Bellumori Maria, Pallecchi Marco, Zonfrillo Beatrice, Lucio Luigi, Menicatti Marta, Innocenti Marzia, Mulinacci Nadia, Bartolucci Gianluca
NEUROFARBA Department, Section of Pharmaceutical and Nutraceutical Sciences, University of Florence, Via U. Schiff 6, Sesto Fiorentino, 50019 Firenze, Italy.
Pharmaceuticals (Basel). 2023 Sep 28;16(10):1375. doi: 10.3390/ph16101375.
Chlorogenic acids, the esters of caffeic and quinic acids, are the main phenolic acids detected in extracts and have gained increasing interest in recent years due to their important biological activities. Given their structural similarity and instability, the correct analysis and identification of these compounds in plants is challenging. This study aimed to propose a simple and rapid determination of the caffeoylquinic isomers, applying an HPLC-MS/MS method supported by a mathematical algorithm (Linear Equation of Deconvolution Analysis (LEDA)). The three mono- and the three di-caffeoylquinic acids in roots of plants were studied by an ion trap MS analyzer. A separation by a conventional chromatographic method was firstly performed and an MS/MS characterization by energetic dimension of collision-induced dissociation mechanism was carried out. The analyses were then replicated using a short HPLC column and a fast elution gradient (ten minutes). Each acquired MS/MS data were processed by LEDA algorithm which allowed to assign a relative abundance in the reference ion signal to each isomer present. Quantitative results showed no significant differences between the two chromatographic systems proposed, proving that the use of LEDA algorithm allowed the distinction of the six isomers in a quarter of the time.
绿原酸是咖啡酸和奎尼酸的酯类，是提取物中检测到的主要酚酸，近年来因其重要的生物活性而受到越来越多的关注。鉴于它们的结构相似性和不稳定性，在植物中对这些化合物进行正确的分析和鉴定具有挑战性。本研究旨在提出一种简单快速的咖啡酰奎尼酸异构体测定方法，应用由数学算法（去卷积分析线性方程（LEDA））支持的高效液相色谱-串联质谱（HPLC-MS/MS）方法。通过离子阱质谱分析仪研究了植物根中的三种单咖啡酰奎尼酸和三种二咖啡酰奎尼酸。首先采用传统色谱方法进行分离，并通过碰撞诱导解离机制的能量维度进行串联质谱表征。然后使用短HPLC柱和快速洗脱梯度（10分钟）重复分析。每个采集的串联质谱数据均通过LEDA算法进行处理，该算法允许为存在的每种异构体在参考离子信号中分配相对丰度。定量结果表明，所提出的两种色谱系统之间没有显著差异，证明使用LEDA算法可以在四分之一的时间内区分这六种异构体。
