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Time Resolved Photoelectron Spectroscopy of Thioflavin T Photoisomerization: A Simulation Study

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journal contribution
posted on 25.07.2013, 00:00 authored by Hao Ren, Benjamin P. Fingerhut, Shaul Mukamel
The excited state isomerization of thioflavin T (ThT) is responsible for the quenching of its fluorescence in a nonrestricted environment. The fluorescence quantum yield increases substantially upon binding to amyloid fibers. Simulations reveal that the variation of the twisting angle between benzothiazole and benzene groups (ϕ1) is responsible for the subpicosecond fluorescence quenching. The evolution of the twisting process can be directly probed by photoelectron emission with energies ε ≥ 1.0 eV before the molecule reaches the ϕ1-twisted configuration (∼300 fs).

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