A Computational Study of dsDNA Pairs and Vibrational Resonance

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A Computational Study of dsDNA Pairs and
Vibrational Resonance in Separating Water
Supplementary Information
RICHARD J. CALLOWAY, MICHAEL D. PROCTOR*, VICTOR M. BOYER, SAMATHA NAPIER
University of Central Florida, Orlando, Florida 32816, USA
*To whom correspondence should be addressed. Email: mproctor@mail.ucf.edu
Graphical representations of each of the 4 initial system states are illustrated in Figures 14. The red and blue spheres represent nucleic acid chains and the larger yellow/light blue
spheres represent Na+ and Cl- ions (salt) in the solvent. Below are illustrations of the
actual test systems that are reasonably scaled with the exception of the size of the nucleic
acids and ions being exaggerated to make them more visible among the water molecules.
Figure 1: End-to-end Linear Configuration
Figure 2: Parallel Configuration
Figure 3: Perpendicular "T" Configuration
Figure 4: Skew Configuration
The following are the graphical results for the remaining 4 systems (parallel,
perpendicular T, skew, and the end-to-end linear with randomly sequenced molecules).
Figure 5: Parallel Configuration Spectral Content
Figure 6: Perpendicular T Configuration Spectral Content
Figure 7: Skew Configuration Spectral Content
Figure 8: Spectral Content for End-to-end Linear Configuration with
Randomly Sequence Molecules
Comparison of Statistically Significant Matching Frequencies
Grouped by Association with the Energetic Sequence
tataaacgcctataaacgcc
and by Association with 2 Random Sequences
tgaataacacatctcacacg and atcatatcgcaacagacatc
4 system Z matches
With Energetic Sequence
1.00E+09
1.50E+09
3.00E+09
4.50E+09
5.00E+09
6.50E+09
7.50E+09
8.50E+09
1.05E+10
1.10E+10
1.25E+10
1.75E+10
2.00E+10
2.10E+10
2.15E+10
3.00E+10
4.75E+10
6.25E+10
1.38E+11
1.70E+11
2.19E+11
6.05E+10
8.65E+10
1.21E+11
1.21E+11
1.71E+11
2.63E+11
4.79E+11
4 system Z matches
With Random Sequences
1.00E+09
1.50E+09
3.00E+09
4.50E+09
5.00E+09
6.50E+09
7.50E+09
8.50E+09
1.05E+10
1.10E+10
1.25E+10
1.75E+10
2.00E+10
2.10E+10
2.15E+10
3.00E+10
4.75E+10
6.25E+10
1.38E+11
1.70E+11
2.19E+11
1.20E+10
2.25E+10
3.85E+10
4.10E+10
6.20E+10
7.05E+10
8.05E+10
1.15E+11
1.81E+11
2.22E+11
2.42E+11
2.73E+11
3.52E+11
5.22E+11
Table 1: Comparison of Statistically Significant Matching Frequencies
(in Hz)
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