@article{2791d0b165864943b5b32b1ac8c1b33e,
title = "Metal-Mediated DNA Nanotechnology in 3D: Structural Library by Templated Diffraction",
abstract = "DNA double helices containing metal-mediated DNA (mmDNA) base pairs are constructed from Ag+ and Hg2+ ions between pyrimidine:pyrimidine pairs with the promise of nanoelectronics. Rational design of mmDNA nanomaterials is impractical without a complete lexical and structural description. Here, the programmability of structural DNA nanotechnology toward its founding mission of self-assembling a diffraction platform for biomolecular structure determination is explored. The tensegrity triangle is employed to build a comprehensive structural library of mmDNA pairs via X-ray diffraction and generalized design rules for mmDNA construction are elucidated. Two binding modes are uncovered: N3-dominant, centrosymmetric pairs and major groove binders driven by 5-position ring modifications. Energy gap calculations show additional levels in the lowest unoccupied molecular orbitals (LUMO) of mmDNA structures, rendering them attractive molecular electronic candidates.",
keywords = "DNA nanotechnology, X-ray diffraction, metal base pairs, molecular electronics, nanomaterials",
author = "Simon Vecchioni and Brandon Lu and William Livernois and Ohayon, {Yoel P.} and Yoder, {Jesse B.} and Yang, {Chu Fan} and Karol Woloszyn and William Bernfeld and Anantram, {M. P.} and Canary, {James W.} and Hendrickson, {Wayne A.} and Rothschild, {Lynn J.} and Chengde Mao and Wind, {Shalom J.} and Seeman, {Nadrian C.} and Ruojie Sha",
note = "Funding Information: ASPIRE Program students at King School, CT, USA are mentored by Dr. Victoria K. Schulman. Funding of Office of Naval Research grant N000141912596 (NCS, JWC, RS), Department of Energy grant DE‐SC0007991 (NCS, RS), National Science Foundation grant CCF‐2106790 (N.C.S., R.S.) and CCF‐2107393 (C.M.), Human Frontiers Science Program grant RPG0010/2017 (N.C.S., R.S.), The MRSEC Program of the National Science Foundation, grant DMR‐1420073 (N.C.S., S.V.), The 2020 NASA Ames Center Innovation Fund Program (L.J.R., S.V.), and The King School Advanced Mathematics and Science Study Program Fund (W.B.) is acknowledged. M.P.A. acknowledges National Science Foundation grant numbers 1807391/1807555 (SemiSynBio Program) and 2036865 (Future of Manufacturing) for support. Publisher Copyright: {\textcopyright} 2023 Wiley-VCH GmbH.",
year = "2023",
month = jul,
day = "20",
doi = "10.1002/adma.202210938",
language = "English (US)",
volume = "35",
journal = "Advanced Materials",
issn = "0935-9648",
publisher = "Wiley-VCH Verlag",
number = "29",
}