Energy transport in a short helical peptide in chloroform solution is studied by time-resolved femtosecond spectroscopy and accompanying nonequilibrium molecular dynamics (MD) simulations. In particular, the heat transport after excitation of an azobenzene chromophore attached to one terminus of the helix with 3 eV (UV) photons is compared to the excitation of a peptide C=O oscillator with 0.2 eV (IR) photons. The heat in the helix is detected at various distances from the heat source as a function of time by employing vibrational pump-probe spectroscopy. As a result, the carbonyl oscillators at different positions along the helix act as local thermometers.

Energy transport in peptide helices: A comparison between high- and low-energy excitations

MORETTO, ALESSANDRO;TONIOLO, CLAUDIO;
2008

Abstract

Energy transport in a short helical peptide in chloroform solution is studied by time-resolved femtosecond spectroscopy and accompanying nonequilibrium molecular dynamics (MD) simulations. In particular, the heat transport after excitation of an azobenzene chromophore attached to one terminus of the helix with 3 eV (UV) photons is compared to the excitation of a peptide C=O oscillator with 0.2 eV (IR) photons. The heat in the helix is detected at various distances from the heat source as a function of time by employing vibrational pump-probe spectroscopy. As a result, the carbonyl oscillators at different positions along the helix act as local thermometers.
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11577/2452620
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