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Prediction of molecular energy using Coulomb matrix and Graph Neural Network

Hazra et al. | Feb 01, 2022

Prediction of molecular energy using Coulomb matrix and Graph Neural Network

With molecular energy being an integral element to the study of molecules and molecular interactions, computational methods to determine molecular energy are used for the preservation of time and resources. However, these computational methods have high demand for computer resources, limiting their widespread feasibility. The authors of this study employed machine learning to address this disadvantage, utilizing neural networks trained on different representations of molecules to predict molecular properties without the requirement of computationally-intensive processing. In their findings, the authors determined the Feedforward Neural Network, trained by two separate models, as capable of predicting molecular energy with limited prediction error.

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More efficient sources of water distribution for agricultural and general usage

Jung et al. | Nov 11, 2022

More efficient sources of water distribution for agricultural and general usage

Here, the authors investigated alternative methods to irrigate plants based on the their identification that current irrigation systems waste a large amount of fresh water. They compared three different delivery methods for water: conventional sprinkler, underground cloth, and a perforated pipe embedded in the soil. They found the cloth method to save the most water, although plant growth was slightly less in comparison to plants watered with the sprinkler method or pipe method.

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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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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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A Scientific Investigation of Alternative Growing Methods to Cultivate Lactuca sativa

Fishback et al. | Apr 23, 2020

A Scientific Investigation of Alternative Growing Methods to Cultivate Lactuca sativa

In this article, the authors compare different resource-efficient farming methods for the vegetable Lactuca sativa. They compared hydroponics (solid growth medium with added nutrients) to aquaponics (water with fish waste to provide nutrients) and determined efficacy by measuring plant height over time. While both systems supported plant growth, the authors concluded that aquaponics was the superior method for supporting Lactuca sativa growth. These findings are of great relevance as we continue to find the most sustainable and efficient means for farming.

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Optimizing Interplanetary Travel Using a Genetic Algorithm

Murali et al. | Oct 28, 2018

Optimizing Interplanetary Travel Using a Genetic Algorithm

In this work, the authors develop an algorithm that solves the problem of efficient space travel between planets. This is a problem that could soon be of relevance as mankind continues to expand its exploration of outer space, and potentially attempt to inhabit it.

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Predicting the factors involved in orthopedic patient hospital stay

D’Souza et al. | Dec 13, 2023

Predicting the factors involved in orthopedic patient hospital stay
Image credit: Pixabay

Long hospital stays can be stressful for the patient for many reasons. We hypothesized that age would be the greatest predictor of hospital stay among patients who underwent orthopedic surgery. Through our models, we found that severity of illness was indeed the highest factor that contributed to determining patient length of stay. The other two factors that followed were the facility that the patient was staying in and the type of procedure that they underwent.

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Pichia kudriavzevii Yeast Exposure Increases the Asthmatic Behavior of Alveolar Epithelial Cells In Vitro

Ortega et al. | Jun 07, 2019

<em>Pichia kudriavzevii</em> Yeast Exposure Increases the Asthmatic Behavior of Alveolar Epithelial Cells <em>In Vitro</em>

Asthma affects over 334 million people worldwide and is triggered by inhalation of environmental stimuli. The authors of this study characterized the effect of exposure to common spoilage yeast, Pichia kidriavzevii on alveolar epithelial cells. A direct correlation between infection duration and asthmatic status of these cells was found, indicating the potential for this yeast to be an environmental stimulus of asthma and warranting further study.

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LawCrypt: Secret Sharing for Attorney-Client Data in a Multi-Provider Cloud Architecture

Zhang et al. | Jul 19, 2020

LawCrypt: Secret Sharing for Attorney-Client Data in a Multi-Provider Cloud Architecture

In this study, the authors develop an architecture to implement in a cloud-based database used by law firms to ensure confidentiality, availability, and integrity of attorney documents while maintaining greater efficiency than traditional encryption algorithms. They assessed whether the architecture satisfies necessary criteria and tested the overall file sizes the architecture could process. The authors found that their system was able to handle larger file sizes and fit engineering criteria. This study presents a valuable new tool that can be used to ensure law firms have adequate security as they shift to using cloud-based storage systems for their files.

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