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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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Survival of Escherichia coli K-12 in various types of drinking water

Hanna et al. | Sep 25, 2022

Survival of <i>Escherichia coli</i> K-12 in various types of drinking water

For public health, drinking water should be free of bacterial contamination. The objective of this research is to identify the fate of bacteria if drinking water becomes contaminated and inform consumers on which water type enables the least bacteria to survive. We hypothesized that bottled mineral water would provide the most sufficient conditions for E. coli to survive. We found that if water becomes contaminated, the conditions offered by the three water types at room temperature allow E. coli to survive up to three days. At 72 hours, the bottled spring water had the highest average colony forming units (CFUs), with tap and mineral water CFU values statistically lower than spring water but not significantly different from each other. The findings of this research highlight the need of implementing accessible quality drinking water for the underserved population and for the regulation of water sources.

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Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models

Lee et al. | Mar 30, 2022

Phospholipase A2 increases the sensitivity of doxorubicin induced cell death in 3D breast cancer cell models

Inefficient penetration of cancer drugs into the interior of the three-dimensional (3D) tumor tissue limits drugs' delivery. The authors hypothesized that the addition of phospholipase A2 (PLA2) would increase the permeability of the drug doxorubicin for efficient drug penetration. They found that 1 mM PLA2 had the highest permeability. Increased efficiency in drug delivery would allow lower concentrations of drugs to be used, minimizing damage to normal cells.

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Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation

Su et al. | May 14, 2021

Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation

Berberine, a natural product alkaloid, has been shown to exert biological activity via in situ production of singlet oxygen when photo irradiated. Berberine utilizes singlet oxygen in its putative mechanism of action, wherein it forms an activated complex with DNA and photosensitizes triplet oxygen to singlet oxygen to specifically oxidize guanine residues, thereby halting cell replication and leading to cell death. This has potential application in photodynamic therapy, alongside other such compounds which also act as photosensitizers and produce singlet oxygen in situ. The quantification of singlet oxygen in various photosensitizers, including berberine, is essential for determining their photosensitizer efficiencies. We postulated that the singlet oxygen produced by photoirradiation of berberine would be superior in terms of singlet oxygen production to the aforementioned photosensitizers when irradiated with UV light, but inferior under visible light conditions, due to its strong absorbance of UV wavelengths.

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COVID 19 and the perceived impacts on adolescents’ and young adults’ mental health: A quantitative survey

Kumar et al. | Jul 31, 2023

COVID 19 and the perceived impacts on adolescents’ and young adults’ mental health: A quantitative survey
Image credit: Nick Fewings

Here, recognizing the effects of the COVID-19 pandemic on young peoples' mental health and wellbeing the authors used an online survey which included the short General Health Questionnaire (GHQ-12) to probe 102 young adults. Overall they found that young adults perceived the pandemic to be detrimental to many areas of their wellbeing, with females and those aged 18-19 and 22-23 reporting to be the most significantly impacted.

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DyGS: A Dynamic Gene Searching Algorithm for Cancer Detection

Wang et al. | Jun 05, 2018

DyGS: A Dynamic Gene Searching Algorithm for Cancer Detection

Wang and Gong developed a novel dynamic gene-searching algorithm called Dynamic Gene Search (DyGS) to create a gene panel for each of the 12 cancers with the highest annual incidence and death rate. The 12 gene panels the DyGS algorithm selected used only 3.5% of the original gene mutation pool, while covering every patient sample. About 40% of each gene panel is druggable, which indicates that the DyGS-generated gene panels can be used for early cancer detection as well as therapeutic targets in treatment methods.

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A comparison of use of the mobile electronic health record by medical providers based on clinical setting

Stover et al. | Jul 12, 2023

A comparison of use of the mobile electronic health record by medical providers based on clinical setting
Image credit: Tima Miroshnichenko

The electronic health record (EHR), along with its mobile application, has demonstrated the ability to improve the efficiency and accuracy of health care delivery. This study included data from 874 health care providers over a 12-month period regarding their usage of mobile phone (EPIC® Haiku) and tablet (EPIC® Canto) mEHR. Ambulatory and inpatient care providers had the greatest usage levels over the 12-month period. Awareness of workflow allows for optimization of mEHR design and implementation, which should increase mEHR adoption and usage, leading to better health outcomes for patients.

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An Exploration of a Honey-Ginger Supplement as an Antimicrobial Agent

Phillips et al. | Jul 10, 2016

An Exploration of a Honey-Ginger Supplement as an Antimicrobial Agent

Due to the increase in antimicrobial resistance, alternative medicinal therapies are being explored. Studies have shown that honey and ginger alone have antimicrobial effects on the genera Staphylococcus and Escherichia, including S. epidermidis and E. coli. The authors of this study tested whether a honey-ginger supplement, Jengimiel™, could be used as an antimicrobial agent against S. epidermidis and E. coli K-12.

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