Browsing by Author "Beratan, David N."
Now showing items 21-35 of 35
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Article
Persistence of structure over fluctuations in biological electron-transfer reactions
Balabin, I. A.; Beratan, David N.; Skourtis, Spiros S. (2008)In the soft-wet environment of biomolecular electron transfer, it is possible that structural fluctuations could wash out medium-specific electronic effects on electron tunneling rates. We show that beyond a transition ...
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Article
Photoselected electron transfer pathways in DNA photolyase
Prytkova, T. R.; Beratan, David N.; Skourtis, Spiros S. (2007)Cyclobutane dimer photolyases are proteins that bind to UV-damaged DNA containing cyclobutane pyrimidine dimer lesions. They repair these lesions by photo-induced electron transfer. The electron donor cofactor of a photolyase ...
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Article
Photosynthesis from the protein's perspective
Skourtis, Spiros S.; Beratan, David N. (2007)
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Article
Physical constraints on charge transport through bacterial nanowires
Polizzi, N. F.; Skourtis, Spiros S.; Beratan, David N. (2012)Extracellular appendages of the dissimilatory metal-reducing bacterium Shewanella oneidensis MR-1 were recently shown to sustain currents of 10 10 electrons per second over distances of 0.5 microns [El-Naggar et al., Proc. ...
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Article
Protein dynamics and electron transfer: Electronic decoherence and non-Condon effects
Skourtis, Spiros S.; Balabin, I. A.; Kawatsu, T.; Beratan, David N. (2005)We compute the autocorrelation function of the donor-acceptor tunneling matrix element 〈TDA(t)TDA(0)〉 for six Ru-azurin derivatives. Comparison of this decay time to the decay time of the time-dependent Franck-Condon factor ...
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Book Chapter
Single-and Multi-Electron Transfer Processes
Skourtis, Spiros S.; Beratan, David N. (Wiley Blackwell, 2008)
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Article
Steady-state theory of current transfer
Ben-Moshe, V.; Nitzan, A.; Skourtis, Spiros S.; Beratan, David N. (2010)Current transfer is defined as a charge-transfer process where the transferred charge carries information about its original motion. We have recently suggested that such transfer causes the asymmetry observed in electron ...
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Article
Steering electrons on moving pathways.
Beratan, David N.; Skourtis, Spiros S.; Balabin, I. A.; Balaeff, A.; Keinan, S.; Venkatramani, R.; Xiao, D. (2009)Electron transfer (ET) reactions provide a nexus among chemistry, biochemistry, and physics. These reactions underpin the "power plants" and "power grids" of bioenergetics, and they challenge us to understand how evolution ...
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Article
Structural and electronic properties of bare and capped Cd nSe n/Cd nTe n Nanoparticles (n = 6, 9)
Kuznetsov, A. E.; Balamurugan, D.; Skourtis, Spiros S.; Beratan, David N. (2012)Relationships between structures and properties (energy gaps, vertical ionization potentials (IP v), vertical electron affinities (EA v), and ligand binding energies) in small capped CdSe/CdTe nanoparticles (NPs) are poorly ...
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Article
Theories of structure-function relationships for bridge-mediated electron transfer reactions
Skourtis, Spiros S.; Beratan, David N. (1999)
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Article
Triplet excitation energy dynamics in metal-organic frameworks
Lin, J.; Hu, X.; Zhang, P.; Van Rynbach, A.; Beratan, David N.; Kent, C. A.; Mehl, B. P.; Papanikolas, J. M.; Meyer, T. J.; Lin, W.; Skourtis, Spiros S.; Constantinou, Martha G. (2013)Metal-organic frameworks (MOFs) are appealing candidates for use in energy harvesting and concentrating because of their high chromophore density and structural tunability. The ability to engineer electronic excitation ...
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Article
Turning charge transfer on and off in a molecular interferometer with vibronic pathways
Xiao, D.; Skourtis, Spiros S.; Rubtsov, I. V.; Beratan, David N. (2009)Inelastic electron-transfer kinetics in molecules with electron donor and acceptor units connected by a bridge is expected to be sensitive to bridge-localized vibronic interactions. Here, we show how inelastic electron ...
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Article
Two-Electron Transfer Pathways
Lin, J.; Balamurugan, D.; Zhang, P.; Skourtis, Spiros S.; Beratan, David N. (2015)The frontiers of electron-transfer chemistry demand that we develop theoretical frameworks to describe the delivery of multiple electrons, atoms, and ions in molecular systems. When electrons move over long distances through ...
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Article
The two-state reduction for electron and hole transfer in bridge-mediated electron-transfer reactions
Skourtis, Spiros S.; Beratan, David N.; Onuchic, J. N. (1993)We present a unified analysis of the two-state reduction in bridge-mediated electron transfer for both electron and hole transfer. The parameter that characterizes the leading error associated with a two-state reduction ...
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Article
Vibrational control of electron-transfer reactions: A feasibility study for the fast coherent transfer regime
Antoniou, Pavlos; Ma, Z.; Zhang, P.; Beratan, David N.; Skourtis, Spiros S. (2015)Molecular vibrations and electron-vibrational interactions are central to the control of biomolecular electron and energy-transfer rates. The vibrational control of molecular electron-transfer reactions by infrared pulses ...