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Examination of the underlying chemical physics of the Mpemba effect in water and other liquids

Khan et al. | Apr 20, 2023

Examination of the underlying chemical physics of the Mpemba effect in water and other liquids
Image credit: D koi

Counterintuitive in nature, the Mpemba effect asserts that hot liquid freezes faster than cold liquid. While noted throughout history by scientific minds like Aristotle, the phenomenon remains in contention with varying hypotheses for the effect proposed alongside the effect’s rise in popularity. Contributing to the research efforts surrounding the Mpemba effect, the authors in this article explore the effect in different liquids ranging in physical properties and intermolecular forces to determine potential parameters attributable to producing the Mpemba effect.

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High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

Shern et al. | Jan 20, 2021

High-throughput virtual screening of novel dihydropyrimidine monastrol analogs reveals robust structure-activity relationship to kinesin Eg5 binding thermodynamics

As cancer continues to take millions of lives worldwide, the need to create effective therapeutics for the disease persists. The kinesin Eg5 assembly motor protein is a promising target for cancer therapeutics as inhibition of this protein leads to cell cycle arrest. Monastrol, a small dihydropyrimidine-based molecule capable of inhibiting the kinesin Eg5 function, has attracted the attention of medicinal chemists with its potency, affinity, and specificity to the highly targeted loop5/α2/α3 allosteric binding pocket. In this work, we employed high-throughput virtual screening (HTVS) to identify potential small molecule Eg5 inhibitors from a designed set of novel dihydropyrimidine analogs structurally similar to monastrol.

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The sweetened actualities of neural membrane proteins: A computational structural analysis

Chauhan et al. | Nov 03, 2022

The sweetened actualities of neural membrane proteins: A computational structural analysis

Here, seeking to better understand the roles of glycans in the receptors of active sites of neuronal cells, the authors used molecular dynamics simulations to to uncover the dynamic nature of N-glycans on membrane proteins. The authors suggest the study of theinteractions of these membrane poreins could provide future potential therapeutic targets to treat mental diseases.

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Genetic underpinnings of the sex bias in autism spectrum disorder

Lee et al. | Mar 29, 2024

Genetic underpinnings of the sex bias in autism spectrum disorder
Image credit: Louis Reed

Here, seeking to identify a possible explanation for the more frequent diagnosis of autism spectrum disorder (ASD) in males than females, they sought to investigate a potential sex bias in the expression of ASD-associated genes. Based on their analysis, they identified 17 ASD-associated candidate genes that showed stronger collective sex-dependent expression.

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Deciphering correlation and causation in risk factors for heart disease with Mendelian randomization

Singh et al. | Feb 08, 2023

Deciphering correlation and causation in risk factors for heart disease with Mendelian randomization
Image credit: Robina Weermeijer

Here, seeking to identify the risk of coronary artery disease (CAD), a major cause of cardiovascular disease, the authors used Mendelian randomization. With this method they identified several traits such as blood pressure readings, LDL cholesterol and BMI as significant risk factors. While other traits were not found to be significant risk factors.

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