The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.
Read More...Evaluating the feasibility of SMILES-based autoencoders for drug discovery
The authors investigate the ability of machine learning models to developing new drug-like molecules by learning desired chemical properties versus simply generating molecules that similar to those in the training set.
Read More...Ramifications of natural and artificial sweeteners on the gastrointestinal system
This study aimed to determine whether artificial sweeteners are harmful to the human microbiome by investigating two different bacteria found to be advantageous to the human gut, Escherichia coli and Bacillus coagulans. Results showed dramatic reduction in bacterial growth for agar plates containing two artificial sweeteners in comparison to two natural sweeteners. This led to the conclusion that both artificial sweeteners inhibit the growth of the two bacteria and warrants further study to determine if zero-sugar sweeteners may be worse for the human gut than natural sugar itself.
Read More...Analyzing honey’s ability to inhibit the growth of Rhizopus stolonifer
Rhizopus stolonifer is a mold commonly found growing on bread that can cause many negative health effects when consumed. Preservatives are the well-known answer to this problem; however, many preservatives are not naturally found in food, and some have negative health effects of their own. We focused on honey as a possible solution because of its natural origin and self-preservation ability. We hypothesized that honey would decrease the growth rate of R. stolonifer . We evaluated the honey with a zone of inhibition (ZOI) test on agar plates. Sabouraud dextrose agar was mixed with differing volumes of honey to generate concentrations between 10.0% and 30.0%. These plates were then inoculated with a solution of spores collected from the mold. The ZOI was measured to determine antifungal effectiveness. A statistically significant difference was found between the means of all concentrations except for 20.0% and 22.5%. Our findings support the hypothesis as we showed a positive correlation between the honey concentration and growth rate of mold. By using this data, progress could be made on an all-natural, honey-based preservative.
Read More...Error mitigation of quantum teleportation on IBM quantum computers
Quantum computers can perform computational tasks beyond the capability of classical computers, such as simulating quantum systems in materials science and chemistry. Quantum teleportation is the transfer of quantum information across distances, relying on entangled states generated by quantum computing. We sought to mitigate the error of quantum teleportation which was simulated on IBM cloud quantum computers.
Read More...Use of yogurt bacteria as a model surrogate to compare household cleaning solutions
While resources on the safety of household cleaning products are plentiful, measures of efficacy of these cleaning chemicals against bacteria and viruses remain without standardization in the consumer market. The COVID pandemic has exasperated this knowledge gap, stoking the growth of misinformation and misuse surrounding household cleaning chemicals. Arriving at a time dire for sanitization standardization, the authors of this paper have created a quantifying framework for consumers by comparing a wide range of household cleaning products in their efficacy against bacteria generated by a safe and easily replicable yogurt model.
Read More...The effect of the pandemic on the behavior of junior high school students
Here, seeking to understand how the COVID-19 pandemic affected the social interactions of junior high school students, the authors surveyed students, teachers, and parents. Contrary to their initial hypotheses, the authors found positive correlation between increased virtual contact during social isolation and in-person conflict and disregard for social norms after the pandemic. While the authors identified the limitations of their study, they suggest that further research into the effect of online interactions is becoming increasingly important.
Read More...A land use regression model to predict emissions from oil and gas production using machine learning
Emissions from oil and natural gas (O&G) wells such as nitrogen dioxide (NO2), volatile organic compounds (VOCs), and ozone (O3) can severely impact the health of communities located near wells. In this study, we used O&G activity and wind-carried emissions to quantify the extent to which O&G wells affect the air quality of nearby communities, revealing that NO2, NOx, and NO are correlated to O&G activity. We then developed a novel land use regression (LUR) model using machine learning based on O&G prevalence to predict emissions.
Read More...Structure-activity relationship of berberine and G4 DNA reveals aromaticity’s effect on binding affinity
Berberine is a natural quaternary alkaloid that has anti-microbial and anti-cancer effects. This compound can bind to Guanine Quadruplex (G4) DNA secondary complexes to help inhibit cancer cell proliferation. In this study, the authors investigate whether incorporating large aromatic rings helps to stabilize berberine-G4 interactions.
Read More...Association of agenesis of the corpus callosum with epilepsy and anticonvulsant drug treatment
Agenesis of the Corpus Callosum (ACC) is a birth defect where an infant’s corpus callosum, the structure linking the brain’s two hemispheres to allow interhemispheric communication, fails to develop in a typical manner during pregnancy. Existing research on the connection between ACC and epilepsy leaves significant gaps, due to the lack of focused investigation. One important gap is the degree to which ACC may impact the course of epilepsy treatment and outcomes. The present study was conducted to test the hypotheses that epilepsy is highly prevalent among individuals with ACC, and that those with both ACC and epilepsy have a lower response rate to anticonvulsant drugs than other patients treated with anticonvulsant drugs. A weighted average of epilepsy rates was calculated from a review of existing literature, which supported the hypothesis that epilepsy was more common among individuals with ACC (25.11%) than in the general population (1.2%). An empirical survey administered to 57 subjects or parents of subjects showed that rate of intractable epilepsy among study subjects with both ACC and epilepsy was substantially higher than the rate found in the general population, indicating that individuals with both conditions had a lower response rate to the anticonvulsant drugs. This study contributes novel results regarding the potential for concurrence of ACC and epilepsy to interfere with anticonvulsant drug treatment. We also discuss implications for how medical professionals may use the findings of this study to add depth to their treatment decisions.
Read More...Cell cytotoxicity and pro-apoptosis on MCF-7 cells using polyherbal formulation, MAT20
The purpose of this study was to test the anti-cancer properties and pro-apoptotic effects of the polyherbal formulation MAT20 as a complementary treatment. Moringa oleifera (Moringa), Phyllanthus emblica (Amla) and Ocimum sanctum (Tulsi), these 3 herbs were used to formulate MAT20, which contain phytochemicals that are known to display anti-cancer properties. In this study, we hypothesized that MCF-7 breast cancer cells treated with MAT20 would show increased cytotoxicity compared to its individual plant extracts.
Read More...