Yu, Mohan; Liu, Ya-Jun published the artcile< Same Luciferin in Different Luciferases Emitting Different-Color Light. A Theoretical Study on Beetle Bioluminescence>, Electric Literature of 2591-17-5, the main research area is luciferase bioluminescence luciferin Phrixotrix.
Bioluminescent beetles, firefly, click beetle, and railroad worm, naturally emit different-color light via the identical luciferin and bioluminescence (BL) mechanisms. Railroad worm especially emits two colors of light in its dorsal-lateral and cephalic lanterns. Four computational models of bioluminophore (oLu) in luciferases of red-emitting, yellow-green-emitting, red-emitting with addnl. loop, and red-emitting without C-terminal were built in this paper. To unveil the details of this luciferase effect at the mol. and electronic-state levels, second-order multiconfigurational perturbation calculations were performed following mol. dynamic simulations and time-dependent d. functional calculations for the above four oLu-luciferase systems. Via a systematic anal. on properties of oLu at the first singlet state (S1-oLu) in different luciferases, one clearly see the details of the microenvironment and secondary structure of luciferase affecting the excited-state property of S1-oLu, which ultimately result in the variant color of light emission. Typically, the increase in charge transfer of S1-oLu leads to the longer wavelength BL.
Journal of Chemical Theory and Computation published new progress about Bioluminescence. 2591-17-5 belongs to class thiazole, and the molecular formula is C11H8N2O3S2, Electric Literature of 2591-17-5.
Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica