Bulletin of the American Physical Society
Joint Fall 2022 Meeting of the Texas Section of the APS, Texas Section of the AAPT, and Zone 13 of the SPS
Volume 67, Number 11
Thursday–Saturday, October 13–15, 2022; Rice University, Houston, Texas
Session H01: Poster Session
5:00 PM,
Friday, October 14, 2022
Rice University BRC
Room: Exhibition Hall
Abstract: H01.00012 : A Study of DNA Mutation Causing a Cancer Using Gene Editing Program and Molecular Geometry Analysis
Presenter:
Jungwook Lee
(CRG-NJ)
Authors:
Jungwook Lee
(CRG-NJ)
Richard Kyung
(CRG-NJ)
This research investigated the stability of nitrogenous base molecules, including C-T, C-U, and U-U. Computational chemistry, Density Functional Theory (DFT), was used in order to model the structures and electron properties of the compound. We hypothesized that there are more stereo-chemically and thermodynamically favorable bases with optimal optimization energy. Also, the results showed that the optimization energy of the studied gene molecules and adduct does not change linearly to the molecular weight measured. Thus the weight and the size of molecules are independent of the optimized energy. The difference between the optimization energy of Guanine vs. Cytosine and G-BPDE vs. Cytosine was calculated, and it is very similar to that of the difference of the optimization energy between Guanine vs. Cytosine, Cytosine vs. Guanine, and G-BPDE:Cytosine Cytosine vs. Guanine, meaning that BPDE will add about a difference to the optimization energy of the Guanine vs. Cytosine and G-BPDE:Cytosine compound.
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