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First‐principles simulations of two photon absorption spectra of dynamic structural chromophores in green fluorescent protein
Authors:M ‐Y Zhang  J ‐Y Wang  C ‐S Lin  W ‐D Cheng
Institution:State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, China
Abstract:The bridge photoisomerization of the chromophores of fluorescent proteins has been suggested as the possible mechanism of radiationless decay in fluorescent proteins. It indicates that this internal structure changing of chromophores great influence the optical properties of fluorescent proteins. The two‐photon absorption (TPA) properties of fluorescent proteins might also be influenced by the bridge photoisomerization of the chromophores. In this work, we simulate the dynamic conformations through rotating the bridge bond of chromophore of green fluorescent protein, and employ the time dependent density functional theory combining with the sum‐over‐states method to study their TPA characters. With our study, we find that the TPA characters of chromophore will be improved through controlling rotation of the bridge bond of chromophore. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Keywords:fluorescent proteins  TPA cross section  photoisomerization  Cis‐trans isomerization
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