In this study, the authors use high-throughput virtual screening to design and evaluate a set of non-nucleoside reverse transcriptase inhibitors for binding affinity to the protein reverse transcriptase. These studies have important applications toward HIV therapies.
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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
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.
Read More...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.
Read More...Artificial Intelligence Networks Towards Learning Without Forgetting
In their paper, Kreiman et al. examined what it takes for an artificial neural network to be able to perform well on a new task without forgetting its previous knowledge. By comparing methods that stop task forgetting, they found that longer training times and maintenance of the most important connections in a particular task while training on a new one helped the neural network maintain its performance on both tasks. The authors hope that this proof-of-principle research will someday contribute to artificial intelligence that better mimics natural human intelligence.
Read More...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.
Read More...Investigation of Bunsen-type Premixed Flame Response to Acoustic Excitation: Temperature and Flame Profile
Here, authors characterize how different acoustics affect the properties of a Bunsen-type flame.
Read More...Investigating Lymphocytic Involvement in Minimal Change Nephrotic Syndrome
Minimal Change Disease (MCD) is a degenerative kidney disease. Researchers know very little about the cause of this disorder, however some research has suggested that T lymphocytes may be involved. In this study, the authors measure CD4 and CD8 T cell subpopulations in patients with MCD to investigate whether irregular T lymphocyte populations may be involved in MCD pathogenesis.
Read More...Paralyzing effects of CO2 and hypothermia on Madagascar hissing and dubia cockroaches
Here the authors sought to find a more ethical and efficient way to temporary paralyze a cockroach by comparing the results of two methods. By comparing immobilization through immersion in cold water and exposure to a 100 % CO2 environment, they found that cockroaches could be immobilized and recovered significantly faster when exposed to CO2.
Read More...Solving the Schrödinger equation computationally using the Lanczos algorithm
The authors use the Lanczos algorithm to computationally solve the Schrodinger equation for 2D potentials with a Python program
Read More...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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