School of Pharmacy, Zunyi Medical University, Zunyi 563003, Guizhou, China.
Huabang Shengkai Pharmaceutical Co., Ltd, 400000 Chongqing, China.
Ultrason Sonochem. 2023 Aug;98:106491. doi: 10.1016/j.ultsonch.2023.106491. Epub 2023 Jun 19.
In this study, the deep eutectic solvent based ultrasound-assisted extraction (DES-UAE) was investigated for the efficient and environmentally friendly extraction of Selaginella chaetoloma total biflavonoids (SCTB). As an extractant for optimization, tetrapropylaminium bromide-1,4-butanediol (Tpr-But) was employed for the first time. 36 DESs were created, with Tpr-But producing the most effective results. Based on response surface methodology (RSM), the greatest extraction rate of SCTB was determined to be 21.68 ± 0.78 mg/g, the molar ratio of HBD to HBA was 3.70:1, the extraction temperature was 57 °C, and the water content of DES was 22 %. In accordance with Fick's second rule, a kinetic model for the extraction of SCTB by DES-UAE has been derived. With correlation coefficients 0.91, the kinetic model of the extraction process was significantly correlated with the general and exponential equations of kinetics, and some important kinetic parameters such as rate constants, energy of activation and raffinate rate were determined. In addition, molecular dynamics simulations were used to study the extraction mechanisms generated by different solvents. Comparing the effect of several extraction methods on S.chaetoloma using ultrasound-assisted extraction and conventional methods, together with SEM examination, revealed that DES-UAE not only saved time but also enhanced SCTB extraction rate by 1.5-3 folds. SCTB demonstrated superior antioxidant activity in three studies in vitro. Furthermore, the extract could suppress the growth of A549, HCT-116, HepG2, and HT-29 cancer cells. Alpha-Glucosidase (AG) inhibition experiment and molecular docking studies suggested that SCTB exhibited strong inhibitory activity against AG and potential hypoglycemic effects. The results of this study indicated that a Tpr-But-based UAE method was suitable for the efficient and environmentally friendly extraction of SCTB, and also shed light on the mechanisms responsible for the increased extraction efficiency, which could aid in the application of S.chaetoloma and provide insight into the extraction mechanism of DES.
在这项研究中，我们研究了基于深共晶溶剂的超声辅助提取（DES-UAE）方法，以高效、环保地提取卷柏总双黄酮（SCTB）。我们首次使用四丙基溴化铵-1,4-丁二醇（Tpr-But）作为提取剂进行优化。共合成了 36 种深共晶溶剂，其中 Tpr-But 的效果最佳。基于响应面法（RSM），确定 SCTB 的最大提取率为 21.68±0.78mg/g，HBD 与 HBA 的摩尔比为 3.70:1，提取温度为 57°C，DES 的含水量为 22%。根据菲克第二定律，推导出了 DES-UAE 提取 SCTB 的动力学模型。该动力学模型与一般动力学方程和指数动力学方程具有显著的相关性，相关系数为 0.91，并且确定了一些重要的动力学参数，如速率常数、活化能和萃余率。此外，还通过分子动力学模拟研究了不同溶剂的提取机制。通过超声辅助提取和常规方法比较了几种提取方法对卷柏的影响，以及 SEM 检查，结果表明 DES-UAE 不仅节省了时间，而且将 SCTB 的提取率提高了 1.5-3 倍。SCTB 在三种体外抗氧化活性研究中表现出优异的抗氧化活性。此外，该提取物能够抑制 A549、HCT-116、HepG2 和 HT-29 癌细胞的生长。α-葡萄糖苷酶（AG）抑制实验和分子对接研究表明，SCTB 对 AG 表现出强烈的抑制活性和潜在的降血糖作用。本研究结果表明，基于 Tpr-But 的 UAE 方法适用于 SCTB 的高效、环保提取，也为提高提取效率的机制提供了启示，这有助于卷柏的应用，并为 DES 的提取机制提供了深入了解。
