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The effects of early probiotic supplementation on the germination of Arabidopsis thaliana

Gambino et al. | Oct 25, 2020

The effects of early probiotic supplementation on the germination of <em>Arabidopsis thaliana</em>

The use of fertilizers is associated with an increase in soil degradation, which is predicted to lead to a decrease in crop production within the next decade. Thus, it is critical to find solutions to support crop production to sustain the robust global population. In this study, the authors investigate how probiotic bacteria, like Rhizobium leguminosarum, Bacillus subtilis and Pseudomonas fluorescens, can impact the growth of Arabidopsis thaliana when applied to the seeds.They hypothesized that solutions with multiple bacterial species compared to those with only a single bacterial species would promote seed germination more effectively.

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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 a novel CCR1 antagonist for treatment of glioblastoma

Jan et al. | May 05, 2021

Synthesis of a novel CCR1 antagonist for treatment of glioblastoma

Glioblastoma is a brain cancer caused by the presence of a fast-growing, malignant tumor in the brain. As of now, this cancer is universally lethal due to lack of efficacious treatment options. C-C chemokine receptor 1 (CCR1) is a G-protein coupled receptor that controls chemotaxis, the movement of cells in response to chemical stimuli. This research aims to synthesize potential CCR1 antagonists by coupling carboxylic acids with a triazole core. We synthesized these compounds using a simple carboxylic acid coupling and confirmed the identity of the final compounds using nuclear magnetic resonance (NMR) spectroscopy.

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Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

Gangal et al. | Oct 05, 2023

Modeling Hartree-Fock approximations of the Schrödinger Equation for multielectron atoms from Helium to Xenon using STO-nG basis sets

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.

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Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad-spectrum antibiotics

Sun et al. | May 10, 2021

Comparative screening of dose-dependent and strain-specific antimicrobial efficacy of berberine against a representative library of broad-spectrum antibiotics

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

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Peptidomimetics Targeting the Polo-box Domain of Polo-like Kinase 1

Jang et al. | Aug 19, 2016

Peptidomimetics Targeting the Polo-box Domain of Polo-like Kinase 1

Polo-like kinase 1 (Plk1) is a master regulator of mitosis, initiating key steps of cell cycle regulation, and its overexpression is associated with certain types of cancer. In this study, the authors carefully designed peptides that were able to bind to Plk1 at a location that is important for its proper localization and function. Future studies could further develop these peptides to selectively target Plk1 in cancer cells and induce mitotic arrest.

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