As the world moves towards more eco-friendly methods for chemical synthesis, there's a strong interest in employing enzymes in chemical synthetic processes. Here, the authors explore how the activity of enzymes such as trypsin, lipase and nattokinase is affected by the electronic effects of the substrate they are acting on.
Did the COVID-19 pandemic and travel restrictions improve air quality? The authors investigate this question in New York City using existing pollution data and forecasting trends.
This study compares the voltage output of two potential alternative energy sources: water drops hitting a piezoelectric surface and water flowing through a hydroelectric turbine. The findings of this study suggest that harnessing kinetic energy from falling raindrops may be a viable alternative energy source.
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.
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.
Methane is a naturally-occurring gas that could be utilized as a renewable source of energy. In this study, authors isolated microorganisms from the Puget Sound region that could produce methane biofuel from composted waste.
One largely untapped source of clean energy is the use of osmotic gradients where freshwater and saltwater are mixed, for example at estuaries. To harness such energy, charge-selective membranes are needed to separate the anions and cations in saltwater, establishing an electric potential like a battery. The objective of this study was twofold: to investigate the creation of the polymer matrix and test the properties of boron nitride nanotubes, as both are essential in the creation of an ion-selective membrane. Out of three polymer samples tested in this study, the mixture known as Soltech 704 showed the best resistance to etching, as well as the highest UV cure rate.
Auto-Regressive Integrated Moving Average (ARIMA) models are known for their influence and application on time series data. This statistical analysis model uses time series data to depict future trends or values: a key contributor to crime mapping algorithms. However, the models may not function to their true potential when analyzing data with many different patterns. In order to determine the potential of ARIMA models, our research will test the model on irregularities in the data. Our team hypothesizes that the ARIMA model will be able to adapt to the different irregularities in the data that do not correspond to a certain trend or pattern. Using crime theft data and an ARIMA model, we determined the results of the ARIMA model’s forecast and how the accuracy differed on different days with irregularities in crime.
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.