Computational Studies and Raman Spectra of Ten Sulfa Drugs Blog 2

So far, my work with the Mojica Research Group on the computational studies and Raman spectra of ten different sulfa antibiotics has been successful. I have continued to assign peaks on the different trials for each of the ten drugs. I have started to observe several peaks on the Raman graphs that are present in the different derivatives. However, there are a few differences that I have observed. These results have made me wonder what will happen if I were to obtain the Raman spectra of a mixture of all ten of the derivatives. What peaks will still be present and which ones will disappear?

I have learned a lot of valuable qualities doing this research so far this summer. I have learned that it takes a good amount of time and patience to have Raman spectra on ten different substances, and even more time to assign the peaks for each of the compound.

The next step for this research is to calculate the theoretical Raman spectra using the software Gaussian. I will then compare the theoretical data and the experimental data. I also hope to obtain more sulfa derivatives to add to this experiment. The more sulfa drugs I have the opportunity to test the more accurate my data will be. I will continue this study in the coming school year.

 

Computational Studies and Raman Spectra of Ten Sulfa Drugs Blog 1

This summer I am continuing to do research with the Mojica Research Group on the vibrational spectroscopy of antibioticsĀ  focusing on the computational studies and Raman spectra of sulfa drugs. These are antibiotics commonly used in aquacultural herbicides and in the treatment of respiratory and urinary tract infections in humans. The aim of the work is to identify chemical bonds, unique to the sulfa drugs, which are not only key in understanding its antimicrobial properties but will also provide a way to quantitate amounts of each drug in a given mixture. The drugs that I have been testing so far are sulfamethazine, sulfamethoxazole, sulfachloropyridazine, sulfadimethoxine, sulfathiazole, sulfamerazine, sulfisoxazole, sulfamethizole, sulfameter, and sulfadiazine. I am still waiting for any additional sulfa drugs from our research collaborator.

So far, I have obtained the Raman spectra of the available sulfa drugs and I am currently processing the data by assigning the functional groups on the peaks observed. My next step will be to do the calculations for the theoretical Raman spectra using the software Gaussian and then compare the results with the experimental values.