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Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

Poosarla et al. | Oct 19, 2021

Strain-selective <i>in vitro</i> and <i>in silico</i> structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

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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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Ladder Fuel Treatments Effect Burn Area of Forest Fires in Semi-Arid High Elevation Climates

Schwartz et al. | Oct 05, 2020

Ladder Fuel Treatments Effect Burn Area of Forest Fires in Semi-Arid High Elevation Climates

In this study, the authors investigate a timely and important topic: forest fires. More specifically, they use a wildfire simulator to test how ladder fuels effect the burn area of a forest fire. Ladder fuels are fuels that cause a forest fire to rise up from the forest floor to the canopy, which may affect the overall spread. They simulated fire spread with different levels of ladder fuel treatment and found that the spread of a burn area would indeed decrease with increased ladder fuel treatment. These findings have important implications for forest and forest fire management.

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Simulations of Cheetah Roaming Demonstrate the Effect of Safety Corridors on Genetic Diversity and Human-Cheetah Conflict

Acton et al. | Apr 02, 2018

Simulations of Cheetah Roaming Demonstrate the Effect of Safety Corridors on Genetic Diversity and Human-Cheetah Conflict

Ecological corridors are geographic features designated to allow the movement of wildlife populations between habitats that have been fragmented by human landscapes. Corridors can be a pivotal aspect in wildlife conservation because they preserve a suitable habitat for isolated populations to live and intermingle. Here, two students simulate the effect of introducing a safety corridor for cheetahs, based on real tracking data on cheetahs in Namibia.

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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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Effects of Coolant Temperature on the Characteristics of Soil Cooling Curve

Wang et al. | Jan 16, 2020

Effects of Coolant Temperature on the Characteristics of Soil Cooling Curve

In this article, the authors investigate whether coolant temperature affects soil cooling curves of soil with otherwise identical properties. The coolant temperature is representative of environmental temperature, and the authors hypothesized that differences in this temperature would not affect the freezing temperature of soil. Their findings validated their hypothesis providing helpful information relevant to understanding how frost heaves happen and how to predict their occurrence more accurately.

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