In this study, the authors determined whether tautomerization dynamics in protic and aprotic solvents displayed differences in reaction rates and in the proportion of the keto and enol tautomers present.
Read More...Deuterated solvent effects in the kinetics and thermodynamics of keto-enol tautomerization of ETFAA
In this study, the authors determined whether tautomerization dynamics in protic and aprotic solvents displayed differences in reaction rates and in the proportion of the keto and enol tautomers present.
Read More...Exploring the Wonders of the Early Universe: Green Pea Galaxies and Light Flux
Studying other galaxies can help us understand the origins of the universe. Here, the authors study a type of galaxies known as Green Peas gaining insights that could help inform our understanding of Lyman alpha emitters, one of the first types of galaxies that existed in the early universe.
Read More...Using explainable artificial intelligence to identify patient-specific breast cancer subtypes
Breast cancer is the most common cancer in women, with approximately 300,000 diagnosed with breast cancer in 2023. It ranks second in cancer-related deaths for women, after lung cancer with nearly 50,000 deaths. Scientists have identified important genetic mutations in genes like BRCA1 and BRCA2 that lead to the development of breast cancer, but previous studies were limited as they focused on specific populations. To overcome limitations, diverse populations and powerful statistical methods like genome-wide association studies and whole-genome sequencing are needed. Explainable artificial intelligence (XAI) can be used in oncology and breast cancer research to overcome these limitations of specificity as it can analyze datasets of diagnosed patients by providing interpretable explanations for identified patterns and predictions. This project aims to achieve technological and medicinal goals by using advanced algorithms to identify breast cancer subtypes for faster diagnoses. Multiple methods were utilized to develop an efficient algorithm. We hypothesized that an XAI approach would be best as it can assign scores to genes, specifically with a 90% success rate. To test that, we ran multiple trials utilizing XAI methods through the identification of class-specific and patient-specific key genes. We found that the study demonstrated a pipeline that combines multiple XAI techniques to identify potential biomarker genes for breast cancer with a 95% success rate.
Read More...Correlation of socioeconomic status and lead concentration in tap water in Missouri
Organic and non-organic contaminants in tap water have been linked to adverse health effects. Tap water is a major source of lead, which is neurotoxic and poses a major health risk, particularly to children and pregnant women. Using publicly available annual water quality reports data for the state of Missouri, the authors show that communities with lower median household income and lower per capita incomes had significantly higher lead levels in their tap water.
Read More...A Retrospective Study of Research Data on End Stage Renal Disease
End Stage Renal Disease (ESRD) is a growing health concern in the United States. The authors of this study present a study of ESRD incidence over a 32-year period, providing an in-depth look at the contributions of age, race, gender, and underlying medical factors to this disease.
Read More...The Effects of Atmospheric Attenuation on Cosmic Ray Muons: How is Surface Level Cosmic Ray Muon Flux Affected by Atmospheric Attenuation?
Cosmic rays are high-energy astronomical particles originating from various sources across the universe. Here, The authors sought to understand how surface-level cosmic-ray muon flux is affected by atmospheric attenuation by measuring the variation in relative muon-flux rate relative to zenith angle, testing the hypothesis that muons follow an exponential attenuation model. The attenuation model predicts an attenuation length of 6.3 km. This result implies that only a maximum of 24% of muons can reach the Earth’s surface, due to both decay and atmospheric interactions.
Read More...Milkweed sustainability in the Sonoran Desert: A. erosa is more water-efficient compared to two other species
This study assesses the capacity for milkweed species, an important host plant for Monarch butterflies, to grow in desert environments with different water levels.
Read More...Effect of Manuka Honey and Licorice Root Extract on the Growth of Porphyromonas gingivalis: An In Vitro Study
Chronic bad breath, or halitosis, is a problem faced by nearly 50% of the general poluation, but existing treatments such as liquid mouthwash or sugar-free gum are imperfect and temporary solutions. In this study, the authors investigate potential alternative treatments using natural ingredients such as Manuka Honey and Licorice root extract. They found that Manuka honey is almost as effective as commercial mouthwashes in reducing the growth of P gingivalis (one of the main bacteria that causes bad breath), while Licorice root extract was largely ineffective. The authors' results suggest that Manuka honey is a promising candidate in the search for new and improved halitosis treatments.
Read More...Strain-selective in vitro and in silico structure activity relationship (SAR) of N-acyl β-lactam broad spectrum antibiotics
In this study, the authors investigate the antibacterial efficacy of penicillin G and its analogs amoxicillin, carbenicillin, piperacillin, cloxacillin, and ampicillin, against four species of bacteria. Results showed that all six penicillin-type antibiotics inhibit Staphylococcus epidermidis, Escherichia coli, and Neisseria sicca with varying degrees of efficacy but exhibited no inhibition against Bacillus cereus. Penicillin G had the greatest broad-spectrum antibacterial activity with a high radius of inhibition against S. epidermidis, E. coli, and N. sicca.
Read More...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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