My research on the computational studies and Raman spectra of ten different sulfa antibiotics has been going well. I have assigned functional groups to most of the peaks that are in the spectra. I have identified peaks that are common throughout the different antibiotics and I have also identified a few distinguishing peaks between them. I have begun to assign bond movements to each of the peaks as well. This process includes inputting the entire structure of the antibiotic into the computer program Gaussian and looking at the theoretical peaks that can be generated after performing an optimization and frequency test. Then I observe and record what movement I see when looking at each peak that is present in the spectra. By the end of the study I will have done this for all 10 of the antibiotics. It is a very time consuming process but in the end it can tell us a lot about the molecule.
This past week I worked in the lab here at Pace and ran the samples of 7 out of the 10 antibiotics again using the mini Raman Spectrometer. I had to determine what settings for the time average and multiplier, which are settings on the program that determine how long the sample is run for, would give me the most intense peaks. I did this by running a sample of Tylenol as a control first, since we know what the Raman spectra of Tylenol should look like. Once I found the best setting I ran the sulfa antibiotics under the same conditions. I am going to compare the new spectra that I obtained with the older data that I have from before. I will be looking for any abnormalities in the data, if there is anything new, and if the data is just better overall.