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Anticholinergics are used in treating asthma, a chronic inflammation of the airways. These drugs block human M1 and M2 muscarinic acetylcholine receptors, inhibiting bronchoconstriction. However, studies have reported complications of anticholinergic usage, such as exacerbated eosinophil production and worsened urinary retention. Modification of known anticholinergics using bioisosteric replacements to increase efficacy could potentially minimize these complications. The present study focuses on identifying viable analogs of anticholinergics to improve binding energy to the receptors compared to current treatment options. Glycopyrrolate (G), ipratropium (IB), and tiotropium bromide (TB) were chosen as parent drugs of interest, due to the presence of common functional groups within the molecules, specifically esters and alcohols. Docking score analysis via AutoDock Vina was used to evaluate the binding energy between drug analogs and the muscarinic acetylcholine receptors. The final results suggest that G-A3, IB-A3, and TB-A1 are the most viable analogs, as binding energy was improved when compared to the parent drug. G-A4, IB-A4, IB-A5, TB-A3, and TB-A4 are also potential candidates, although there were slight regressions in binding energy to both muscarinic receptors for these analogs. By researching the effects of bioisosteric replacements of current anticholinergics, it is evident that there is a potential to provide asthmatics with more effective treatment options.

In an effort to reduce the production of hazardous substances, green chemistry aims to make chemical processes more sustainable. One way to do so is changing solvents in chemical reactions. Here, authors assessed different “green” solvents on the oxidation of (-)-menthol to (-)-menthone using Fourier-transform infrared (FTIR) spectroscopy, optimizing the solvent system for this reaction.

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.

Diabetes is a growing health concern in the developing world. This study aimed to develop a questionnaire that uses factors including age, blood pressure, BMI, and family history to predict whether Filipino participants are at risk for diabetes.

There are complex interactions between water and outside forces such as magnetic fields. This study aims to examine the effects of magnetic forces on the flow rate of water. The alteration of flow rate by magnets could have exciting applications in many fields.

Here, recognizing the difficulty that visually impaired people may have differentiating United States currency, the authors sought to use artificial intelligence (AI) models to identify US currencies. With a one-stage AI they reported a test accuracy of 89%, finding that multi-level deep learning models did not provide any significant advantage over a single-level AI.

Here, in an effort to develop a model to predict future groundwater levels, the authors tested a tree-based automated artificial intelligence (AI) model against other methods. Through their analysis they found that groundwater levels in Texas aquifers are down significantly, and found that tree-based AI models most accurately predicted future levels.

Social media is widely used and easily accessible for adolescents, it has the potential to increase STEM (Science, Technology, Engineering, and Math) identity in girls. We aimed to investigate the effects of exposure to counter-stereotypical portrayals of women in STEM on social media on the STEM identity of adolescent girls. The study concluded that social media alone may not be an effective tool to increase STEM identity in girls. Social media can still be used as a complementary tool to support and encourage women in STEM, but it should not be relied upon solely to address the gender disparity in STEM fields.

The energy of an atom is extremely useful in nuclear physics and reaction mechanism pathway determination but is challenging to compute. This work aimed to synthesize regression models for Pople Gaussian expansions of Slater-type Orbitals (STO-nG) atomic energy vs. atomic number scatter plots to allow for easy approximation of atomic energies without using computational chemistry methods. The data indicated that of the regressions, sinusoidal regressions most aptly modeled the scatter plots.

In this study the authors look at elastic modulus and stiffness of steel rules with vary lengths of cracks. They found that cracks decreased the overall elastic modulus and bending stiffness of the ruler. This work has applications to structural engineering and the design of items such as airplanes and bridges.