Browsing by Author "Skourtis, Spiros S."
Now showing items 21-40 of 54
-
Conference Object
Flavin charge transfer transitions assist DNA photolyase electron transfer
Skourtis, Spiros S.; Prytkova, T.; Beratan, David N. (2007)This contribution describes molecular dynamics, semi-empirical and ab-initio studies of the primary photo-induced electron transfer reaction in DNA photolyase. DNA photolyases are FADH--containing proteins that repair ...
-
Article
Floquet analysis for vibronically modulated electron tunneling
Carias, H.; Beratan, David N.; Skourtis, Spiros S. (2011)Electron tunneling provides the primary reaction channel for electron transfer (ET) in many molecular systems. The analysis of such systems therefore requires the consideration of electronic coherence and interference ...
-
Article
Fluctuations in biological and bioinspired electron-transfer reactions
Skourtis, Spiros S.; Waldeck, D. H.; Beratan, David N. (2010)Central to theories of electron transfer (ET) is the idea that nuclear motion generates a transition state that enables electron flow to proceed, but nuclear motion also induces fluctuations in the donor-acceptor (DA) ...
-
Article
Fragment orbital based description of charge transfer in peptides including backbone orbitals
Heck, A.; Woiczikowski, P. B.; Kubař, T.; Welke, K.; Niehaus, T.; Giese, B.; Skourtis, Spiros S.; Elstner, M.; Steinbrecher, T. B. (2014)Charge transfer in peptides and proteins can occur on different pathways, depending on the energetic landscape as well as the coupling between the involved orbitals. Since details of the mechanism and pathways are difficult ...
-
Article
Guest editorial: Electron transfer
Skourtis, Spiros S.; Beratan, David N. (2006)
-
Article
High and low resolution theories of protein electron transfer
Skourtis, Spiros S.; Beratan, David N. (1997)Protein-mediated electronic interactions facilitate biological electron transfer (ET) reactions. Theory and experiment are being used extensively to establish atomic-scale descriptions of these reactions. The last 20 years ...
-
Article
Inelastic electron tunneling erases coupling-pathway interferences
Skourtis, Spiros S.; Waldeck, D. H.; Beratan, David N. (2004)Theoretical analysis of nonadiabatic electron-transfer reactions in molecules usually assumes that electron amplitude propagates coherently from the reductant to the oxidant via covalent and noncovalent coupling pathways. ...
-
Article
Long-range charge transport in single G-quadruplex DNA molecules
Livshits, G. I.; Stern, A.; Rotem, D.; Borovok, N.; Eidelshtein, G.; Migliore, A.; Penzo, E.; Wind, S. J.; Di Felice, R.; Skourtis, Spiros S.; Cuevas, J. C.; Gurevich, L.; Kotlyar, A. B.; Porath, D. (2014)DNA and DNA-based polymers are of interest in molecular electronics because of their versatile and programmable structures. However, transport measurements have produced a range of seemingly contradictory results due to ...
-
Article
A method to analyze multi-pathway effects on protein mediated donor-acceptor coupling interactions
Skourtis, Spiros S.; Onuchic, J. N.; Beratan, David N. (1996)Current strategies for analyzing donor-acceptor interactions involve mapping the dominant coupling pathways or families of pathways, followed by a numerical estimate of the interaction mediated by the paths. This strategy ...
-
Article
Modulating unimolecular charge transfer by exciting bridge vibrations
Lin, Z.; Lawrence, C. M.; Xiao, D.; Kireev, V. V.; Skourtis, Spiros S.; Sessler, J. L.; Beratan, David N.; Rubtsov, I. V. (2009)(Figure Presented) Ultrafast UV-vibrational spectroscopy was used to investigate how vibrational excitation of the bridge changes photoinduced electron transfer between donor (dimethylaniline) and acceptor (anthracene) ...
-
Conference Object
A molecular double slit paradigm
Skourtis, Spiros S.; Beratan, David N. (2007)This contribution describes a simple model of a molecular interferometer. We consider an electron transfer molecule consisting of electron-donating and electron-acceptor parts that are connected by a bridge. The bridge ...
-
Article
A new look at the primary charge separation in bacterial photosynthesis
Skourtis, Spiros S.; Da Silva, A. J. R.; Bialek, W.; Onuchic, J. N. (1992)A theory for the primary charge separation in photosynthetic bacteria is presented. We propose that this reaction may lie in a regime that is different from the traditional nonadiabatic (golden rule) regime. In the context ...
-
Article
Pathways, pathway tubes, pathway docking, and propagators in electron transfer proteins
Curry, W. B.; Grabe, M. D.; Kurnikov, I. V.; Skourtis, Spiros S.; Beratan, David N.; Regan, J. J.; Aquino, A. J. A.; Beroza, P.; Onuchic, J. N. (1995)The simplest views of long-range electron transfer utilize flat one-dimensional barrier tunneling models, neglecting structural details of the protein medium. The pathway model of protein electron transfer reintroduces ...
-
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 ...
-
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 ...
-
Article
Photosynthesis from the protein's perspective
Skourtis, Spiros S.; Beratan, David N. (2007)
-
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. ...
-
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 ...
-
Article
Protein electron transfer: A numerical study of tunneling through fluctuating bridges
Xie, Q.; Archontis, Georgios Z.; Skourtis, Spiros S. (1999)A central challenge of protein electron-transfer theory is to understand how the protein dynamics influences the electron tunneling from donor to acceptor. It is shown that tunneling (as a function of time) through a ...
-
Article
Review: Probing protein electron transfer mechanisms from the molecular to the cellular length scales
Skourtis, Spiros S. (2013)The mechanisms of bridge-mediated electron transfer (ET) reactions vary from coherent deep tunneling to thermally activated hopping. This short review focuses on some developments in the study of protein ET mechanisms at ...