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.
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.
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.
Phagocytes feed by forming food vacuoles. In this article the authors investigate the extent that exposure of non-nutritional food, such as India Ink, to Tetrahymena pyriformis affects the number of vacuole formation. These studies provide insight to how organisms budget their energy and metabolic processes during an energy shortage.
In this study the authors looked the trajectories of cosmic rays moving through a dipole field. They found that the trajectories of cosmic rays are determined by a particle's energy and interaction with Earth's B field.
Disruptions to the microbiome, specifically the imbalance in the two major phyla, the Firmicutes and the Bacteroidetes, have been linked to the development of obesity. This study explored whether or not Fage plain total 0% Greek yogurt, which contains live and active bacterial cultures belonging to the Firmicute phylum, could decrease the numbers of Bacteroides thetaiotaomicron, an organism found in the human gut that belongs to the Bacteroidetes phylum.
Dye-sensitized solar cells (DSSC) use dye as the photoactive material, which capture the incoming photon of light and use the energy to excite electrons. Research in DSSCs has centered around improving the efficacy of photosensitive dyes. A fruit's color is defined by a unique set of molecules, known as a pigment profile, which changes as a fruit progresses from ripe to rotten. This project investigates the use of fresh and rotten fruit extracts as the photoactive dye in a DSSC.
Berberine, a natural product alkaloid, and its analogs have a wide range of medicinal properties, including antibacterial and anticancer effects. Here, the authors explored a library of alkyl or aryl berberine analogs to probe binding to double-stranded and G-quadruplex DNA. They determined that the nature of the substituent, the position of the substituent, and the nucleic acid target affect the free energy of binding of berberine analogs to DNA and G-quadruplex DNA, however berberine analogs did not result in net stabilization of G-quadruplex DNA.
