
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...A computational quantum chemical study of fluorinated Allopurinol
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules
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.
Read More...Evaluation of Microplastics in Japanese Fish Using Visual and Chemical Dissections
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.
Read More...Determining the Effect of Chemical and Physical Pretreatments on the Yield and Energy Output of Cellulosic Ethanol from Panicum Virgatum
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.
Read More...Using the COmplex PAthway SImulator, Stage Analysis, and Chemical Kinetics to Develop a Novel Solution to Lower Tau Concentrations in Alzheimer’s Disease
In this study, the authors ask whether a Tau immunotherapy treatment, Hsp70 protein treatment, or dual treatment approach of both the Tau imunotherapy treatment and Hsp70 protein treatment leads to a greater reduction in Tau protein concentration in Alzheimer's disease. Overall, they conclude that the effectiveness of the treatment ultimately relies on the stage of Alzheimer’s.
Read More...Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone
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.
Read More...Combined Progestin-Estrogenic Contraceptive Pills May Promote Growth in Crop-Plants
Ethinyl estradiol and progestin norgestrel are commonly present in contraceptive tablets and it is unknown how they affect the environment. In this study, the authors investigate the role that ethinyl estradiol and progestin norgestrel have on the growth of flowering plants. The percentage germination, embryonic and adventitious tissue proliferation, root length, and shoot length were measured in V. radiata and T. aestivum treated with each compound and results demonstrate that ethinyl estradiol and progestin norgestrel can induce growth in both plants at certain concentrations. These findings have important implications as societal use of chemicals increases and more make their way into the environment.
Read More...The Cohesiveness of the Oscillating Belousov-Zhabotinsky Reaction
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.
Read More...Hammett linear free-energy relationships in the biocatalytic hydrolysis of para-substituted nitrophenyl benzoate esters
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.
Read More...Differences in the effect of copper sulfate on the mortality rate of Ostracod and Daphnia
Chemical pollution can have significant effects on freshwater organisms. In this study, the effect of copper sulfate on the survival of Daphnia pulex and Ostracoda was investigated.
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