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.

Saccharomyces cerevisiae yeast is used to produce bioethanol, an alternative to fossil fuels. In this study, authors take advantage of this well studied yeast by genetically engineering them to increase fatty acid biosynthesis and culturing in a cost-effective wastewater based medium; potentially providing a sustainable alternative to petrochemicals.

In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.

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.

Does the overuse of plastic in Japan poses an ecological risk to marine species and their consumers? Using visual and chemical dissection, all fish in this study were found to have microplastics present in their gastrointestinal tract, including two species that are typically eaten whole in Japan. Overall, these results are concerning as previous studies have found that microplastics can carry persistent organic pollutants. It is presumed that the increasing consumption of microplastics will have negative implications on organ systems such as the liver, gut, and hormones.

Counterintuitive in nature, the Mpemba effect asserts that hot liquid freezes faster than cold liquid. While noted throughout history by scientific minds like Aristotle, the phenomenon remains in contention with varying hypotheses for the effect proposed alongside the effect’s rise in popularity. Contributing to the research efforts surrounding the Mpemba effect, the authors in this article explore the effect in different liquids ranging in physical properties and intermolecular forces to determine potential parameters attributable to producing the Mpemba effect.

Here, recognizing the recognizing the growing threat of non-biodegradable plastic waste, the authors investigated the ability to use a modified enzyme identified in bacteria to decompose polyethylene terephthalate (PET). They used simulations to screen and identify an optimized enzyme based on machine learning models. Ultimately, they identified a potential mutant PETases capable of decomposing PET with improved thermal stability.

Fossil fuels are a limited resource; thus, it is important to explore new sources of energy. The authors examine the ability of switchgrass to produce ethanol and test the effects of pretreatment and grinding on ethanol yield.

In this study, the authors test the longevity of a anti-mite compound, amitraz, in commercially-sold strips and the age-dependent efficacy of these strips in preventing honey bee colony collapse by ectoparasitic mite Varroa destructor.

In this study the author undertakes a careful characterization of a special type of chemical reaction, called an oscillating Belousov-Zhabotinsky (or B-Z) reaction, which has a number of existing applications in biomedical engineering as well as the potential to be useful in future developments in other fields of science and engineering. Specifically, she uses experimental measurements in combination with computational analysis to investigate whether the reaction is cohesive – that is, whether the oscillations between chemical states will remain consistent or change over time as the reaction progresses. Her results indicate that the reaction is not cohesive, providing an important foundation for the development of future technologies using B-Z reactions.