of radios and radars has resulted in competition for electromagnetic spectrum resources. With recent research highlighting solutions to radio and radar mutual interference, there is a desperate need for a cost-effective configuration that permits a radar-radio joint system. In this study, the authors have set out to determine the feasibility of using single-tone continuous-wave radars in a radar-joint system. With this system, they aim to facilitate cost-effective near-field target detection by way of the popularized 2.4-GHz industrial, scientific, and medical (ISM) band.
Read More...Analysis of the effects of positive ions and boundary layer temperature at various hypersonic speeds on boundary layer density
This study's goal was to identify the Mach numbers for which electrostatic drag and heat transfer manipulation would be most applicable inside the stratosphere. The experiments were conducted using computational fluid dynamics software. The study demonstrated that, on average, higher Mach speeds resulted in a considerably higher potential decrease in density. The study highlights that further research on the surface charge method is warranted to explore higher hypersonic speeds within the stratosphere.
Read More...An analysis of junior rower performance and how it is affected by rower's features
In this study, with consideration for the increasing participation of high school students in indoor rowing, the authors analyzed World Indoor Rowing Championship data. Statistical analysis revealed two key features that can determine the performance of a rower as well as increasing competitiveness in nearly all categories considered. They conclude by offering a 2000-meter ergometer time distribution that can help junior rowers assess their current performance relative to the world competition.
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