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In many areas of the world’s oceans, diatoms such as Thalassiosira pseudonana are limited in growth by the availability of iron (Fe), which is an essential nutrient for diatoms. The authors of this study examined if Fe-limitation makes a significant difference in the proteins expressed within the chloroplast, the power source for diatoms, utilizing a new plastid isolation technique specific to diatoms and completing 14 mass spectrometry experiments.

As the world moves towards more eco-friendly methods for chemical synthesis, there's a strong interest in employing enzymes in chemical synthetic processes. Here, the authors explore how the activity of enzymes such as trypsin, lipase and nattokinase is affected by the electronic effects of the substrate they are acting on.

Lipases are a common class of enzymes that catalyze the breakdown of lipids. Here the authors characterize the the activity of pancreatic lipase in different organic solvents using a choloremetric assay, as well as using molecular dynamic simulations. They report that the activity of pancreatic lipase in 5% methanol is more than 25% higher than in water, despite enzyme stability being comparable in both solvents. This suggests that, for industrial applications, using pancreatic lipase in 5% methanol solution might increase yield, compared to just water.

Polo-like kinase 1 (Plk1) is a master regulator of mitosis, initiating key steps of cell cycle regulation, and its overexpression is associated with certain types of cancer. In this study, the authors carefully designed peptides that were able to bind to Plk1 at a location that is important for its proper localization and function. Future studies could further develop these peptides to selectively target Plk1 in cancer cells and induce mitotic arrest.

Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.

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.

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.

Here the authors used a free radical assay to characterize the antioxidant capacity of three types of coffee beans. They fond that Robusta coffee presented greater inhibition percentages than other species in their free radical assay, indicating higher antioxidant capacity.

Semiconductors are the center of the fourth industrial revolution as they are key components for all electronics. Exposed wafers made of silicon (Si), which can easily oxidize, convert to silicon dioxide (SiO₂). The surface of SiO₂ wafers consists of many Si-OH bonds, allowing them to easily bond with water, resulting in a “wet” or hydrophilic condition. We sought to determine a way to modify the surface of SiO₂ wafers to become hydrophobic to ensure safe wet cleaning.

Here, seeking to better understand the effects of gadolinium-based contrast agents, dyes typically used for MRI scans, the authors evaluated the activity of catalase found in beef liver both with and without gadodiamide when exposed to hydrogen peroxide. They found that gadioamide did not significantly inhibit catalase's activity, attributing this lack of effects to the chelating agent found in gadodiamide.