Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, C. U. P.O. Box 70-360, Coyoacán, 04510 México, D. F., Mexico.
Molecules. 2012 Jan 20;17(1):1039-54. doi: 10.3390/molecules17011039.
In this Density Functional Theory study, it became apparent that astaxanthin (ASTA) may form metal ion complexes with metal cations such as Ca⁺², Cu⁺², Pb⁺², Zn⁺², Cd⁺² and Hg⁺². The presence of metal cations induces changes in the maximum absorption bands which are red shifted in all cases. Therefore, in the case of compounds where metal ions are interacting with ASTA, they are redder in color. Moreover, the antiradical capacity of some ASTA-metal cationic complexes was studied by assessing their vertical ionization energy and vertical electron affinity, reaching the conclusion that metal complexes are slightly better electron donors and better electron acceptors than ASTA.
在这项密度泛函理论研究中,很明显虾青素 (ASTA) 可能与钙⁺²、铜⁺²、铅⁺²、锌⁺²、镉⁺²和汞⁺²等金属阳离子形成金属离子配合物。金属阳离子的存在会导致最大吸收带发生变化,所有情况下都发生红移。因此,在金属离子与 ASTA 相互作用的化合物中,它们的颜色更红。此外,通过评估一些 ASTA-金属阳离子配合物的垂直电离能和垂直电子亲合能来研究它们的抗氧化能力,得出的结论是金属配合物比 ASTA 略好的电子供体和更好的电子受体。