The College of Education for Pure Sciences in the Department of Chemistry discussed a master's thesis on the preparation, spectral, thermodynamic and biological activity of foylorite salts. The thesis presented by the researcher (Hoda Nouri Abdul Zahra) included the study of the preparation of foyloric acid and then its reaction with a number of aromatic amines to synthesize foylorite salts H1, H2, H5, H6, H19 and H10. The prepared compounds were characterized by infrared spectroscopy, mass spectroscopy (electrospray ionization in negative and positive modes ESI+ and ESI-), proton nuclear magnetic resonance spectroscopy and carbon nuclear magnetic resonance 13. The biological activity of the prepared compounds H1, H2, H19, H10, H6 and H5 was studied against two types of bacteria, namely Escherichia coli and Staphylococcus aureus. And study the effect of solvent on the mass spectrum of compound H19 in positive mode electrospray ionization spectra.
And study the electronic spectra of compounds H5 and H19 with dimethyl sulfoxide and ethanol solvent.
The theoretical study showed and included the following axes.
And conduct the geometric optimization process (geometric matching) for the compounds targeted by the study Va, H1, H2, H5, H6, H10, and H19 at the level of basic groups 6-31G++(d,p) and using dahlia to obtain the best geometric structure at the lowest energy levels.
And calculate the change in thermodynamic functions such as enthalpy, entropy, and free energy for the reaction of forming compounds
And calculate the reaction rate constant:
The thesis concluded
The results of the biological activity study that some of the studied compounds have a good ability to inhibit Escherichia coli bacteria, bacteria, and Staphylococcus aureus.
The results of the computer study also showed that the studied compounds possess the property of nonlinear optical response.
