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. Author manuscript; available in PMC: 2021 Jun 15.
Published in final edited form as: J Phys Chem C Nanomater Interfaces. 2020;124:10.1021/acs.jpcc.0c00983. doi: 10.1021/acs.jpcc.0c00983

Figure 2.

Figure 2.

Schematic for the relative free energy change (ΔΔGsolv) between different ssDNA sequences bound to the same chirality tube. For each ssDNA conformation or sequence to be examined, the oligonucleotides are decoupled from the surrounding environment to reach the bare SWCNT reference state. The red and green ssDNA molecules represent different sequences adsorbed to the same chirality nanotube undergoing full molecular interactions. The white colored molecules in the intermediate state, corresponding to transitions ΔG1 and ΔG3, represent sequences in which the electrostatic interactions have been decoupled from the surroundings. Finally, to reach the bare SWCNT reference state, corresponding to transitions ΔG2 and ΔG4, the van der Waals forces are additionally decoupled from the surroundings.