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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.

The authors develop a method for detecting fake AI-generated images from real images.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

Omega-3 fatty acid derived lipid mediators have been implicated in resolving inflammation, and wound healing. Authors measured the impact of supplementation with lipid mediator Resolvin D1 and its precursor 17-HDHA on planaria regeneration. Planaria not only synthesize RvD1 from 17-DHA, but both RvD1 and 17-DHA enhanced regeneration.

Here the authors used a free radical assay to characterize the antioxidant capacity of three types of coffee beans. They fond that Robusta coffee presented greater inhibition percentages than other species in their free radical assay, indicating higher antioxidant capacity.

Cholesterol is a major component of neuronal cell membrane and myelin sheath. In this study, the authors either transfected Neuro 2A cells with CYP46A1 cDNA or treated the cells with 24SHC. Cells expressing CYP46A1 had significantly less viability compared to the negative control. Up to 55% reduction in cell viability was also observed in 24S-HC-treated cells. This work supports that CYP46A1 and 24S-HC could directly trigger cell death. The direct involvement of 24S-HC in cell death provides further evidence that 24S-HC can be a promising biomarker for diagnosing brain damage severity.

Saccharomyces cerevisiae yeast is used to produce bioethanol, an alternative to fossil fuels. In this study, authors take advantage of this well studied yeast by genetically engineering them to increase fatty acid biosynthesis and culturing in a cost-effective wastewater based medium; potentially providing a sustainable alternative to petrochemicals.

We hypothesize that berberine has broad-spectrum antibacterial properties, along with potency that is comparable to current broad-spectrum antibiotics that are commercially available. Here, we screened berberine against four strains of bacteria and evaluated its antimicrobial activity against five broad-spectrum antibiotics from different classes to better quantify berberine’s antibacterial activity and compare its efficacy as an antibacterial agent to the broad-spectrum antibiotics. Our results indicated that berberine had strain-selective cytotoxic effects and was significantly less potent than most of the broad-spectrum antibiotics

In this study, the authors utilize an infrared camera to visualize and investigate the exothermic reaction of polyurethane foam, which has many everyday uses including automotive seats, bedding, and insulation.

Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.