Analysis of Oxyluciferin Photoluminescence Pathways in Aqueous Solutions
Analysis of Oxyluciferin Photoluminescence Pathways in Aqueous Solutions
复制标题
DOI：
10.1111/php.12370
复制
发表时间：
2015
影响因子：
3.3
通讯作者：
Miyabi Hiyama;T. Mochizuki;H. Akiyama;N. Koga
中科院分区：
文献类型：
--
作者：
Miyabi Hiyama;T. Mochizuki;H. Akiyama;N. Koga
我们从理论上估算了姜黄素及其共轭酸和共轭碱的pKa值，并结合实验校正值估算了所有物种的第一激发态和基态自由能。在这些结果的基础上，我们计算了pH依赖的吸收光谱，其中各种物质的相对吸收强度强烈地依赖于光激发能量，并且我们进一步分析了不同pH的水溶液中姜黄素的光致发光途径。特别是在350 nm光激发的情况下，实验表明，主要的发射颜色是绿色，并且随着pH的降低而衰减，而蓝色（3 < pH < 8）和红色（pH < 3）发光出现。我们目前的研究结果澄清了这些光致发光的途径取决于pH值，因此应是有用的，在进一步分析的光致发光途径与实验相比，其他光激发波长。
We evaluated the pKa values of oxyluciferin and its conjugate acids and bases theoretically with the help of experimental correction values, from which free energies for the first excited and the ground states of all the species were estimated. On the basis of these results, we calculated pH‐dependent absorption spectra, where the relative absorption intensities of various species strongly depend on photoexcitation energy, and we further analyzed the photoluminescence pathways of oxyluciferin in aqueous solutions with various pH. In the case of 350 nm photoexcitation, in particular, experiments have shown that dominant emission color is green and it attenuates with pH decreasing, while blue (3 < pH < 8) and red (pH < 3) emissions appear. Our present results clarify the pathways of these photoluminescence depending on the pH values and thus should be useful in further analyses of photoluminescence pathways for other photoexcitation wavelength in comparison with experiments.