Comparing the efficiencies of the Finite-Difference-Time-Domain and Wavelet-Basis-Set methods 

I used the finite-difference-time-domain (FDTD) technique and methods using basis sets, such as wavelets to investigate the physical properties of optically active nanoparticles. At resonant electromagnetic frequencies, these particles can concentrate electromagnetic energy on their surfaces causing a significant rise in temperature at strategic spots. This phenomenon can have multiple applications, for example, it can be used in cancer treatment, water purification, or as a useful component in electronic devices. This work was presented at the American Physics Society meeting in 2015.

Computational analysis of the potential energy surface of peroxyacetyl radical

During a summer research program at Center for Computational Quantum Chemistry at the University of Georgia I worked in Prof. Henry F. Schaefer’s group on computing the potential energy surface of peroxyacetyl radical (PA), a molecule which is a precursor to smog and ozone. Using coupled-cluster theory we computed geometries, thermodynamic relationships, adiabatic excitation energies, and anharmonic vibrational frequencies relevant to PA.

I received the best undergraduate talk award in Computational Chemistry for this work at GCURS (Gulf Coast Undergraduate Regional Symposium) at Rice University [poster].

Publication: Copan, A. V., Wiens, A. E., Nowara, E. M., Schaefer III, H. F., & Agarwal, J. “Peroxyacetyl radical: Electronic excitation energies, fundamental vibrational frequencies, and symmetry breaking in the first excited state.” The Journal of chemical physics 142.5 (2015): 054303.

Experimentally determining substrate specificity and kinetics of enzyme tyrosine hydroxylase

I studied the enzyme tyrosine hydroxylase (TyrH), which is essential in the synthesis of hormones, such as epinephrine and dopamine, and low levels of this enzyme may contribute to the development of Parkinson’s disease. I examined TyrH’s structure, the mechanisms responsible for its protection from proteolysis and increased activity, and the detrimental effects on its activity by Agent Orange. This work resulted in several poster presentations, including the Southwest Regional Meeting of the American Chemical Society (SWRM) in 2013.

poster

Analysis of prognostics factors of metaplastic breast carcinomas.

I worked on collecting and the statistical analysis of data from breast cancer patients at the Maria Sklodowska-Curie Cancer Center and Institute of Oncology in Gliwice, Poland.

Publication: Nowara, E., Drosik, A., Samborska-Plewicka, M., Nowara, E. M., & Stanek-Widera, A. “Metaplastic breast carcinomas-analysis of prognostic factors in a case series.” Contemp Oncol (Pozn) 18.2 (2014): 116-119.