Laying waste to Energy problems
This research aims at exploiting civil and pre-treated industrial wastewaters that go into the purifier and those that come out of it after various treatments in order to build a galvanic cell with the goal of producing clean electric energy. Our background hypothesis is that it is possible to exploit the existing potential difference between these two types of water to generate electricity. In fact, the water sent for purification contains elements (carbon, nitrogen, sulphur, phosphorus, etc.) in a predominantly "reduced" state and its oxygen level is scarce. On the other hand, the water coming out of the process contains the same elements in a mostly "oxidized" state and it is rich in oxygen. Those chemical discrepancies should get the job done. In order to simulate the two types of water, two different solutions were prepared. The first one is highly concentrated with pollutants and gaseous nitrogen is insufflated in it to reproduce its anoxic environment. The second one’s pollution level is based on the Italian legislative limits of chemical contaminants for superficial waters (Legislative Decree 152/2006) and the semi-cell is insufflated with gaseous oxygen.
The effects of Different Synthesis Methods and Catalysts on Crude Aspirin
Aspirin is one of the most used and well-known medicines world-wide. It can be synthesized by reacting acetic anhydride and salicylic acid in a warm temperature of around 60-80°C. This reaction is usually catalyzed by sulfuric or phosphoric acid. This paper will investigate alternative catalysts, safer and more environmentally friendly, as well as compare different synthesis methods with different heat mediums, one using a water bath and the other amicrowave. By doing so, the effects of the catalyst and the method of synthesis on the yield, purity and environmental consequence of crude aspirin synthesis will be deduced. The targeted utcome is to find the alternative method as more energy efficient, and to find a greener safer catalyst to sulfuric and phosphoric acid. Further background information, exploration, and explanation is in the appendix. The targeted outcome will be to find a viable alternative catalyst that is safer and more environmentally friendly, and to find that the microwave synthesis method consumes less energy.
In Silico Modeling of Lovastatin Analogues as Inhibitors of HIV-1 Nef Protein
Currently, no method can completely eliminate the human immunodeficiency virus (HIV) in an infected person. HIV employs an accessory protein called Nef that forms a complex with cellular AP-1, preventing detection of HIV-infected cells. Lovastatin has been recently identified to inhibit the formation of said Nef-AP-1 complex, but its effective concentration is remarked to be far higher than other Nef inhibitors. This study aims to develop a modified lovastatin molecule exhibiting higher binding affinity to the HIV-1 Nef protein than lovastatin in silico. Modified lovastatin molecules based on the interaction map of lovastatin with Nef were modeled, and flexible ligand-flexible receptor docking to the Nef binding site was performed using AutoDock Vina. Residues within the Nef binding site identified by Liu et al. (2019) to be crucial (Glu-63, Val-66, Phe-68, Asp-108, Leu-112, Tyr-115) were set as flexible. Fragment-based drug design was utilized to append molecular fragments to lovastatin in order to maximize its interactions with said crucial residues. From the fragment-based approach, molecule F4 ((1S,3S)‐8‐{2‐[(2R,4R)‐4‐chloro‐6‐oxooxan‐2‐yl]ethyl}‐3‐(hydroxymethyl)‐7‐methyl‐1,2,3,4‐tetrahydronaphthalen‐1‐yl 4‐aminobenzoate) exhibited a binding affinity of -9.0 kcal/mole, and its estimated IC50 ranges between 0.25-0.51 μM which is at least 7.5 times lower than the reported IC50 of lovastatin from literature. This study presents insights on the key modifications to improve lovastatin as an HIV-1 Nef inhibitor and pertinent information about the Nef binding site for future drug development studies.