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Singlet oxygen production analysis of reduced berberine analogs via NMR spectroscopy

Su et al. | Feb 10, 2023

Singlet oxygen production analysis of reduced berberine analogs via NMR spectroscopy

Berberine is a natural product isoquinoline alkaloid derived from plants of the genus Berberis. When exposed to photoirradiation, it produces singlet oxygen through photosensitization of triplet oxygen. Through qNMR analysis of 1H NMR spectra gathered through kinetic experiments, we were able to track the generation of a product between singlet oxygen and alpha terpinene, allowing us to quantitatively measure the photosensitizing properties of our scaffolds.

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In silico modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Suresh et al. | Jan 10, 2022

<i>In silico</i> modeling of emodin’s interactions with serine/threonine kinases and chitosan derivatives

Here, through protein-ligand docking, the authors investigated the effect of the interaction of emodin with serine/threonine kinases, a subclass of kinases that is overexpressed in many cancers, which is implicated in phosphorylation cascades. Through molecular dynamics theyfound that emodin forms favorable interactions with chitosan and chitosan PEG (polyethylene glycol) copolymers, which could aid in loading drugs into nanoparticles (NPs) for targeted delivery to cancerous tissue. Both polymers demonstrated reasonable entrapment efficiencies, which encourages experimental exploration of emodin through targeted drug delivery vehicles and their anticancer activity.

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High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

Shern et al. | Jan 20, 2021

High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

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Locating sources of a high energy cosmic ray extensive air shower using HiSPARC data

Aziz et al. | Oct 24, 2023

Locating sources of a high energy cosmic ray extensive air shower using HiSPARC data

Using the data provided by the University of Twente High School Project on Astrophysics Research with Cosmics (HiSPARC), an analysis of locations for possible high-energy cosmic ray air showers was conducted. An example includes an analysis conducted of the high-energy rain shower recorded in January 2014 and the use of Stellarium™ to discern its location.

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An explainable model for content moderation

Cao et al. | Aug 16, 2023

An explainable model for content moderation

The authors looked at the ability of machine learning algorithms to interpret language given their increasing use in moderating content on social media. Using an explainable model they were able to achieve 81% accuracy in detecting fake vs. real news based on language of posts alone.

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Effects of various alkaline carbonic solutions on the growth of the freshwater algae Chlorophyceae

Jani et al. | Aug 11, 2023

Effects of various alkaline carbonic solutions on the growth of the freshwater algae Chlorophyceae
Image credit: Jordan Whitfield

Modern day fossil fuels are prone to polluting our environment, which can provide major habitat loss to many animals in our ecosystems. Algae-based biofuels have become an increasingly popular alternative to fossil fuels because of their sustainability, effectiveness, and environmentally-friendly nature. To encourage algae growth and solidify its role as an emerging biofuel, we tested basic (in terms of pH) solutions on pond water to determine which solution is most efficient in inducing the growth of algae.

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