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In an effort to reduce the production of hazardous substances, green chemistry aims to make chemical processes more sustainable. One way to do so is changing solvents in chemical reactions. Here, authors assessed different “green” solvents on the oxidation of (-)-menthol to (-)-menthone using Fourier-transform infrared (FTIR) spectroscopy, optimizing the solvent system for this reaction.

Here the authors investigated the role of agricultural fertilizers as potential contributors to greenhouse gas emissions. In contrast to the typical investigations that consider microbiological processes, the authors considered purely chemical processes. Based on their results they found that as much as 20.41% of all CO₂ emission from land-based activities could be a result of mineral nitrogen fertilizers.

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.

Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.

The authors looked at the ability of Shewanella oneidensis to generate energy in a microbial fuel cell under varying conditions. They found that the S. Onedensis biofilm was able to produce energy in microgravity and that one of the biggest factors that limited energy production was a decrease in growth medium present.

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.

Cannabidiol (CBD) is a chemical extracted from cannabis and shown by some studies to alleviate the symptoms of many mental disorders, especially major depressive disorder. The authors hypothesized that chronic treatments with purified CBD through oral administration would relieve depression-associated behaviors in normal healthy rats under adverse conditions. A statistical analysis of the experimental data suggested that long-term consumption of CBD could elicit depression associated symptoms in normal rats without depression. The results imply that people should consume CBD-containing products with extreme caution and highlight the need to carefully monitor the use of CBD in health care products.

Understanding how bacteria respond to other bacteria could facilitate their ability to initiate and maintain their infectiousness. The phenomenon by which bacteria signal to each other via chemical signals is called quorum sensing, which could be targeted to deter bacterial infection in some cases if better understood. In this article, the authors study how a bacterium called V. fischeri uses quorum sensing to change bioluminescence, an easy readout that facilitates studying quorum sensing in this strain.

Coral bleaching is a fatal process that reduces coral diversity, leads to habitat loss for marine organisms, and is a symptom of climate change. This process occurs when corals expel their symbiotic dinoflagellates, algae that photosynthesize within coral tissue providing corals with glucose. Restoration efforts have attempted to repair damaged reefs; however, there are over 360,000 square miles of coral reefs worldwide, making it challenging to target conservation efforts. Thus, predicting the likelihood of bleaching in a certain region would make it easier to allocate resources for conservation efforts. We developed a machine learning model to predict global locations at risk for coral bleaching. Data obtained from the Biological and Chemical Oceanography Data Management Office consisted of various coral bleaching events and the parameters under which the bleaching occurred. Sea surface temperature, sea surface temperature anomalies, longitude, latitude, and coral depth below the surface were the features found to be most correlated to coral bleaching. Thirty-nine machine learning models were tested to determine which one most accurately used the parameters of interest to predict the percentage of corals that would be bleached. A random forest regressor model with an R-squared value of 0.25 and a root mean squared error value of 7.91 was determined to be the best model for predicting coral bleaching. In the end, the random model had a 96% accuracy in predicting the percentage of corals that would be bleached. This prediction system can make it easier for researchers and conservationists to identify coral bleaching hotspots and properly allocate resources to prevent or mitigate bleaching events.

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.