Browsing by Subject "Models, Theoretical"

Now showing items 1-6 of 6

    • 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  

      Island species richness increases with habitat diversity 

      Hortal, J.; Triantis, Kostas A.; Meiri, S.; Thébault, E.; Sfenthourakis, Spyros (2009)
      Species richness is commonly thought to increase with habitat diversity. However, a recent theoretical model aiming to unify niche and island biogeography theories predicted a hump-shaped relationship between richness and ...
    • 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  

      Prediction of blood:air and fat:Air partition coefficients of volatile organic compounds for the interpretation of data in breath gas analysis 

      Kramer, C.; Mochalski, Paweł; Unterkofler, K.; Agapiou, Agapios; Ruzsanyi, V.; Liedl, K. R. (2016)
      In this article, a database of blood:air and fat:air partition coefficients (λ b:a and λ f:a) is reported for estimating 1678 volatile organic compounds recently reported to appear in the volatilome of the healthy human. ...
    • Article  

      The trapped human experiment 

      Huo, R.; Agapiou, Agapios; Bocos-Bintintan, V.; Brown, L. J.; Burns, C.; Creaser, C. S.; Devenport, N. A.; Gao-Lau, B.; Guallar-Hoyas, C.; Hildebrand, L.; Malkar, A.; Martin, H. J.; Moll, V. H.; Patel, P.; Ratiu, A.; Reynolds, J. C.; Sielemann, S.; Slodzynski, R.; Statheropoulos, Miltiades K.; Turner, M. A.; Vautz, W.; Wright, V. E.; Thomas, Charles Lawrence Paul (2011)
      This experiment observed the evolution of metabolite plumes from a human trapped in a simulation of a collapsed building. Ten participants took it in turns over five days to lie in a simulation of a collapsed building and ...
    • 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 ...