The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program
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Homology modeling of clinically-relevant rilpivirine-resistant HIV-RT variants identifies novel rilpivirine analogs with retained binding affinity against NNRTI-resistant HIV mutations
Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.
Read More...Convolutional neural network-based analysis of pediatric chest X-ray images for pneumonia detection
The authors test various machine learning models to improve the accuracy and efficiency of pneumonia diagnosis from X-ray images.
Read More...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...Hammett linear free-energy relationships in the biocatalytic hydrolysis of para-substituted nitrophenyl benzoate esters
As the world moves towards more eco-friendly methods for chemical synthesis, there's a strong interest in employing enzymes in chemical synthetic processes. Here, the authors explore how the activity of enzymes such as trypsin, lipase and nattokinase is affected by the electronic effects of the substrate they are acting on.
Read More...A Statistical Comparison of the Simultaneous Attack/ Persistent Pursuit Theory Against Current Methods in Counterterrorism Using a Stochastic Model
Though current strategies in counterterrorism are somewhat effective, the Simultaneous Attack/Persistent Pursuit (SAPP) Theory may be superior alternative to current methods. The authors simulated five attack strategies (1 SAPP and 4 non-SAPP), and concluded that the SAPP model was significantly more effective in reducing the final number of terrorist attacks. This demonstrates the comparative advantage of utilizing the SAPP model, which may prove to be critical in future efforts in counterterrorism.
Read More...LawCrypt: Secret Sharing for Attorney-Client Data in a Multi-Provider Cloud Architecture
In this study, the authors develop an architecture to implement in a cloud-based database used by law firms to ensure confidentiality, availability, and integrity of attorney documents while maintaining greater efficiency than traditional encryption algorithms. They assessed whether the architecture satisfies necessary criteria and tested the overall file sizes the architecture could process. The authors found that their system was able to handle larger file sizes and fit engineering criteria. This study presents a valuable new tool that can be used to ensure law firms have adequate security as they shift to using cloud-based storage systems for their files.
Read More...An optimal pacing approach for track distance events
In this study, the authors use existing mathematical models to how high school athletes pace 800 m, 1600 m, and 3200 m distance track events compared to elite athletes.
Read More...Taft linear free-energy relationships in the biocatalytic hydrolysis of sterically hindered nitrophenyl ester substrates
This study applies Taft linear free-energy relationships to study kinetic trends in the enzymatic hydrolysis of sterically hindered substrates.
Read More...Part of speech distributions for Grimm versus artificially generated fairy tales
Here, the authors wanted to explore mathematical paradoxes in which there are multiple contradictory interpretations or analyses for a problem. They used ChatGPT to generate a novel dataset of fairy tales. They found statistical differences between the artificially generated text and human produced text based on the distribution of parts of speech elements.
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