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Title of article :
Theoretical tuning of the firefly bioluminescence spectra by the modification of oxyluciferin
Author/Authors :
Cheng، نويسنده , , Yuanyuan and Zhu، نويسنده , , Jia and Liu، نويسنده , , Ya-Jun، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2014
Pages :
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Abstract :
Extending the firefly bioluminescence is of practical significance for the improved visualization of living cells and the development of a multicolor reporter. Tuning the color of bioluminescence in fireflies mainly involves the modification of luciferase and luciferin. In this Letter, we theoretically studied the emission spectra of 9 firefly oxyluciferin analogs in the gas phase and in solutions. Three density functionals, including B3LYP, CAM-B3LYP and M06-2X, were employed to theoretically predict the efficiently luminescent analogs. The reliable functionals for calculating the targeted systems were suggested. The luminescence efficiency, solvent effects, and substituent effects are discussed based on the calculated results.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters
Serial Year :
Link To Document :