Lau Cher Haan, Chua Lee Suan
Institute of Bioproduct Development, Universiti Teknologi Malaysia, 81310 Skudai, Malaysia.
Department of Bioprocess and Polymer Engineering, School of Chemical and Energy Engineering, Faculty of Engineering, Universiti Teknologi Malaysia, 81310 Skudai, Malaysia.
Methods Protoc. 2019 Jul 27;2(3):64. doi: 10.3390/mps2030064.
This study was aimed to extract rosmarinic acid from Benth. () in high yield. The mixture of chloroform-ethyl acetate (70:30) was chosen as the solvent system because rosmarinic acid gave the lowest solvation free energy in that solvent system based on the computational solubility prediction. The crude extract of the plant was fractionated by C18 reversed phase absorbent to recover rosmarinic acid. The content of rosmarinic acid was increased from 4.0% / to 6.7% / after fractionation. The radical scavenging activity of rosmarinic acid rich fraction (IC = 38.3 μg/mL) was higher than the crude extract (IC = 58.85 μg/mL) based on the DPPH assay. Several phytochemicals were also identified based on the detection of fragment ions of target compounds. Fractions 1 to 3 could be combined to be a rosmarinic acid rich fraction. Simultaneously, the combination of fractions 4 to 6 could obtain a plant fraction rich in rosmarinic acid, sinensetin and eupatorin, whereas fractions 7 to 9 could be combined as a sinensetin rich fraction. The preparation of known phytochemical profile of fraction is highly required for value added product formulation and pharmacological studies, particularly for anti-diabetes and kidney related diseases which had previously been reported attributed to this herbal plant. This is the first study using solvation free energy to predict the suitable solvent system for rosmarinic acid extraction from highly complex herbal sample using the technology of solid phase extraction. The use of solvation free energy simulation is convenient and reliable before wet experiments for time and cost saving.
本研究旨在高产率地从[植物名称]中提取迷迭香酸。基于计算溶解度预测，选择氯仿 - 乙酸乙酯（70:30）的混合物作为溶剂体系，因为迷迭香酸在该溶剂体系中的溶剂化自由能最低。通过C18反相吸附剂对植物粗提物进行分馏以回收迷迭香酸。分馏后迷迭香酸的含量从4.0% / 提高到了6.7% / 。基于DPPH测定，富含迷迭香酸的馏分（IC = 38.3 μg/mL）的自由基清除活性高于粗提物（IC = 58.85 μg/mL）。还基于目标化合物碎片离子的检测鉴定了几种植物化学物质。馏分1至3可合并为富含迷迭香酸的馏分。同时，馏分4至6的组合可得到富含迷迭香酸、橙皮素和泽兰苦内酯的植物馏分，而馏分7至9可合并为富含橙皮素的馏分。对于增值产品配方和药理研究，特别是对于先前报道的归因于这种草药的抗糖尿病和肾脏相关疾病，非常需要制备已知植物化学特征的馏分。这是第一项使用溶剂化自由能来预测从高度复杂的草药样品中提取迷迭香酸的合适溶剂体系的研究，采用固相萃取技术。在进行湿实验之前，使用溶剂化自由能模拟既方便又可靠，可节省时间和成本。
