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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

Luk et al. | Jan 24, 2022

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.

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Genomic Signature Analysis for the Strategic Bioremediation of Polycyclic Aromatic Hydrocarbons in Mangrove Ecosystems in the Gulf of Tonkin

Dao et al. | Jun 27, 2021

Genomic Signature Analysis for the Strategic Bioremediation of Polycyclic Aromatic Hydrocarbons in Mangrove Ecosystems in the Gulf of Tonkin

Engineered bacteria that degrade oil are currently being considered as a safe option for the treatment of oil spills. For this approach to be successful, the bacteria must effectively express oil-degrading genes they uptake as part of an external genoming vehicle called a "plasmid". Using a computational approach, the authors investigate plasmid-bacterium compatibility to find pairs that ensure high levels of gene expression.

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LawCrypt: Secret Sharing for Attorney-Client Data in a Multi-Provider Cloud Architecture

Zhang et al. | Jul 19, 2020

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.

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Cocktail therapy to inhibit multispecies biofilm in cystic fibrosis patients

Bhat et al. | Sep 22, 2022

Cocktail therapy to inhibit multispecies biofilm in cystic fibrosis patients

Here, recognizing the important role of bacterial biofilms in many life-threatening chronic infections, the authors investigated the effectiveness of a combination treatment on biofilms composed of up to three different common species within the lungs of cystic fibrosis patients with computational analysis. They found that a triple cocktail therapy targeting three different signaling pathways has significant potential as both a treatment and prophylaxis.

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Analysis of the effects of positive ions and boundary layer temperature at various hypersonic speeds on boundary layer density

Selvakumar et al. | Oct 02, 2020

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.

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The Effect of Interactive Electronics Use on Psychological Well Being and Interpersonal Relationship Quality in Adults

Belkin et al. | Apr 19, 2018

The Effect of Interactive Electronics Use on Psychological Well Being and Interpersonal Relationship Quality in Adults

In recent years, usage of interactive electronic devices such as computers, smartphones, and tablets has increased dramatically. Many studies have examined the potential adverse effects of excessive usage of such devices on children and adolescents, but the effects on adults are not well understood. In this study, the authors examined the relationship between adult usage of interactive electronic devices and a variety of clinical measures of psychological well-being. They found that according to some metrics, higher usage of interactive electronic devices is associated with several adverse psychological outcomes, suggesting a need for more careful consideration of such usage patterns in clinical settings.

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The Cohesiveness of the Oscillating Belousov-Zhabotinsky Reaction

Gottlieb et al. | Dec 18, 2018

The Cohesiveness of the Oscillating Belousov-Zhabotinsky Reaction

In this study the author undertakes a careful characterization of a special type of chemical reaction, called an oscillating Belousov-Zhabotinsky (or B-Z) reaction, which has a number of existing applications in biomedical engineering as well as the potential to be useful in future developments in other fields of science and engineering. Specifically, she uses experimental measurements in combination with computational analysis to investigate whether the reaction is cohesive – that is, whether the oscillations between chemical states will remain consistent or change over time as the reaction progresses. Her results indicate that the reaction is not cohesive, providing an important foundation for the development of future technologies using B-Z reactions.

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Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Yu et al. | Sep 12, 2022

Modular mimics of neuroactive alkaloids - design, synthesis, and cholinesterase inhibitory activity of rivastigmine analogs

Naturally occurring neuroactive alkaloids are often studied for their potential to treat Neurological diseases. This team of students study Rivastigmine, a potent cholinesterase inhibitor that is a synthetic analog of physostigmine, which comes from the Calabar bean plant Physostigma venenosum. By comparing the effects of optimized synthetic analogs to the naturally occurring alkaloid, they determine the most favorable analog for inhibition of acetylcholinesterase (AChE), the enzyme that breaks down the neurotransmitter acetylcholine (ACh) to terminate neuronal transmission and signaling between synapses.

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