Scope of Work We will elaborate new classes of de novo proteins that differ radically from natural photosynthetic systems and electron transfer proteins, that will ultimately enable us to decipher the essential engineering criteria important for the efficient conversion of photonic energy into electrochemical potential energy. Ultimately, we aim to establish rules, principles, and quantitative models that describe biological energy conversion by studying designed, well- controlled de novo proteins-systems that permit the logical dissection of structure-function relationships in molecular bioenergetics. Our efforts will include: (i) cofactor design and synthesis, (ii) protein expression, (iii) modern time-resolved spectroscopy, (iv) computational protein design, (v) molecular simulation, (vi) and theoretical analysis of fluctuating charge transport pathways, electronic coupling interactions, and charge migration dynamics.

Agency
National Institute of Health (NIH)
Institute
National Institute of General Medical Sciences (NIGMS)
Type
Research Project (R01)
Project #
3R01GM071628-08S1
Application #
8656883
Study Section
Special Emphasis Panel (ZRG1 (02))
Program Officer
Smith, Ward
Project Start
2004-08-01
Project End
2015-07-31
Budget Start
2013-08-01
Budget End
2014-07-31
Support Year
8
Fiscal Year
2013
Total Cost
$62,655
Indirect Cost
$19,391
Name
Duke University
Department
Chemistry
Type
Schools of Arts and Sciences
DUNS #
044387793
City
Durham
State
NC
Country
United States
Zip Code
27705
Polizzi, Nicholas F; Eibling, Matthew J; Perez-Aguilar, Jose Manuel et al. (2016) Photoinduced Electron Transfer Elicits a Change in the Static Dielectric Constant of a de Novo Designed Protein. J Am Chem Soc 138:2130-3
Ulas, Gözde; Lemmin, Thomas; Wu, Yibing et al. (2016) Designed metalloprotein stabilizes a semiquinone radical. Nat Chem 8:354-9
Snyder, Rae Ana; Butch, Susan E; Reig, Amanda J et al. (2015) Molecular-Level Insight into the Differential Oxidase and Oxygenase Reactivities of de Novo Due Ferri Proteins. J Am Chem Soc 137:9302-14
Beratan, David N; Liu, Chaoren; Migliore, Agostino et al. (2015) Charge transfer in dynamical biosystems, or the treachery of (static) images. Acc Chem Res 48:474-81
Snyder, Rae Ana; Betzu, Justine; Butch, Susan E et al. (2015) Systematic Perturbations of Binuclear Non-heme Iron Sites: Structure and Dioxygen Reactivity of de Novo Due Ferri Proteins. Biochemistry 54:4637-51
Polizzi, Nicholas F; Migliore, Agostino; Therien, Michael J et al. (2015) Defusing redox bombs? Proc Natl Acad Sci U S A 112:10821-2
Migliore, Agostino; Polizzi, Nicholas F; Therien, Michael J et al. (2014) Biochemistry and theory of proton-coupled electron transfer. Chem Rev 114:3381-465
Fry, H Christopher; Lehmann, Andreas; Sinks, Louise E et al. (2013) Computational de novo design and characterization of a protein that selectively binds a highly hyperpolarizable abiological chromophore. J Am Chem Soc 135:13914-26
Brancolini, Giorgia; Migliore, Agostino; Corni, Stefano et al. (2013) Dynamical treatment of charge transfer through duplex nucleic acids containing modified adenines. ACS Nano 7:9396-406
Koo, Jaseung; Park, Jaehong; Tronin, Andrey et al. (2012) Acentric 2-D ensembles of D-br-A electron-transfer chromophores via vectorial orientation within amphiphilic n-helix bundle peptides for photovoltaic device applications. Langmuir 28:3227-38

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