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Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

Ashok et al. | Jun 24, 2022

Development of a novel machine learning platform to identify structural trends among NNRTI HIV-1 reverse transcriptase inhibitors

With advancements in machine learning a large data scale, high throughput virtual screening has become a more attractive method for screening drug candidates. This study compared the accuracy of molecular descriptors from two cheminformatics Mordred and PaDEL, software libraries, in characterizing the chemo-structural composition of 53 compounds from the non-nucleoside reverse transcriptase inhibitors (NNRTI) class. The classification model built with the filtered set of descriptors from Mordred was superior to the model using PaDEL descriptors. This approach can accelerate the identification of hit compounds and improve the efficiency of the drug discovery pipeline.

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Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Chen et al. | Dec 20, 2020

Spectroscopic Kinetic Monitoring and Molecular Dynamics Simulations of Biocatalytic Ester Hydrolysis in Non-Aqueous Solvent

Lipases are a common class of enzymes that catalyze the breakdown of lipids. Here the authors characterize the the activity of pancreatic lipase in different organic solvents using a choloremetric assay, as well as using molecular dynamic simulations. They report that the activity of pancreatic lipase in 5% methanol is more than 25% higher than in water, despite enzyme stability being comparable in both solvents. This suggests that, for industrial applications, using pancreatic lipase in 5% methanol solution might increase yield, compared to just water.

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Behavioral Longevity: The Impact of Smoking, Alcohol Consumption, and Obesity on Life Expectancy

Han et al. | Oct 03, 2019

Behavioral Longevity: The Impact of Smoking, Alcohol Consumption, and Obesity on Life Expectancy

In this article, the authors look into what is already known about the factor affecting longevity and determine the importance of behavioral factors including alcohol consumption, smoking, and obesity on longevity. The authors quantify data from over 150 countries and, interestingly, find that the impact each factor has on longevity is at least in part dependent on the country's economic development status. Overall, they conclude that an average person’s life expectancy can increase by more than 3 years if smoking and alcohol consumption is reduced by a half and weight is decreased by 10%.

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Comparing Consumer Personality and Brand Personality: Do Fashion Styles Speak of Who You Are?

Stevenson et al. | Oct 02, 2019

Comparing Consumer Personality and Brand Personality: Do Fashion Styles Speak of Who You Are?

This study investigated how fashion brand personalities are similar to people’s personalities and whether people may prefer a particular clothing brand based on their own personal traits. All together, Stevenson and Scott found that the Big Five Personality Factors are generally not related to participants’ preferred brand personalities. Generally, brands should consider different factors besides the Big Five Personality Factors for identifying potential customers.

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Correlates of Sugar Consumption Among High School Students and Faculty

McBurnett et al. | Mar 07, 2019

Correlates of Sugar Consumption Among High School Students and Faculty

The availability, portion sizes, and consumption of highly palatable food has been linked adverse health outcomes. McBurnett and O’Donnell sought to assess the relationship between reward-based eating drive, consumption, cravings, and knowledge of the effects of sugary foods. In this study population, reward-based eating drive was related to both consumption and cravings. Further, for females, the knowledge of sugar’s effects was significantly and inversely associated with its consumption.

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The Effect of Interactive Electronics Use on Psychological Well Being and Interpersonal Relationship Quality in Adults

Belkin et al. | Apr 19, 2018

The Effect of Interactive Electronics Use on Psychological Well Being and Interpersonal Relationship Quality in Adults

In recent years, usage of interactive electronic devices such as computers, smartphones, and tablets has increased dramatically. Many studies have examined the potential adverse effects of excessive usage of such devices on children and adolescents, but the effects on adults are not well understood. In this study, the authors examined the relationship between adult usage of interactive electronic devices and a variety of clinical measures of psychological well-being. They found that according to some metrics, higher usage of interactive electronic devices is associated with several adverse psychological outcomes, suggesting a need for more careful consideration of such usage patterns in clinical settings.

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Characterization and Phylogenetic Analysis of the Cytochrome B Gene (cytb) in Salvelinus fontinalis, Salmo trutta and Salvelinus fontinalis X Salmo trutta Within the Lake Champlain Basin

Palermo et al. | Jan 24, 2014

Characterization and Phylogenetic Analysis of the Cytochrome B Gene (<em>cytb</em>) in <em>Salvelinus fontinalis</em>,<em> Salmo trutta</em> and <em>Salvelinus fontinalis X Salmo trutta</em> Within the Lake Champlain Basin

Recent declines in the brook trout population of the Lake Champlain Basin have made the genetic screening of this and other trout species of utmost importance. In this study, the authors collected and analyzed 21 DNA samples from Lake Champlain Basin trout populations and performed a phylogenetic analysis on these samples using the cytochrome b gene. The findings presented in this study may influence future habitat decisions in this region.

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