Molecular Design of the Low Toxic Antioxidants with Fused Heterocyclic Ring

在化学工业中，为了保持产品的质量，自氧化是一种不希望发生的反应，因为它会引起材料和化学品的变质。此外，在化学工业中，抑制自由基聚合对于防止不饱和单体（如乙烯基化合物）在制造、储存和运输过程中发生不必要的聚合非常重要。本研究通过对新型生育酚模型化合物9h -黄嘌呤-2,7-二醇的抗氧化活性、9h -黄嘌呤-2,7-二醇与抗坏血酸的协同作用以及脂质体的研究，阐明其工业适用性。此外，用半经验分子轨道法计算了吩噻嗪类和咔唑类的键解离能，并描述了它们在水分散体中四萘林和亚油酸胶束自氧化中的抗氧化活性。

Autoxidation is an undesirable reaction for preserving the quality of products in the chemical industry as it induces the deterioration of materials and chemicals. Furthermore, the inhibition of radical polymerization is very important in the chemical industry to prevent unwanted polymerization during the manufacture, storage and transportation of unsaturated monomers such as vinyl compounds.In this research, the antioxidant activities of new tocopherol model compounds, 9H-xanthene-2,7-diols, as well as the synergistic effect of 9H-xanthene-2,7-diols and ascorbic acid, and liposomes to elucidate their industrial suitability.Furthermore, the antioxidant activities of phenothiazines and carbazoles in the autoxidation of tetralin and linoleic acid micelle in aqueous dispersions are described in connection with their bond dissociation energies calculated using the semiempirical molecular orbital method.