In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...A computational quantum chemical study of fluorinated Allopurinol
In this study, the impact of fluorination of heterocyclic drug Allopurinol on its stability and other chemical properties is investigated.
Read More...Exploring Unconventional Growing Methods to Promote Healthy Growth in Common Household Plants: Tagetes patula L. and Lepidium sativum
This study focused on finding more sustainable growing methods that reduce chemical fertilizer or water usage and can be used at the household level for garden plants. Metrics for healthy plant growth were height at first bloom, growing time, and survival rate. The Deep Water Culture (DWC) treatment for garden cress plants significantly increased the height at first bloom compared to the control group. For rates of surviving plants, the treatments had little effect on garden cress, but the Eggshell Grounds, Wick System, and DWC system groups outperformed the control group for marigolds.
Read More...Association between nonpharmacological interventions and dementia: A retrospective cohort study
Here, the authors investigated the role of nonpharmacological interventions in preventing or delaying cognitive impairment in individuals with and without dementia. By using a retrospective case-control study of 22 participants across two senior centers in San Diego, they found no significant differences in self-reported activities. However, they found that their results reflected activity rather than the activity itself, suggesting the need for an alternative type of study.
Read More...Green Tea Extract as an Environmentally Friendly Antibacterial Agent Against Pseudomonas syringae pv. tomato on Plants
Plant pathogens can cause significant crop loss each year, but controlling them with bactericides or antibiotics can be costly and may be harmful to the environment. Green tea naturally contains polyphenols, which have been shown to have some antimicrobial properties. In this study, the authors show that green tea extract can inhibit growth of the plant pathogen Pseudomonas syringae pv. tomato and may be useful as an alternative bactericide for crops.
Read More...Comparative singlet oxygen photosensitizer efficiency of berberine, rose bengal, and methylene blue by time course nuclear magnetic resonance (NMR) monitoring of a photochemical 4+2 cycloaddition endoperoxide formation
Berberine, a natural product alkaloid, has been shown to exert biological activity via in situ production of singlet oxygen when photo irradiated. Berberine utilizes singlet oxygen in its putative mechanism of action, wherein it forms an activated complex with DNA and photosensitizes triplet oxygen to singlet oxygen to specifically oxidize guanine residues, thereby halting cell replication and leading to cell death. This has potential application in photodynamic therapy, alongside other such compounds which also act as photosensitizers and produce singlet oxygen in situ. The quantification of singlet oxygen in various photosensitizers, including berberine, is essential for determining their photosensitizer efficiencies. We postulated that the singlet oxygen produced by photoirradiation of berberine would be superior in terms of singlet oxygen production to the aforementioned photosensitizers when irradiated with UV light, but inferior under visible light conditions, due to its strong absorbance of UV wavelengths.
Read More...More efficient sources of water distribution for agricultural and general usage
Here, the authors investigated alternative methods to irrigate plants based on the their identification that current irrigation systems waste a large amount of fresh water. They compared three different delivery methods for water: conventional sprinkler, underground cloth, and a perforated pipe embedded in the soil. They found the cloth method to save the most water, although plant growth was slightly less in comparison to plants watered with the sprinkler method or pipe method.
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...Hybrid Quantum-Classical Generative Adversarial Network for synthesizing chemically feasible molecules
Current drug discovery processes can cost billions of dollars and usually take five to ten years. People have been researching and implementing various computational approaches to search for molecules and compounds from the chemical space, which can be on the order of 1060 molecules. One solution involves deep generative models, which are artificial intelligence models that learn from nonlinear data by modeling the probability distribution of chemical structures and creating similar data points from the trends it identifies. Aiming for faster runtime and greater robustness when analyzing high-dimensional data, we designed and implemented a Hybrid Quantum-Classical Generative Adversarial Network (QGAN) to synthesize molecules.
Read More...The Development and Maximization of a Novel Photosynthetic Microbial Fuel Cell Using Rhodospirillum rubrum
Microbial fuel cells (MFCs) are bio-electrochemical systems that utilize bacteria and are promising forms of alternative energy. Similar to chemical fuel cells, MFCs employ both an anode (accepts electrons) and a cathode (donates electrons), but in these devices the live bacteria donate the electrons necessary for current. In this study, the authors assess the functionality of a photosynthetic MFC that utilizes a purple non-sulfur bacterium. The MFC prototype they constructed was found to function over a range of environmental conditions, suggesting its potential use in industrial models.
Read More...Determining the Effect of Chemical and Physical Pretreatments on the Yield and Energy Output of Cellulosic Ethanol from Panicum Virgatum
Fossil fuels are a limited resource; thus, it is important to explore new sources of energy. The authors examine the ability of switchgrass to produce ethanol and test the effects of pretreatment and grinding on ethanol yield.
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