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首页> 外文期刊>International Journal of Quantum Chemistry >Illuminating the origins of two-photon absorption properties in fluorescent protein chromophores
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Illuminating the origins of two-photon absorption properties in fluorescent protein chromophores

机译：在荧光蛋白发色团中照射双光子吸收性能的起源

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摘要

We provide here a structural impact on two-photon absorption cross-section (sigma(TPA)) for 22 distinct fluorescent protein (FP) chromophores. By employing time-dependent density functional theory, we gain insight into two-photon absorption (TPA) process by investigating relationship between sigma(TPA) and one-photon electronic transition dipole moment and permanent dipole moment change (Delta mu) upon transition. Our results reveal that for the S-1 excited state, sigma(TPA) is proportional to (Delta mu)(2) in agreement with two-state model of TPA process. On the contrary, the TPA spectroscopy of higher excited states (S-n, n > 1) is much more complex. We do not find a main driving force of large sigma(TPA) that would be common for investigated chromophores. Instead, it seems that channel interference between one-photon transition dipole moment vectors is responsible for enhancement or diminishment of sigma(TPA). Our in vacuo results may serve as a benchmark to investigate a role of chromophore-protein interaction in shaping TPA spectra of FPs.
机译：我们在此提供对22种不同荧光蛋白（FP）发色团的两光节吸收横截面（Sigma（TPA））的结构影响。通过采用时间依赖的密度功能理论，我们通过研究Σ（TPA）和单光子电子转变偶极矩和永久偶极力矩变化（Delta Mu）在转变时研究了对双光子吸收（TPA）过程进行了洞察。我们的研究结果表明，对于S-1激发州，Sigma（TPA）与（Delta Mu）（2）与TPA过程的两种模型成正比。相反，高兴奋状态的TPA光谱（S-N，N> 1）更复杂。我们没有找到大型Sigma（TPA）的主要动力，这对于调查的发色团是常见的。相反，似乎单光子转变偶极矩矩向之间的沟道干扰负责σ（TPA）的增强或递减。我们的真空结果可以作为研究Chromophore-蛋白相互作用在FPS成型TPA光谱中的作用的基准。

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