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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D3
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Light-Activated Molecular Conductivity in the Photoreactions of Vitamin D3

机译:维生素D3光反应中的光活化分子电导率

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摘要

In this theoretical—experimental approach, we show using ab initio calculations behavior consistent with the activation of 7-dehydrocholesterol, provitamin D_3, as an initial reactant toward ultraviolet-activated reactions of vitamin D_3. We find using molecular orbital theory that a conformation between the provitamin and the vitamin shows higher conductance than those of the reactant and product. We also find experimental evidence of this electrical character by directly measuring current—voltage characteristics on irradiated and nonirradiated samples of the provitamin. The activation of the provitamin D_3 is characterized with an increase in current during the irradiation.
机译:在这种理论-实验方法中,我们显示了从头算的行为,该行为与7-脱氢胆固醇,维生素原D_3的活化一致,作为维生素D_3紫外线活化反应的初始反应物。我们使用分子轨道理论发现,维生素原和维生素之间的构象比反应物和产物具有更高的电导率。我们还可以通过直接测量维生素原素的辐照和非辐照样品上的电流-电压特性来找到该电气特性的实验证据。原维生素D_3的活化的特征在于照射期间电流的增加。

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