Cowden Adam M, Whittock Abigail L, Holt Emily L, Stavros Vasilios G, Wills Martin
Department of Chemistry, University of Warwick Coventry CV4 7AL UK
Molecular Analytical Science Centre for Doctoral Training, Senate House, University of Warwick Coventry CV4 7AL UK.
RSC Adv. 2023 Jun 7;13(25):17017-17027. doi: 10.1039/d3ra02252h. eCollection 2023 Jun 5.
Avobenzone and octocrylene are popular sunscreen active ingredients. Experiments that probe the stability of avobenzone in binary mixtures with octocrylene are presented, together with the synthesis of a class of novel composite sunscreens that were designed by covalently linking avobenzone and octocrylene groups. Spectroscopy, both steady-state and time-resolved, of the fused molecules was performed to investigate the stability of the new molecules and their potential function as ultraviolet filters. Computational results are detailed for truncated versions of a subset of the molecules to reveal the energy states underlying the absorption processes of this new class of sunscreen. The results indicate that the combination of elements of the two sunscreen molecules into one molecule creates a derivative with good stability to UV light in ethanol and in which the main degradation pathway of the avobenzone component in acetonitrile is reduced. Derivatives containing -chloro substituents are particularly stable to UV light.
阿伏苯宗和二乙氨羟苯甲酰基三嗪是常用的防晒活性成分。本文展示了探究阿伏苯宗与二乙氨羟苯甲酰基三嗪二元混合物稳定性的实验，以及一类通过将阿伏苯宗和二乙氨羟苯甲酰基三嗪基团共价连接而设计的新型复合防晒霜的合成。对融合分子进行了稳态和时间分辨光谱分析，以研究新分子的稳定性及其作为紫外线滤光剂的潜在功能。详细给出了部分分子截断形式的计算结果，以揭示这类新型防晒霜吸收过程背后的能量状态。结果表明，将两种防晒分子的元素组合成一个分子会产生一种在乙醇中对紫外线具有良好稳定性的衍生物，并且在乙腈中阿伏苯宗成分的主要降解途径减少。含有氯取代基的衍生物对紫外线特别稳定。
