Shandong Provincial Research Center for Bioinformatic Engineering and Technique, Shandong University of Technology, Zibo 255049, China; E-Mail:
Int J Mol Sci. 2010 Nov 10;11(11):4506-10. doi: 10.3390/ijms11114506.
Deinoxanthin (DX) is a unique carotenoid synthesized by Deinococcus radiodurans, one of the most radioresistant organisms known. In comparison with other carotenoids, DX was proven to exhibit significantly stronger reactive oxygen species (ROS)-scavenging activity, which plays an important role in the radioresistance of D. radiodurans. In this work, to gain deeper insights into the strong antioxidant activity of DX, the parameters characterizing ROS-scavenging potential were calculated by means of quantum chemical calculations. It was found that DX possesses lower lowest triplet excitation energy for its unique structure than other carotenoids, such as β-carotene and zeaxanthin, which endows DX strong potential in the energy transfer-based ROS-scavenging process. Moreover, the H-atom donating potential of DX is similar to zeaxanthin according to the theoretical homolytic O-H bond dissociation enthalpy. Thus, the large number of conjugated double bonds should be crucial for its strong antioxidant activity.
脱氮黄质（DX）是一种独特的类胡萝卜素，由耐辐射球菌合成，耐辐射球菌是已知的最具辐射抗性的生物之一。与其他类胡萝卜素相比，DX 被证明具有更强的活性氧（ROS）清除活性，这在耐辐射球菌的辐射抗性中起着重要作用。在这项工作中，为了更深入地了解 DX 的强抗氧化活性，通过量子化学计算计算了表征 ROS 清除潜力的参数。结果发现，由于其独特的结构，DX 具有比其他类胡萝卜素（如β-胡萝卜素和玉米黄质）更低的最低三重态激发能，这赋予了 DX 在基于能量转移的 ROS 清除过程中的强大潜力。此外，根据理论均裂 O-H 键离解焓，DX 的 H 原子供体潜力与玉米黄质相似。因此，大量的共轭双键对于其强抗氧化活性至关重要。
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