Abstract：
The growing interest in the cosmetic industry in using compounds of natural and sustainable origin that are safe for humans is encouraging the development of processes that can satisfy these needs. Chlorogenic acid (CHA), caffeic acid (CAF) and ferulic acid (FA) are three compounds widely used within the cosmetic industry due to their functionalities as antioxidants, collagen modifiers or even as radiation protectors. In this work, two advanced separation techniques with supercritical CO2 are used to obtain these three compounds from Calendula officinalis, and these are then evaluated using a computational skin permeability model. This model is encompassed by the COSMO-RS model, the calculations of which make it possible to study the behaviour of the compounds in the epidermis. The results show that both CAF and FA are retained in the stratum corneum, while CHA manages to penetrate to the stratum spinosum. These compounds were concentrated by antisolvent fractionation with super-critical CO2 using a Response Surface Methodology to study the effect of pressure and CO2 flow rate. CHA, CAF and FA were completely retained in the precipitation vessel, with concentrations between 40% and 70% greater than in the original extract. The conditions predicted that the optimal overall yield and enrichment achieved would be 153 bar and 42 g/min.
摘要：
化妆品工业对使用对人类安全的天然和可持续来源的化合物越来越感兴趣，这鼓励了可以满足这些需求的方法的开发。绿原酸(CHA),咖啡酸（CAF）和阿魏酸（FA）是化妆品工业中广泛使用的三种化合物，因为它们具有抗氧化剂的功能，胶原蛋白改性剂甚至作为辐射防护剂。在这项工作中,采用两种先进的超临界CO2分离技术从金盏花中获得这三种化合物，然后使用计算皮肤渗透率模型对其进行评估。该模型包含在COSMO-RS模型中，其计算使得研究化合物在表皮中的行为成为可能。结果表明，CAF和FA都保留在角质层中，而CHA设法渗透到棘层。使用响应面方法通过用超临界CO2进行反溶剂分馏来浓缩这些化合物，以研究压力和CO2流速的影响。CHA,CAF和FA完全保留在沉淀容器中，浓度比原始提取物高40％至70％。该条件预测实现的最佳总收率和富集将是153巴和42g/min。
