Screening of new solvents for artemisininextraction process using ab initio methodology
Alexei A. Lapkin, Martina Peters, Lasse Greiner, Smaïn Chemat, Kai O. Leonhard, Marcel Liauw, Walter Leitner · Green Chemistry · 2009
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.