Screening of new solvents for artemisinin extraction process using ab initio methodology
Screening of new solvents for artemisinin extraction process using ab initio methodology
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DOI：
10.1039/b922001a
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发表时间：
2010-01-01
期刊：
影响因子：
9.8
通讯作者：
Leitner, Walter
中科院分区：
文献类型：
--
作者：
Lapkin, Alexei A.;Peters, Martina;Leitner, Walter
使用cosmos - rs方法评估了青蒿素在一系列传统和新型溶剂中的溶解度，并通过实验和文献数据进行了验证。通过对有限的实验数据进行校正，改进了计算方法，提高了计算的精度。优化后的方法与实验数据吻合较好；然而，缺乏可靠的实验数据被认为是一个问题。几种新型溶剂被认为是传统溶剂的绿色替代品，并被证明具有青蒿素的良好溶解度。对碳酸盐溶剂提取黄花蒿进行了实验验证。
The solubility of artemisinin in a range of conventional and novel solvents was evaluated using the COSMO-RS approach, and verified experimentally as well as against literature data. The computational method was improved by calibrating against a limited set of experimental data, enhancing the accuracy of the calculations. The optimised method was shown to be in reasonable agreement with experimental data; however, lack of reliable experimental data is identified as an issue. Several novel solvents perceived as green alternatives to conventional solvents were targeted and shown to offer good solubility of artemisinin. Extraction from Artemisia annua by carbonate solvents was experimentally verified.