Exploration of the multiscale interaction mechanism between natural deep eutectic solvents and silybin by QC calculation and MD simulation
Jinhao Yao, Lei Xiao, Chunlu Li, Bo Wang, Yueyuan Chen, Xiaojie Yan, Zhifang Cui
Topics & Concepts
ChemistryHydrogen bondExtraction (chemistry)Molecular dynamicsSolventEutectic systemComputational chemistryMoleculeOrganic chemistryAlloyAnalytical Chemistry and ChromatographyCrystallization and Solubility StudiesIonic liquids properties and applications