Mechanisms for ultrafast nonradiative relaxation in electronically excited eumelanin constituents

Biophys J. 2008 Nov 1;95(9):4396-402. doi: 10.1529/biophysj.108.135756. Epub 2008 Aug 1.

Abstract

We investigate the relaxation dynamics of melanin model constituents including monomers, dimers, and tetramers, upon excitation, using state-of-the-art, time-dependent, density functional theory calculations. The results explain the ability of these molecules to transform photon energy into thermal energy in a remarkably short timescale of approximately 100 fs. We find that after electronic excitation by light absorption, ultrafast energy conversion takes place through two novel mechanisms: proton transfer on a timescale of 110 fs and state mixing upon oligomerization on a timescale of <50 fs. These results are in good agreement with available experiments and help elucidate melanin's role in photoprotection against ultraviolet radiation.

Publication types

  • Research Support, Non-U.S. Gov't
  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Dimerization
  • Electrons*
  • Indoles / chemistry
  • Melanins / chemistry*
  • Melanins / metabolism
  • Optics and Photonics
  • Protons
  • Quantum Theory
  • Time Factors

Substances

  • Indoles
  • Melanins
  • Protons
  • eumelanin
  • indole