| About this Abstract |
| Meeting |
MS&T21: Materials Science & Technology
|
| Symposium
|
Nanotechnology for Energy, Environment, Electronics, Healthcare and Industry
|
| Presentation Title |
Substituent Effects on the Solubility and Electronic Properties of the Cyanine Dye Cy5 |
| Author(s) |
Austin Biaggne, Jeunghoon Lee, William B. Knowlton, Bernard Yurke, Lan Li |
| On-Site Speaker (Planned) |
Austin Biaggne |
| Abstract Scope |
The solubility and electronic dipole properties of Cy5 dyes are of interest for their effects on the excitonic properties of Cy5 dye aggregates. By modifying the ends of Cy5 dyes to include substituent groups, the dye monomer’s properties can be tailored. Using density functional theory methods, it was found that substituents increase the hydrophilicity of Cy5 dyes. Dyes with two electron withdrawing substituents or one withdrawing and one donating substituent were found to have static dipole differences up to three times that of pristine Cy5. The increase in static dipole differences was found to be positively correlated with the sum of the substituent Hammett constants. Using molecular dynamics simulations, it was found that DNA templating can bring the dyes to within a nanometer of each other with oblique orientations. This research was supported fully by the Department of Navy, Office of Naval Research, award No. N00014-19-1-2615. |