Research Interests for David N. Beratan

Research Interests:

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.

bioenergetics, Biophysics, Biosensing Techniques, Chemistry, Physical, chemistry, physical and theoretical, Chemistry, Physical and Theoretical, Drug Design, electron transfer theory, Electron Transport, Electronics, Energy Transfer, inverse design, Models, Theoretical, Nanotechnology, Optical Rotation, Oxidation-Reduction, Oxides, Oxidoreductases, Quantum Theory, Semiconductors, Stochastic Processes, theory of chirality, tunneling pathways
Recent Publications
  1. Peters, JW; Beratan, DN; Schut, GJ; Adams, MWW, On the nature of organic and inorganic centers that bifurcate electrons, coupling exergonic and endergonic oxidation-reduction reactions., Chemical Communications (April, 2018) [doi[abs]
  2. Liu, R; Bloom, BP; Waldeck, DH; Zhang, P; Beratan, DN, Improving Solar Cell Performance Using Quantum Dot Triad Charge-Separation Engines, The Journal of Physical Chemistry C, vol. 122 no. 11 (March, 2018), pp. 5924-5934 [doi[abs]
  3. Sha, R; Xiang, L; Liu, C; Balaeff, A; Zhang, Y; Zhang, P; Li, Y; Beratan, DN; Tao, N; Seeman, NC, Charge splitters and charge transport junctions based on guanine quadruplexes., Nature Nanotechnology (February, 2018) [doi[abs]
  4. Rousseau, BJG; Shafei, S; Migliore, A; Stanley, RJ; Beratan, DN, Determinants of Photolyase's DNA Repair Mechanism in Mesophiles and Extremophiles., Journal of the American Chemical Society (February, 2018) [doi[abs]
  5. Polizzi, NF; Wu, Y; Lemmin, T; Maxwell, AM; Zhang, S-Q; Rawson, J; Beratan, DN; Therien, MJ; DeGrado, WF, De novo design of a hyperstable non-natural protein-ligand complex with sub-Å accuracy., Nature Chemistry, vol. 9 no. 12 (December, 2017), pp. 1157-1164 [doi[abs]