David N. Beratan

David N. Beratan

R.J. Reynolds Professor of Chemistry

Office Location: 
5311 French Science Center, Durham, NC 27708
Front Office Address: 
Box 90346, Durham, NC 27708-0346
Phone: 
(919) 660-1526

Overview

Dr. Beratan is developing theoretical approaches to understand the function of complex molecular and macromolecular systems, including: the molecular underpinnings of energy harvesting and charge transport in biology; the mechanism of solar energy capture and conversion in man-made structures; the nature of charge conductivity in naturally occurring nucleic acids and in synthetic constructs, including the photochemical repair of damaged DNA in extremophiles; CH bond activation by copper oxygenase enzymes; the flow of charge in bacterial appendages on the micrometer length scale; the theoretical foundations for inverse molecular design - the property driven discovery of chemical structures with optimal properties; the exploitation of molecular diversity in the mapping of molecular and materials "space"; the use of infra-red excitation to manipulate electron transport through molecules; the optical signatures of molecular chirality and the influence of chirality on charge transport. Prof. Beratan is affiliated with the Departments of Chemistry, Biochemistry, Physics, as well as Duke's programs in Computational Biology and Bioinformatics, Structural Biology and Biophysics, Nanosciences, and Phononics.  

Education & Training

  • Ph.D., California Institute of Technology 1986

  • B.S., Duke University 1980

Selected Grants

Harnessing Small Molecules to Probe the Structure and Function of Long Noncoding RNAs awarded by National Institutes of Health (Collaborator). 2017 to 2022

Bioinformatics and Computational Biology Training Program awarded by National Institutes of Health (Mentor). 2005 to 2021

GAANN - Department of Chemistry awarded by Department of Education (Program Administrator). 2015 to 2019

Nanocrystal-Based Diodes for Solar to Electric Energy Conversion awarded by Department of Energy (Principal Investigator). 2007 to 2019

Blue Waters Fellowship - University of Illinois awarded by University of Illinois (Principal Investigator). 2018 to 2019

NSF/DMR-BSF: Bioinspired materials for electron and proton conduction membranes awarded by National Science Foundation (Principal Investigator). 2016 to 2019

Collaborative Research: Infra-Red Control of Electron Transfer Mechanisms awarded by National Science Foundation (Principal Investigator). 2007 to 2019

Mapping of Electron Tunneling Pathways in Proteins awarded by National Institutes of Health (Principal Investigator). 1993 to 2019

DNA Repair under Extreme Conditions - Extended Studies awarded by Temple University (Principal Investigator). 2017 to 2018

Biological Electron Transfer and Catalysis (BETCy) awarded by Montana State University (Principal Investigator). 2016 to 2018

Pages

Skourtis, SS, and Beratan, DN. "Single-and Multi-Electron Transfer Processes." Electron Transfer in Chemistry. April 15, 2008. 109-125. Full Text

Teo, RD, Terai, K, Migliore, A, and Beratan, DN. "Electron transfer characteristics of 2'-deoxy-2'-fluoro-arabinonucleic acid, a nucleic acid with enhanced chemical stability." Physical Chemistry Chemical Physics : Pccp (September 7, 2018). Full Text

Ma, Z, Antoniou, P, Zhang, P, Skourtis, SS, and Beratan, DN. "A Nonequilibrium Molecular Dynamics Study of Infrared Perturbed Electron Transfer." Journal of Chemical Theory and Computation (August 22, 2018). Full Text

Seefeldt, LC, Hoffman, BM, Peters, JW, Raugei, S, Beratan, DN, Antony, E, and Dean, DR. "Energy Transduction in Nitrogenase." Accounts of Chemical Research (August 10, 2018). Full Text

Peters, JW, Beratan, DN, Bothner, B, Dyer, RB, Harwood, CS, Heiden, ZM, Hille, R, Jones, AK, King, PW, Lu, Y, Lubner, CE, Minteer, SD, Mulder, DW, Raugei, S, Schut, GJ, Seefeldt, LC, Tokmina-Lukaszewska, M, Zadvornyy, OA, Zhang, P, and Adams, MW. "A new era for electron bifurcation." Current Opinion in Chemical Biology 47 (August 2018): 32-38. (Review) Full Text

Sha, R, Xiang, L, Liu, C, Balaeff, A, Zhang, Y, Zhang, P, Li, Y, Beratan, DN, Tao, N, and Seeman, NC. "Charge splitters and charge transport junctions based on guanine quadruplexes." Nature Nanotechnology 13.4 (April 2018): 316-321. Full Text

Peters, JW, Beratan, DN, Schut, GJ, and Adams, MWW. "On the nature of organic and inorganic centers that bifurcate electrons, coupling exergonic and endergonic oxidation-reduction reactions." Chemical Communications (Cambridge, England) 54.33 (April 2018): 4091-4099. Full Text

Liu, R, Bloom, BP, Waldeck, DH, Zhang, P, and Beratan, DN. "Improving Solar Cell Performance Using Quantum Dot Triad Charge-Separation Engines." The Journal of Physical Chemistry C 122.11 (March 22, 2018): 5924-5934. Full Text

Rousseau, BJG, Shafei, S, Migliore, A, Stanley, RJ, and Beratan, DN. "Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles." Journal of the American Chemical Society 140.8 (February 13, 2018): 2853-2861. Full Text

Ma, Z, Lin, Z, Lawrence, C, Rubtsov, IV, Antoniou, P, Skourtis, SS, Zhang, P, and Beratan, DN. "How can infra-red excitation both accelerate and slow charge transfer in the same molecule?." Chemical Science (2018). Full Text

Polizzi, NF, Wu, Y, Lemmin, T, Maxwell, AM, Zhang, S-Q, Rawson, J, Beratan, DN, Therien, MJ, and DeGrado, WF. "De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy." Nature Chemistry 9.12 (December 2017): 1157-1164. Full Text

Pages