Awell-anticipated wide-field X-ray focusing imager,the Einstein Probe(EP,also named“Tianguan”in Chinese)has caught the eye of astronomers since its launch in January 2024.Initiated and sponsored by the Chinese Acade...Awell-anticipated wide-field X-ray focusing imager,the Einstein Probe(EP,also named“Tianguan”in Chinese)has caught the eye of astronomers since its launch in January 2024.Initiated and sponsored by the Chinese Academy of Sciences(CAS),and developed in cooperation with the European Space Agency(ESA).展开更多
目的:采用真实溶剂似导体屏蔽模型(conductor-like screening model for real solvents,COSMO)预测制何首乌中大黄素在不同溶剂中的提取情况,筛选最佳提取溶剂并对提取机理进行解释。方法:利用COSMO模型预测了1,3-丙二醇-乳酸(1∶3)制...目的:采用真实溶剂似导体屏蔽模型(conductor-like screening model for real solvents,COSMO)预测制何首乌中大黄素在不同溶剂中的提取情况,筛选最佳提取溶剂并对提取机理进行解释。方法:利用COSMO模型预测了1,3-丙二醇-乳酸(1∶3)制备的天然低共熔溶剂(natural deep eutectic solvents,NADESs)与传统低共熔溶剂(traditional deep eutectic solvents,DESs)对制何首乌中大黄素的提取情况,并通过试验验证该模型预测结果的准确性,进一步解释提取机理。结果:经COSMO模型预测,大黄素与1,3-丙二醇-乳酸(1∶3)组成的NADES间的相互作用能为-762.8972 kJ/mol,显著高于大黄素与甲醇和水间的相互作用能。相互作用能越大,提取效率越高。最终预测大黄素提取效率由高到低依次为1,3-丙二醇-乳酸(1∶3)、甲醇、水。经试验进一步验证,NADES对大黄素的提取率为1.1266 mg/g,提取效率是水的16.07倍,甲醇的1.19倍,整体趋势与COSMO模型预测结果一致。结论:COSMO模型不仅可以准确预测大黄素在不同溶剂中的溶解规律,还可以从微观角度解释提取机理,可为各类天然产物高效提取溶剂的选择提供一定借鉴。展开更多
文摘Awell-anticipated wide-field X-ray focusing imager,the Einstein Probe(EP,also named“Tianguan”in Chinese)has caught the eye of astronomers since its launch in January 2024.Initiated and sponsored by the Chinese Academy of Sciences(CAS),and developed in cooperation with the European Space Agency(ESA).
文摘目的:采用真实溶剂似导体屏蔽模型(conductor-like screening model for real solvents,COSMO)预测制何首乌中大黄素在不同溶剂中的提取情况,筛选最佳提取溶剂并对提取机理进行解释。方法:利用COSMO模型预测了1,3-丙二醇-乳酸(1∶3)制备的天然低共熔溶剂(natural deep eutectic solvents,NADESs)与传统低共熔溶剂(traditional deep eutectic solvents,DESs)对制何首乌中大黄素的提取情况,并通过试验验证该模型预测结果的准确性,进一步解释提取机理。结果:经COSMO模型预测,大黄素与1,3-丙二醇-乳酸(1∶3)组成的NADES间的相互作用能为-762.8972 kJ/mol,显著高于大黄素与甲醇和水间的相互作用能。相互作用能越大,提取效率越高。最终预测大黄素提取效率由高到低依次为1,3-丙二醇-乳酸(1∶3)、甲醇、水。经试验进一步验证,NADES对大黄素的提取率为1.1266 mg/g,提取效率是水的16.07倍,甲醇的1.19倍,整体趋势与COSMO模型预测结果一致。结论:COSMO模型不仅可以准确预测大黄素在不同溶剂中的溶解规律,还可以从微观角度解释提取机理,可为各类天然产物高效提取溶剂的选择提供一定借鉴。
