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Naturally occurring neuroactive alkaloids are often studied for their potential to treat Neurological diseases. This team of students study Rivastigmine, a potent cholinesterase inhibitor that is a synthetic analog of physostigmine, which comes from the Calabar bean plant Physostigma venenosum. By comparing the effects of optimized synthetic analogs to the naturally occurring alkaloid, they determine the most favorable analog for inhibition of acetylcholinesterase (AChE), the enzyme that breaks down the neurotransmitter acetylcholine (ACh) to terminate neuronal transmission and signaling between synapses.

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

Human immunodeficiency virus (HIV), which affects tens of millions of individuals worldwide, can lead to acquired immunodeficiency syndrome (AIDS). While there is currently no cure for HIV, the development of small molecule antiretroviral agents has greatly improved the prognosis of infected individuals, especially in developed countries. Here, the authors employ homology modeling and molecular docking towards the identification of novel rilpivirine analogs that retain high binding affinity to clinically relevant rilpivirine-resistant mutations of the HIV reverse transcriptase enzyme.

In this article, the authors propose an effective, environmentally-friendly method of producing conductive ink using expired waste oil, polystyrene, and graphene.

Seeking to develop a better understanding of the chemical and physical properties of amino acids that compose proteins, here the authors investigated the unusual relative insolubility of racemic mixtures of D- and L-serine compared to the solubility of pure D- or L-serine. The authors used a combination of microscopy and temperature measurements alongside previous X-ray diffraction studies to conclude that racemic DL-serine crystals consist of comparatively stronger hydrogen bond interactions compared to crystals of pure enantiomers. These stronger interactions were found to result in the unique release of heat during the crystallization of racemic mixtures.

In this study, the authors determine optimal pH levels for maximizing isopropanol degradation in water. This has important applications for cleaning up polluted wastewater in the environment.

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.

The sugar-rich modern diet underlies a suite of metabolic disorders, most common of which is diabetes. Accurately reporting the sugar content of pre-packaged food and drink items can help consumers track their sugar intake better, facilitating more cognisant and, eventually, moderate consumption of high-sugar items. In this article, the authors examine the effect of several variables on the accuracy of Fehling's reaction, a colorimetric reaction used to estimate sugar content.

In this study, the authors investigate what metals make the most efficient electrochemical cells, which are batteries that use the difference in electrical potential to generate electricity. Calculations predicted that a cell made of iron and magnesium would have the highest efficiency. Construction of an electrochemical cell of iron and magnesium produced voltages close to the theoretical voltage predicted. These findings are important as work continues towards making batteries with the highest storage efficiency possible.

Zeolithic imidazolate framework-8 (ZIF-8) is a specific metal-organic framework that has favorable qualities for use in an air filter and is known to be capable of adsorbing particulate matter. Therefore, the objective of this experiment was to determine the effectiveness of ZIF-8 in adsorbing polar, gaseous air pollutants, specifically nitrogen dioxide and hydrogen sulfide. In order to determine effectiveness, the percent change in concentration for various gases after the application of ZIF-8 crystals was measured via Fourier-transform infrared spectroscopy (FTIR). The work highlights crystals as a potentially promising alternative or addition to current filter materials to reduce atmospheric pollution.