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优化了用深度环氧溶剂提取沙弗兰生物活性提取

Atefeh Saberi¹, Heidar Raissi², Ameneh Zaboli¹

¹Department of chemistry, University of Birjand, Birjand, Iran.

Scientific reports

|May 10, 2025

概括

深度欧性溶剂显示出从番茄中提取生物活性化合物的前景. 分子动力学模拟确定了Caprylic acid + DL-menthol作为关键胡卜素最有效的溶剂.

科学领域:

绿色化学绿色化学
计算化学计算化学
自然产品提取提取自然产品

背景情况:

沙夫兰含有宝贵的生物活性化合物,如克罗辛和沙夫兰.
有效的提取方法对于可持续地获得这些化合物至关重要.
深度环氧溶剂 (DES) 正在成为提取的环保替代品.

研究的目的:

通过分子动力学 (MD) 模拟来研究六种二元深度环氧溶剂在提取沙法兰生物活性成分方面的潜力.
了解DESs和沙弗朗的生物活性分子之间的相互作用.
为了确定特定的胡卜素提取最有效的DES.

主要方法:

用分子动力学 (MD) 模拟来研究六种不同的二进制环氧溶剂.
分析DES和生物活性分子的结构和表面特征.
计算相互作用能量值以评估提取效率.

主要成果:

德斯和生物活性分子之间的相互作用受到它们的结构和表面特性的影响.
卡普里酸 (CAP) +DL-menthol (DLM) 在提取α-胡卜素 (ACA),β-胡卜素 (BCA) 和黄素 (ZEA) 中表现出卓越的性能.
对于最有效的溶剂-溶解物对,报告了特定的相互作用能量值.

结论:

深度欧性溶剂为罗生物活性成分提取提供了一种多功能和绿色的方法.
溶剂的选择至关重要,并且取决于具体的目标化合物.
这项研究为天然产品提取中的可持续工程和化学开辟了新的途径.

关键词:

深度欧性溶剂溶剂提取提取提取分子动力学模拟模型沙夫兰是一种沙夫兰.

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