Here, through protein-ligand docking, the authors investigated the effect of the interaction of emodin with serine/threonine kinases, a subclass of kinases that is overexpressed in many cancers, which is implicated in phosphorylation cascades. Through molecular dynamics theyfound that emodin forms favorable interactions with chitosan and chitosan PEG (polyethylene glycol) copolymers, which could aid in loading drugs into nanoparticles (NPs) for targeted delivery to cancerous tissue. Both polymers demonstrated reasonable entrapment efficiencies, which encourages experimental exploration of emodin through targeted drug delivery vehicles and their anticancer activity.
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Assessing and Improving Machine Learning Model Predictions of Polymer Glass Transition Temperatures
In this study, the authors test whether providing a larger dataset of glass transition temperatures (Tg) to train the machine-learning platform Polymer Genome would improve its accuracy. Polymer Genome is a machine learning based data-driven informatics platform for polymer property prediction and Tg is one property needed to design new polymers in silico. They found that training the model with their larger, curated dataset improved the algorithm's Tg, providing valuable improvements to this useful platform.
Read More...Enhancing the quantum efficiency of a silicon solar cell using one dimensional thin film interferometry
Here, recognizing the need to improve the efficiency of the conversion of solar energy to electrical energy, the authors used MATLAB to mathematically simulate a multi-layered thin film with an without an antireflective coating. They found that the use of alternating ZnO-SiO2 multilayers enhanced the transmission of light into the solar cell, increasing its efficiency and reducing the reflectivity of the Si-Air interface.
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...Heavy Metal Contamination of Hand-Pressed Well Water in HuNan, China
Unprocessed water from hand-pressed wells is still commonly used as a source of drinking water in Chenzhou, the “Nonferrous Metal Village” of China. Long et al. conducted a study to measure the heavy metal contamination levels and potential health effects in this area. Water samples were analyzed through Inductively Coupled Plasma Optical Emission Spectroscopy (ICPOES) and the concentrations of 20 metal elements. Results showed that although none of the samples had dangerous levels of heavy metals, the concentrations of Al, Fe, and Mn in many locations substantially exceeded those suggested in the Chinese Drinking Water Standard and the maximum contaminant levels of Environmental Protection Agency (EPA). The authors have made an important discovery regarding the water safety in HuNan and their suggestions to install water treatment systems would greatly benefit the community.
Read More...Converting SiO2 wafers to hydrophobic using chlorotrimethylsilane
Semiconductors are the center of the fourth industrial revolution as they are key components for all electronics. Exposed wafers made of silicon (Si), which can easily oxidize, convert to silicon dioxide (SiO2). The surface of SiO2 wafers consists of many Si-OH bonds, allowing them to easily bond with water, resulting in a “wet” or hydrophilic condition. We sought to determine a way to modify the surface of SiO2 wafers to become hydrophobic to ensure safe wet cleaning.
Read More...The design of Benzimidazole derivatives to bind to GDP-bound K-RAS for targeted cancer therapy
In this study, the authors looked at a proto-oncogene, KRAS, and searched for molecules that are predicted to be able to bind to the inactive form of KRAS. They found that a modified version of Irbesartan, a derivative of benzimidazole, showed the best binding to inactive KRAS.
Read More...Novel biaryl imines and amines as potential competitive inhibitors of dihydropteroate synthase
In this study, the authors design a series of new biaryl small molecules to target and block the binding pocket of the enzyme dihydropteroate synthase, which is important for prokaryotic biosynthesis of folic acid and could serve as better antimicrobial compounds.
Read More...Exploring the possibilities for reactions between SiW and alkaline solutions to be renewable energy sources
The authors looked at hydrogen gas production and how reaction temperature, concentration and alkaline solution used impacted the overall reaction with silicon. They found that all alkaline solutions tested would be viable options for using silicon waste to produce hydrogen gas to be used a renewable energy source.
Read More...Sepia bandensis ink inhibits polymerase chain reactions
While cephalopods play significant roles in both ecosystems and medical research, there is currently no assembled genome. In an attempt to sequence the Sepia bandensis genome, it was found that there was inhibition from the organism during DNA extraction, resulting in PCR failure. In this study, researchers tested the hypothesis that S. bandensis ink inhibits PCR. They then assessed the impact of ink on multiple methods of DNA extraction
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