9MMB

[T:Ag+/Hg2+:T--(pH9.5-pH11; 40s)] Metal-mediated DNA base pair in tensegrity triangle grown at pH 9.5 and soaked in pH 11 for 40s

Summary for 9MMB

• Entry DOI: 10.2210/pdb9mmb/pdb
• Descriptor: DNA (5'-D(*GP*AP*GP*CP*AP*GP*CP*CP*TP*GP*TP*TP*TP*GP*GP*AP*CP*AP*TP*CP*A)-3'), DNA (5'-D(P*CP*CP*AP*TP*AP*CP*A)-3'), DNA (5'-D(P*GP*GP*CP*TP*GP*CP*T)-3'), ... (5 entities in total)
• Functional Keywords: tensegrity triangle, metal-mediated dna, dna
• Biological source: synthetic construct; More
• Total number of polymer chains: 4
• Total formula weight: 13003.15

Authors

Lu, B.,Vecchioni, S. (deposition date: 2024-12-20, release date: 2025-10-29)

Primary citation

De, A.,Lu, B.,Ohayon, Y.P.,Woloszyn, K.,Livernois, W.,Perren, L.,Yang, C.F.,Mao, C.,Botana, A.S.,Hihath, J.,Canary, J.W.,Sha, R.,Anantram, M.P.,Vecchioni, S.
Transmetalation for DNA-Based Molecular Electronics.
Small, 21:e2411518-e2411518, 2025

PubMed Abstract: The rational design of molecular electronics remains a grand challenge of materials science. DNA nanotechnology has offered unmatched control over molecular geometry, but direct electronic functionalization is a challenge. Here a generalized method is presented for tuning the local band structure of DNA using transmetalation in metal-mediated base pairs (mmDNA). A method is developed for time-resolved X-ray diffraction using self-assembling DNA crystals to establish the exchange of Ag and Hg in T:T base pairs driven by pH exchange. Transmetalation is tracked over six reaction phases as crystal pH is changed from pH 8.0 to 11.0, and vice versa. A detailed computational analysis of the electronic configuration and transmission in the ensuing crystal structures is then performed. This findings reveal a high conductance contrast in the lowest unoccupied molecular orbitals (LUMO) as a result of metalation. The ability to exchange single transition metal ions as a result of environmental stimuli heralds a means of modulating the conductance of DNA-based molecular electronics. In this way, both theoretical and experimental basis are established by which mmDNA can be leveraged to build rewritable memory devices and nanoelectronics.

PubMed: 40364470
DOI: 10.1002/smll.202411518

Experimental method

X-RAY DIFFRACTION (4.72 Å)