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Quantitative definition of chemical synthetic pathway complexity of organic compounds

Baranwal et al. | Jun 19, 2023

Quantitative definition of chemical synthetic pathway complexity of organic compounds

Irrespective of the final application of a molecule, synthetic accessibility is the rate-determining step in discovering and developing novel entities. However, synthetic complexity is challenging to quantify as a single metric, since it is a composite of several measurable metrics, some of which include cost, safety, and availability. Moreover, defining a single synthetic accessibility metric for both natural products and non-natural products poses yet another challenge given the structural distinctions between these two classes of compounds. Here, we propose a model for synthetic accessibility of all chemical compounds, inspired by the Central Limit Theorem, and devise a novel synthetic accessibility metric assessing the overall feasibility of making chemical compounds that has been fitted to a Gaussian distribution.

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Impact of simple vs complex carbohydrates under time constraint before anaerobic and aerobic exercise

Cui et al. | Oct 13, 2022

Impact of simple vs complex carbohydrates under time constraint before anaerobic and aerobic exercise

The goal of this study was to determine the if carbohydrates or complex carbohydrates are better for athlete's performance in anaerobic and aerobic exercise. Ultimately, we found that, when one’s schedule only allows for 30 minutes to eat before a workout, the best pre-workout meal for optimal glycogen levels to prompt muscle hypertrophy, strength increases, and better endurance is one that is simple carbohydrate-heavy.

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Using the COmplex PAthway SImulator, Stage Analysis, and Chemical Kinetics to Develop a Novel Solution to Lower Tau Concentrations in Alzheimer’s Disease

Carroll et al. | Sep 28, 2020

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.

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The Cilium- and Centrosome-Associated Protein CCDC11 Is Required for Cytokinesis via Midbody Recruitment of the ESCRT- III Membrane Scission Complex Subunit CHMP2A

Ahmed et al. | Mar 14, 2018

The Cilium- and Centrosome-Associated Protein CCDC11 Is Required for Cytokinesis via Midbody Recruitment of the ESCRT- III Membrane Scission Complex Subunit CHMP2A

In order for cells to successfully multiply, a number of proteins are needed to correctly coordinate the replication and division process. In this study, students use fluorescence microscopy and molecular methods to study CCDC11, a protein critical in the formation of cilia. Interestingly, they uncover a new role for CCDC11, critical in the cell division across multiple human cell lines.

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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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The Effects of Altered Microbiome on Caenorhabditis elegans Egg Laying Behavior

Gohari et al. | Aug 12, 2019

The Effects of Altered Microbiome on <em>Caenorhabditis elegans</em> Egg Laying Behavior

Since the discovery that thousands of different bacteria colonize our gut, many of which are important for human wellbeing, understanding the significance of balancing the different species on the human body has been intensely researched. Untangling the complexity of the gut microbiome and establishing the effect of the various strains on human health is a challenge in many circumstances, and the need for simpler systems to improve our basic understanding of microbe-host interactions seems necessary. C. elegans are a well-established laboratory animal that feed on bacteria and can thus serve as a less complex system for studying microbe-host interactions. Here the authors investigate how the choice of bacterial diet affects worm fertility. The same approach could be applied to many different outcomes, and facilitate our understanding of how the microbes colonizing our guts affect various bodily functions.

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