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Ultrafast Nonadiabatic Photoisomerization Dynamics Mechanism for the UV Photoprotection of Stilbenoids in Grape Skin.
Chemistry - An Asian Journal ( IF 3.5 ) Pub Date : 2020-04-02 , DOI: 10.1002/asia.202000219 Yanan Shi 1 , Xiaoying Zhao 1 , Chao Wang 1 , Ye Wang 2 , Song Zhang 2 , Peng Li 3 , Xia Feng 1 , Bing Jin 2 , Minghu Yuan 2 , Shen Cui 1 , Yan Sun 1 , Bing Zhang 2 , Shuqing Sun 1 , Xiaoning Jin 1 , Haiyuan Wang 1 , Guangjiu Zhao 1
Chemistry - An Asian Journal ( IF 3.5 ) Pub Date : 2020-04-02 , DOI: 10.1002/asia.202000219 Yanan Shi 1 , Xiaoying Zhao 1 , Chao Wang 1 , Ye Wang 2 , Song Zhang 2 , Peng Li 3 , Xia Feng 1 , Bing Jin 2 , Minghu Yuan 2 , Shen Cui 1 , Yan Sun 1 , Bing Zhang 2 , Shuqing Sun 1 , Xiaoning Jin 1 , Haiyuan Wang 1 , Guangjiu Zhao 1
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Natural UV photoprotection plays a vital role in physiological protection. It has been reported that UVC radiation can make resveratrol (RSV) and piceatannol (PIC) accumulate in grape skin. In this work, we demonstrated that RSV and PIC could significantly absorb UVA and UVB, and confirmed their satisfactory photostability. Furthermore, we clarified the UV photoprotection mechanism of typical stilbenoids of RSV and PIC for the first time by using combined femtosecond transient absorption (FTA) spectroscopy and time-dependent density functional theory (TD-DFT) calculations. RSV and PIC can be photoexcited to the excited state after UVA and UVB absorption. Subsequently, the photoisomerized RSV and PIC quickly relax to the ground state via nonadiabatic transition from the S1 state at a conical intersection (CI) position between potential energy surfaces (PESs) of S1 and S0 states. This ultrafast trans-cis photoisomerization will take place within a few tens of picoseconds. As a result, the UV energy absorbed by RSV and PIC could be dissipated by an ultrafast nonadiabatic photoisomerization process.
中文翻译：
葡萄皮中类胡萝卜素的紫外线光保护的超快非绝热光异构动力学机制。
天然的紫外线光保护作用在生理保护中起着至关重要的作用。据报道，UVC辐射可使白藜芦醇（RSV）和Piceatannol（PIC）积累在葡萄皮中。在这项工作中，我们证明了RSV和PIC可以显着吸收UVA和UVB，并证实了它们令人满意的光稳定性。此外，我们首次结合飞秒瞬态吸收（FTA）光谱和时变密度泛函理论（TD-DFT）计算，首次阐明了RSV和PIC的典型类胡萝卜素的紫外光保护机理。在吸收UVA和UVB之后，RSV和PIC可以被光激发到激发态。后来，光异构化的RSV和PIC通过S1和S0势能面（PESs）之间的圆锥形交点（CI）位置从S1状态发生非绝热跃迁，迅速弛豫到基态。这种超快速的反式顺式光异构化将在几十皮秒内发生。结果，RSV和PIC吸收的紫外线能量可以通过超快的非绝热光异构化过程消散。
更新日期：2020-04-02
中文翻译：
葡萄皮中类胡萝卜素的紫外线光保护的超快非绝热光异构动力学机制。
天然的紫外线光保护作用在生理保护中起着至关重要的作用。据报道，UVC辐射可使白藜芦醇（RSV）和Piceatannol（PIC）积累在葡萄皮中。在这项工作中，我们证明了RSV和PIC可以显着吸收UVA和UVB，并证实了它们令人满意的光稳定性。此外，我们首次结合飞秒瞬态吸收（FTA）光谱和时变密度泛函理论（TD-DFT）计算，首次阐明了RSV和PIC的典型类胡萝卜素的紫外光保护机理。在吸收UVA和UVB之后，RSV和PIC可以被光激发到激发态。后来，光异构化的RSV和PIC通过S1和S0势能面（PESs）之间的圆锥形交点（CI）位置从S1状态发生非绝热跃迁，迅速弛豫到基态。这种超快速的反式顺式光异构化将在几十皮秒内发生。结果，RSV和PIC吸收的紫外线能量可以通过超快的非绝热光异构化过程消散。
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