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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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A Quantitative Analysis of the Proliferation of Microplastics in Williamston’s Waterways

Schafer et al. | Feb 17, 2019

A Quantitative Analysis of the Proliferation of Microplastics in Williamston’s Waterways

Plastic debris can disrupt marine ecosystems, spread contaminants, and take years to naturally degrade. In this study, Wu et al aim to establish an understanding of the scope of Williamston, Michigan’s microplastics problem, as well as to attempt to find the source of these plastics. Initially, the authors hypothesize that the Williamston Wastewater Treatment Plant was the primary contributor to Williamston’s microplastics pollution. Although they find a general trend of increasing concentrations of microplastics from upstream to downstream, they do not pinpoint the source of Williamston’s microplastics pollution in the present research.

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Towards an Integrated Solution for Renewable Water and Energy

Chen et al. | Jan 09, 2015

Towards an Integrated Solution for Renewable Water and Energy

An integrated plant that would generate energy from solar power and provide clean water would help solve multiple sustainability issues. The feasibility of such a plant was investigated by looking at the efficacy of several different modules of such a plant on a small scale.

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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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Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation

Su et al. | May 14, 2021

Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation

Berberine, a natural product alkaloid, has been shown to exert biological activity via in situ production of singlet oxygen when photo irradiated. Berberine utilizes singlet oxygen in its putative mechanism of action, wherein it forms an activated complex with DNA and photosensitizes triplet oxygen to singlet oxygen to specifically oxidize guanine residues, thereby halting cell replication and leading to cell death. This has potential application in photodynamic therapy, alongside other such compounds which also act as photosensitizers and produce singlet oxygen in situ. The quantification of singlet oxygen in various photosensitizers, including berberine, is essential for determining their photosensitizer efficiencies. We postulated that the singlet oxygen produced by photoirradiation of berberine would be superior in terms of singlet oxygen production to the aforementioned photosensitizers when irradiated with UV light, but inferior under visible light conditions, due to its strong absorbance of UV wavelengths.

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Correlates of Sugar Consumption Among High School Students and Faculty

McBurnett et al. | Mar 07, 2019

Correlates of Sugar Consumption Among High School Students and Faculty

The availability, portion sizes, and consumption of highly palatable food has been linked adverse health outcomes. McBurnett and O’Donnell sought to assess the relationship between reward-based eating drive, consumption, cravings, and knowledge of the effects of sugary foods. In this study population, reward-based eating drive was related to both consumption and cravings. Further, for females, the knowledge of sugar’s effects was significantly and inversely associated with its consumption.

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The Parent-Child Relationship During the College Planning Process

Vanden et al. | Sep 19, 2019

The Parent-Child Relationship During the College Planning Process

To explore the parent-child relationship during college planning, authors surveyed high school juniors from two private schools (boarding school vs. non-boarding parochial school). After coding, survey answers indicate students at boarding schools were found to have greater fear of parental control and disappointment, while students at non-boarding parochial schoolexpressed a greater need for parental assistance.

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Computational Structure-Activity Relationship (SAR) of Berberine Analogs in Double-Stranded and G-Quadruplex DNA Binding Reveals Both Position and Target Dependence

Sun et al. | Dec 18, 2020

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.

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