Browse Articles

Thymoquinone is a compound of great therapeutic potential and scientific interest. However, its clinical administration and synthetic modifications are greatly limited by its instability in the presence of light. This study employed quantitative 1H nuclear magnetic resonance (NMR) spectroscopy to identify the effect of solvation on the degradation of thymoquinone under ultraviolet light (UV). It found that the rate of degradation is highly solvent dependent occurs maximally in chloroform.

In this study, the authors determined whether tautomerization dynamics in protic and aprotic solvents displayed differences in reaction rates and in the proportion of the keto and enol tautomers present.

Here, beginning from an initial interest in the possibility to use a computer to automatically solve a geometry diagram parser, the authors developed their own Fast Geometry Diagram Parser (FastGDP) that uses clustering and corner information. They compared their own methods to a more widely available, method, GeoSolver, finding their own to be an order of magnitude faster in most cases that they considered.

With low-temperature transportation being critical for the progress of research and medical services by preserving biological samples and vaccines, the optimization of cold storage materials is more critical now than ever. The exclusive use of dry ice has its limitations. Notably, it proves insufficient for cold storage during long-range transportation necessary for the delivery of specimens to rural areas. In this article, the authors have proposed a new means of cold storage through the combination of dry ice and ethanol. Upon thorough analysis, the authors have determined their new method as considerably better than the use of pure dry ice across many characteristics, including cold storage capacity, longevity of material, and financial and environmental feasibility.

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.

In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

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.

With the advance of technology, artificial intelligence (AI) is now applied widely in society. In the study of AI, machine learning (ML) is a subfield in which a machine learns to be better at performing certain tasks through experience. This work focuses on the convolutional neural network (CNN), a framework of ML, applied to an image classification task. Specifically, we analyzed the performance of the CNN as the type of neural activation function changes.

Recognizing the need for a method to filter microplastics from polluted water the authors sought to use nonpolar solvents, palm oil and palm kernel oil, to filter microplastics out of model seawater. By relying on the separation of polar and nonpolar solvents followed by freezing the nonpolar solvent, they reported that microplastics could be extracted with percentages ranging from 96.2% to 94.2%. They also provided an estimation to use this method as part of container ships to clean the Pacific Ocean of microplastics.