![A computational quantum chemical study of fluorinated Allopurinol](/rails/active_storage/representations/proxy/eyJfcmFpbHMiOnsibWVzc2FnZSI6IkJBaHBBcTRMIiwiZXhwIjpudWxsLCJwdXIiOiJibG9iX2lkIn19--bc0a154b89e55ac3ac03f45a6a3fa81663d65c1c/eyJfcmFpbHMiOnsibWVzc2FnZSI6IkJBaDdCem9MWm05eWJXRjBTU0lJYW5CbkJqb0dSVlE2QzNKbGMybDZaVWtpRFRZd01IZzJNREErQmpzR1ZBPT0iLCJleHAiOm51bGwsInB1ciI6InZhcmlhdGlvbiJ9fQ==--a3b53ba1a0f83efef18f6e75a8d4ce784384bee2/JEI-21-235-Fig-1.jpg)
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...A computational quantum chemical study of fluorinated Allopurinol
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...Evaluating the predicted eruption times of geysers in Yellowstone National Park
The authors compare the predicted versus actual geyser eruption times for the Old Faithful and Beehive Geysers at Yellowstone National Park.
Read More...Understanding investors behaviors during the COVID-19 outbreak using Twitter sentiment analysis
The authors examine a relationship between tweet sentiment and stock market behavior during the early weeks of the COVID-19 pandemic.
Read More...Solving a new NP-Complete problem that resembles image pattern recognition using deep learning
In this study, the authors tested the ability and accuracy of a neural net to identify patterns in complex number matrices.
Read More...Reimagize – a digital card-based roleplaying game to improve adolescent girls’ body image
Reimagize, a role-playing with decision-making, was conjured, implementing social psychological concepts like counter-stereotyping and perspective-taking. As the game works implicitly to influence body image, it even counters image issues beyond personal body dissatisfaction. This study explored whether a digital role-playing card game, incorporating some of the most common prejudices of body image (like size prejudice, prejudices from the media, etc.) as identified by a digital survey/questionnaire completed by Indian girls aged 11-21, could counter these issues and reduce personal body dissatisfaction.
Read More...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.
Read More...A Study on the Coagulating Properties of the M. oleifera Seed
In this study, the authors investigate whether Moringa Oleifera seeds can serve as material to aid in purifying water. M. oleifera seeds have coagulating properties and the authors hypothesized that including it in a water filtration system would reduce particles, specifically bacteria, in water. Their results show that this system removed the largest percent of bacteria. When used in combination with cilantro, it was actually more efficient than the other techniques! These findings have important implications for creating better and more economical water purification systems.
Read More...Blue light blocking glasses: do they do what they promise?
With increased screen time and exposure to blue light, an increasing number of people have sleep deprivation. Blue light suppresses the release of melatonin and hinders sleep at night. We hypothesized that people could get a greater amount of sleep by controlling the blue light exposure from screen time before bedtime. BBG’s effect on reducing time to fall asleep was significant within the teenage group, but not significant in the adult group. This indicated that BBG could improve the time taken to sleep for young teenagers post screen time in the evening.
Read More...A Novel Method for Auto-Suturing in Laparoscopic Robotic-Assisted Coronary Artery Bypass Graft (CABG) Anastomosis
Levy & Levy tackle the optimization of the coronary artery bypass graft, a life-saving surgical technique that treats artery blockage due to coronary heart disease. The authors develop a novel auto-suturing method that saves time, allows for an increased number of sutures, and improves graft quality over hand suturing. The authors also show that increasing the number of sutures from four to five with their new method significantly improves graft quality. These promising findings may help improve outcomes for patients undergoing surgery to treat coronary heart disease.
Read More...Battling cultural bias within hate speech detection: An experimental correlation analysis
The authors develop a new method for training machine learning algorithms to differentiate between hate speech and cultural speech in online platforms.
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