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Computational development of aryl sulfone compounds as potential NNRTIs

Zhang et al. | Oct 12, 2022

Computational development of aryl sulfone compounds as potential NNRTIs

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) are allosteric inhibitors that bind to the HIV reverse transcriptase and prevent replication. Indolyl aryl sulfones (IAS) and IAS derivatives have been found to be highly effective against mutant strains of HIV-1 reverse transcriptase. Here, we analyzed molecules designed using aryl sulfone scaffolds paired to cyclic compounds as potential NNRTIs through the computational design and docking of 100 novel NNRTI candidates. Moreover, we explored the specific combinations of functional groups and aryl sulfones that resulted in the NNRTI candidates with the strongest binding affinity while testing all compounds for carcinogenicity. We hypothesized that the combination of an IAS scaffold and pyrimidine would produce the compounds with the best binding affinity. Our hypothesis was correct as the series of molecules with an IAS scaffold and pyrimidine exhibited the best average binding affinity. Additionally, this study found 32 molecules designed in this procedure with higher or equal binding affinities to the previously successful IAS derivative 5-bromo-3-[(3,5-dimethylphenyl)sulfonyl]indole-2-carboxyamide when docked to HIV-1 reverse transcriptase.

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The Development of a Highly Sensitive Home Diagnosis Kit for Group A Streptococcus Bacteria (GAS)

Mai et al. | Dec 05, 2018

The Development of a Highly Sensitive Home Diagnosis Kit for Group A Streptococcus Bacteria (GAS)

In this article, Mai et al. have developed a do-it-yourself kit for the detection of Strep A bacterial infections. While Strep A infections require antibiotic administration, viral infections, which can present with similar symptoms, often resolve on their own. The problem with delayed antibiotic treatment is an increasing risk of complications. Currently an accurate diagnosis requires that patients make the trip to the hospital where sensitive tests can be performed. The method described here, bundled into a commercially available kit, could help speed up the identification of such bacterial infections. When presented with symptoms of a sore throat and fever, you could just buy the kit at your local pharmacy, perform the simple yet highly accurate and sensitive test, and know whether an urgent trip to the doctor's for an antibiotic prescription is necessary. How convenient!

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The Development and Maximization of a Novel Photosynthetic Microbial Fuel Cell Using Rhodospirillum rubrum

Gomez et al. | Mar 02, 2014

The Development and Maximization of a Novel Photosynthetic Microbial Fuel Cell Using <em>Rhodospirillum rubrum</em>

Microbial fuel cells (MFCs) are bio-electrochemical systems that utilize bacteria and are promising forms of alternative energy. Similar to chemical fuel cells, MFCs employ both an anode (accepts electrons) and a cathode (donates electrons), but in these devices the live bacteria donate the electrons necessary for current. In this study, the authors assess the functionality of a photosynthetic MFC that utilizes a purple non-sulfur bacterium. The MFC prototype they constructed was found to function over a range of environmental conditions, suggesting its potential use in industrial models.

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Quantitative analysis and development of alopecia areata classification frameworks

Dubey et al. | Jun 03, 2024

Quantitative analysis and development of alopecia areata classification frameworks

This article discusses Alopecia areata, an autoimmune disorder causing sudden hair loss due to the immune system mistakenly attacking hair follicles. The article introduces the use of deep learning (DL) techniques, particularly convolutional neural networks (CNN), for classifying images of healthy and alopecia-affected hair. The study presents a comparative analysis of newly optimized CNN models with existing ones, trained on datasets containing images of healthy and alopecia-affected hair. The Inception-Resnet-v2 model emerged as the most effective for classifying Alopecia Areata.

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Effect of Increasing Concentrations of Cannabidiol (CBD) on Hatching, Survival and Development of Artemia salina

Rabbani et al. | Jul 27, 2020

Effect of Increasing Concentrations of Cannabidiol (CBD) on Hatching, Survival and Development of <em>Artemia salina</em>

Cannabidiol, or CBD, is a widely available over the counter treatment used for various medical conditions. However, CBD exerts its effects on the endocannabinoid system, which is involved in neural maturation, and could potentially have adverse effects on brain development. Here, the impact of CBD on the development of brine shrimp (Artemia salina) was assessed. Differences in dose responses were observed.

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Changes for Development of Al2O3 Coated PVA (Polyvinyl Alcohol) Composite Nonwoven Separator For Improving Thermal and Electrochemical Properties

Kim et al. | Oct 16, 2019

Changes for Development of Al2O3 Coated PVA (Polyvinyl Alcohol) Composite Nonwoven Separator For Improving Thermal and Electrochemical Properties

Lithium-ion batteries, a breakthrough in chemistry that enabled the electronic revolution we live today have become an essential part of our day-to-day life. A phone battery running out after a heavy day of use with limited opportunities for recharging is a well-known and resented experience by almost everyone. How then can we make batteries more efficient? This paper proposes the use of a different type of separator, that improves the charging and discharging capacities of lithium ions compared to the classical separator. This and similar attempts to improve Lithium-ion battery function could facilitate the development of higher-performance batteries that work longer and withstand harsher use.

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Presoaking Seeds with Vinegar Improves Seed Development and Drought Tolerance in Maize Plants

D'Agate et al. | Jul 24, 2020

Presoaking Seeds with Vinegar Improves Seed Development and Drought Tolerance in Maize Plants

Climate change has contributed to the increasing annual temperatures around the world and poses a grave threat to Maize crops. Two methods proven to help combat plant drought stress effects are presoaking seeds (seeds are soaked in a liquid before planting) and the application of Acetic Acid (vinegar) to soil. The purpose of this experiment was to explore if combining these two methods by presoaking seeds with a vinegar solution can improve the seed development and plant drought tolerance of Maize plants during drought conditions.

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Investigating KNOX Gene Expression in Aquilegia Petal Spur Development

Hossain et al. | Feb 03, 2014

Investigating KNOX Gene Expression in Aquilegia Petal Spur Development

Plants, and all other multi-cellular organisms, develop through the coordinated action of many sets of genes. The authors here investigate the genes, in a class named KNOX, potentially responsible for organizing a certain part of Aquilegia (columbine) flowers called petal spurs. Through the technique Reverse Transcription-Polymerase Chain Reaction (RT-PCR), they find that certain KNOX genes are expressed non-uniformly in petal spurs, suggesting that they may be involved, perhaps in a cell-specific manner. This research will help guide future efforts toward understanding how many beautiful flowers develop their unique shapes.

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