Tuning of Absorption Wavelength of Retinal Studied by Time-Dependent Density Functional Theory,Bulletin of the Korean Chemical Society

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Tuning of Absorption Wavelength of Retinal Studied by Time-Dependent Density Functional Theory
Bulletin of the Korean Chemical Society ( IF 2.3 ) Pub Date : 2021-06-14 , DOI: 10.1002/bkcs.12340
Myung Won Lee ₁

Affiliation

Retinal bound to protein is a chromophore whose absorption wavelength changes considerably depending on the protein environment. It is the key component for animal vision and plays an important role in converting light to metabolic energy in certain microorganisms. In the present study, we used time-dependent density functional theory to compute the absorption wavelength of all-trans-retinal in the form of protonated Schiff base under various conditions and show that electrostatic interactions are important in color-tuning, while structural change also affects the absorption wavelength to some extent.

中文翻译：

时变密度泛函理论研究视网膜吸收波长的调节

与蛋白质结合的视网膜是一种发色团，其吸收波长会根据蛋白质环境发生很大变化。它是动物视觉的关键组成部分，在某些微生物中将光转化为代谢能方面起着重要作用。在本研究中，我们使用时间相关的密度泛函理论计算了质子化希夫碱形式的全反式视黄醛在各种条件下的吸收波长，并表明静电相互作用在颜色调节中很重要，而结构变化也一定程度上影响吸收波长。

更新日期：2021-08-19

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