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Kinetic Monitoring and Fourier-Transform Infrared (FTIR) Spectroscopy of the Green Oxidation of (-)-Menthol to (-)-Menthone

Surapaneni et al. | Aug 06, 2020

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.

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Development of selective RAC1/KLRN inhibitors

Kubrat Neczaj-Hruzewicz et al. | Nov 04, 2024

Development of selective RAC1/KLRN inhibitors

Kalirin is a guanine nucleotide exchange factor (GEF) for the GTPase RAC1, linked to schizophrenia and Alzheimer’s Disease. It plays a crucial role in synaptic plasticity by regulating dendritic spine formation and actin cytoskeleton remodeling, which are essential for creating new synapses. Authors developed two novel compounds targeting kalirin, confirming that predictive modeling can indicate biological activity.

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Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules

Sikdar et al. | Jan 10, 2023

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.

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Synthesis of sodium alginate composite bioplastic films

Kim et al. | Sep 17, 2024

Synthesis of sodium alginate composite bioplastic films

The authors looked at the development of biodegradable bioplastic and its features compared to PET packaging films. They were able to develop a biodegradable plastic with sodium alginate that dissolved in water and degrade in microbial conditions while also being transparent and flexible similar to current plastic films.

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Androgen Diffusion Patterns in Soil: Potential Watershed Impacts

Corson et al. | Jan 24, 2019

Androgen Diffusion Patterns in Soil: Potential Watershed Impacts

Androgens are natural or synthetic steroid hormones that control secondary male sex characteristics. Androgens are excreted in cattle urine and feces, and can run off or seep into nearby waters, negatively impacting aquatic life and potentially polluting human water sources. Here, the authors investigated the effectiveness of soil as a natural barrier against androgen flow into vulnerable waterways. Their results, obtained by testing diffusion patterns of luminol, an androgen chemical analog, indicated that soil is a poor barrier to androgen diffusion.

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