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.
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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...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...Evaluating the feasibility of SMILES-based autoencoders for drug discovery
The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.
Read More...Effect of Fertilizer on Water Quality of Creeks over Time
Fertilizers are commonly used to improve agricultural yield. Unfortunately, chemical fertilizers can seep into drinking water, potentially harming humans and other forms of life. Here, the authors investigate the effect of fertilizer on the water quality of Saratoga Creek over time. They find that fertilizers can alter the acidity of the creek's water, which can be harmful to aquatic species, as well as increase the levels of nitrates temporarily.
Read More...Optical anisotropy of crystallized vanillin thin film: the science behind the art
Microscopic beauty is hiding in common kitchen ingredients - even vanillin flavoring can be turned into mesmerizing artwork by crystallizing the vanillin and examining it under a polarizing microscope. Wang and Pang explore this hidden beauty by determining the optimal conditions to grow crystalline vanillin films and by creating computer simulations of chemical interactions between vanillin molecules.
Read More...Automated classification of nebulae using deep learning & machine learning for enhanced discovery
There are believed to be ~20,000 nebulae in the Milky Way Galaxy. However, humans have only cataloged ~1,800 of them even though we have gathered 1.3 million nebula images. Classification of nebulae is important as it helps scientists understand the chemical composition of a nebula which in turn helps them understand the material of the original star. Our research on nebulae classification aims to make the process of classifying new nebulae faster and more accurate using a hybrid of deep learning and machine learning techniques.
Read More...Impact of aluminum surface area on the rate of reaction with aqueous copper (II) chloride solutions
In this article the authors looked at how temperature was impacted when alumnium was added in various forms to aqueous copper(II) solutions. Their study investigates the impact of surface area on chemical reactions.
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...Spectrophotometric comparison of 4-Nitrophenyl carbonates & carbamates as base-labile protecting groups
In organic synthesis, protecting groups are derivatives of reactive functionalities that play a key role in ensuring chemoselectivity of chemical transformations. To protect alcohols and amines, acid-labile tert-butyloxycarbonyl protecting groups are often employed but are avoided when the substrate is acid-sensitive. Thus, orthogonal base-labile protecting groups have been in demand to enable selective deprotection and to preserve the reactivity of acid-sensitive substrates. To meet this demand, we present 4-nitrophenyl carbonates and carbamates as orthogonal base-labile protecting group strategies.
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