Natural Products Laboratory, Institute of Biology, Leiden University, Sylviusweg 72, 2333BE Leiden, The Netherlands.
College of Pharmacy, Kyung Hee University, Seoul 02447, Korea.
Mar Drugs. 2018 Oct 20;16(10):393. doi: 10.3390/md16100393.
Metabolomics has become an important tool in the search for bioactive compounds from natural sources, with the recent inclusion of marine organisms. Of the several steps performed in metabolomics studies, the extraction process is a crucial step-one which has been overlooked for a long time. In the presented study, a pressurized liquid extraction system was used to investigate the effect of extraction parameters such as pressure, temperature, number of cycles, and solvent polarity on the chemical diversity of the extract obtained from the marine sponge, . For this, a full factorial design (2⁴) was performed using a chemical diversity index, which was found to be a suitable tool to determine the efficiency of the extraction process, as the response variable. This index was calculated using a logarithmic transformation of ¹H NMR signals. Three factors (number of cycles, temperature, and solvent polarity) and two interactions were found to affect the chemical diversity of the obtained extracts significantly. Two individual factors (temperature and solvent polarity) were selected for further study on their influence on sponge metabolites using orthogonal partial least square (OPLS) modeling. Based on the results, the groups of compounds that were most influenced by these parameters were determined, and it was concluded that ethanol as the extraction solvent together with low temperatures were the conditions that provided a higher chemical diversity in the extract.
代谢组学已成为从天然来源中寻找生物活性化合物的重要工具，最近包括海洋生物。在代谢组学研究中进行的几个步骤中，提取过程是一个关键步骤——这一过程长期以来一直被忽视。在本研究中，使用加压液体提取系统研究了提取参数（如压力、温度、循环次数和溶剂极性）对从海洋海绵中获得的提取物的化学多样性的影响。为此，使用化学多样性指数进行了完全析因设计 (2⁴)，该指数被发现是确定提取过程效率的合适工具，因为响应变量。该指数是使用 ¹H NMR 信号的对数变换计算得出的。发现三个因素（循环次数、温度和溶剂极性）和两个相互作用对获得的提取物的化学多样性有显著影响。选择两个单独的因素（温度和溶剂极性）进一步使用正交偏最小二乘 (OPLS) 模型研究它们对海绵代谢物的影响。根据结果，确定了受这些参数影响最大的化合物组，并得出结论，乙醇作为提取溶剂和低温是提供提取物中更高化学多样性的条件。
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