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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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Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Zhou et al. | Nov 17, 2022

Reactivity-informed design, synthesis, and Michael addition kinetics of C-ring andrographolide analogs

Here, based on the identification of androgapholide as a potential therapeutic treatment against cancer, Alzheimer's disease, diabetes, and multiple sclerosis, due to its ability to inhibit a signaling pathway in immune system function, the authors sought ways to optimize the natural product human systems by manipulating its chemical structure. Through the semisynthesis of a natural product along with computational studies, the authors developed an understanding of the kinetic mechanisms of andrographolide and semisynthetic analogs in the context of Michael additions.

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An efficient approach to automated geometry diagram parsing

Date et al. | Oct 02, 2022

An efficient approach to automated geometry diagram parsing

Here, beginning from an initial interest in the possibility to use a computer to automatically solve a geometry diagram parser, the authors developed their own Fast Geometry Diagram Parser (FastGDP) that uses clustering and corner information. They compared their own methods to a more widely available, method, GeoSolver, finding their own to be an order of magnitude faster in most cases that they considered.

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Repurposing citrus peel waste and its positive effects on our health and communities

Kim et al. | Feb 08, 2021

Repurposing citrus peel waste and its positive effects on our health and communities

Every year, more than 30% of food products go to waste. This is approximately 1.3 billion tons of food, which is equivalent to 1.3 trillion U.S. dollars. While conventional solid waste treatments and fertilization of food waste are common, citrus fruit peels require secondary applications and advanced disposal management due to their low pH values and high antimicrobial characteristics. Since citrus fruits are well-known sources of vitamin C and antioxidants, we hypothesized that their peels also contain high amounts of vitamin C and antioxidants. In our study, five common citrus peels including grapefruit, lemon, lime, orange, and tangerine, were used to determine the amounts of vitamin C and total soluble antioxidants.

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The Effect of the Human MeCP2 gene on Drosophila melanogaster behavior and p53 inhibition as a model for Rett Syndrome

Ganga et al. | Sep 07, 2020

The Effect of the Human <i>MeCP2</i> gene on <i>Drosophila melanogaster</i> behavior and p53 inhibition as a model for Rett Syndrome

In this study, the authors observe if the symptoms of Rett Syndrome, a neurodegenerative disease in humans, are reflected in Drosophila melanogaster. This was achieved by differentiating the behavior and physical aspects of wild-type flies from flies expressing the full-length MeCP2 gene and the mutated MeCP2 gene (R106W). After conducting these experiments, some of the Rett Syndrome symptoms were recapitulated in Drosophila, and a subset of those were partially ameliorated by the introduction of pifithrin-alpha.

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Assessing grass water use efficiency through smartphone imaging and ImageJ analysis

Shen et al. | Jul 27, 2022

Assessing grass water use efficiency through smartphone imaging and ImageJ analysis

Overwatering and underwatering grass are widespread issues with environmental and financial consequences. This study developed an accessible method to assess grass water use efficiency (WUE) combining smartphone imaging with open access color unmixing analysis. The method can be applied in automated irrigation systems or apps, providing grass WUE assessment for regular consumer use.

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A Taste of Sweetness in Bioplastics

Tsai et al. | Apr 05, 2019

A Taste of Sweetness in Bioplastics

Sweet potatoes are one of the most common starches in Taiwan, and sweet potato peels hold significant potential to make biodegradable plastics which can alleviate the environmental impact of conventional petroleum-based plastics. In this paper, Tsai et al created starch-based bioplastics derived from sweet potato peels and manipulated the amount of added glycerol to alter the plastic’s strength and flexibility properties. Their results indicated that higher concentrations of glycerol yield more malleable plastics, providing insights into how recycled agricultural waste material might be used to slow down the rate of pollution caused by widespread production of conventional plastics.

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Osmotic characteristics of water retention structures of Bursera microphylla in relation to soil salinity

Groom et al. | Jul 12, 2023

Osmotic characteristics of water retention structures of <i>Bursera microphylla</i> in relation to soil salinity
Image credit: Lisa Fotios

This study hypothesized that sodium chloride was taken up through plant root structures to facilitate water transportation, and that sodium chloride accumulation was directly proportional to the soil salinity. Results showed that most cells within the “bulb” structures were isotonic at a concentration approximately twice as high as that of root tissue and ambient soil salinity, therefore supporting the presented hypothesis.

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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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