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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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A Quantitative Assessment of Time, Frequency, and Time-frequency Algorithms for Automated Seizure Detection and Monitoring

Vangal et al. | Sep 28, 2020

A Quantitative Assessment of Time, Frequency, and Time-frequency Algorithms for Automated Seizure Detection and Monitoring

Each year, over 100,000 patients die from Sudden Unexpected Death in Epilepsy (SUDEP). A reliable seizure warning system can help patients stay safe. This work presents a comprehensive, comparative analysis of three different signal processing algorithms for automated seizure/ictal detection. The experimental results show that the proposed methods can be effective for accurate automated seizure detection and monitoring in clinical care.

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A Quantitative Analysis of the Proliferation of Microplastics in Williamston’s Waterways

Schafer et al. | Feb 17, 2019

A Quantitative Analysis of the Proliferation of Microplastics in Williamston’s Waterways

Plastic debris can disrupt marine ecosystems, spread contaminants, and take years to naturally degrade. In this study, Wu et al aim to establish an understanding of the scope of Williamston, Michigan’s microplastics problem, as well as to attempt to find the source of these plastics. Initially, the authors hypothesize that the Williamston Wastewater Treatment Plant was the primary contributor to Williamston’s microplastics pollution. Although they find a general trend of increasing concentrations of microplastics from upstream to downstream, they do not pinpoint the source of Williamston’s microplastics pollution in the present research.

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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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Singlet oxygen production analysis of reduced berberine analogs via NMR spectroscopy

Su et al. | Feb 10, 2023

Singlet oxygen production analysis of reduced berberine analogs via NMR spectroscopy

Berberine is a natural product isoquinoline alkaloid derived from plants of the genus Berberis. When exposed to photoirradiation, it produces singlet oxygen through photosensitization of triplet oxygen. Through qNMR analysis of 1H NMR spectra gathered through kinetic experiments, we were able to track the generation of a product between singlet oxygen and alpha terpinene, allowing us to quantitatively measure the photosensitizing properties of our scaffolds.

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Assessing CDK5 as a Nanomotor for Chemotactic Drug Delivery

Jiang et al. | Sep 08, 2022

Assessing CDK5 as a Nanomotor for Chemotactic Drug Delivery

Enzyme chemotaxis is a thermodynamic phenomenon in which enzymes move along a substrate concentration gradient towards regions with higher substrate concentrations and can be used to steer nanovehicles towards targets along natural substrate concentrations. In patients with Alzheimer’s disease, a gradient of tau protein forms in the bloodstream. Tau protein is a substrate of the enzyme CDK5, which catalyzes the phosphorylation of tau protein and can travel using chemotaxis along tau protein gradients to increasing concentrations of tau and amyloid-beta proteins. The authors hypothesized that CDK5 would be able to overcome these barriers of Brownian motion and developed a quantitative model using Michaelis-Menten kinetics to define the necessary parameters to confirm and characterize CDK5’s chemotactic behavior to establish its utility in drug delivery and other applications.

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