Enhancing effect of choline chloride-based deep eutectic solvents with polyols on the aqueous solubility of curcumin–insight from experiment and theoretical calculation  

作　　者：Wen Yu Yiyang Bo Yiling Luo Xiyan Huang Rixiang Zhang Jiaheng Zhang 

机构地区：[1]Research Centre of Printed Flexible Electronics,School of Materials Science and Engineering,Harbin Institute of Technology,Shenzhen 518055,China

出　　处：《Chinese Journal of Chemical Engineering》2023年第7期160-168,共9页中国化学工程学报（英文版）

基　　金：financially supported by the National Natural Science Foundation of China (21905069, U21A20307, 22208073);the Shenzhen Science and Technology Innovation Committee (ZDSYS20190902093220279, KQTD20170809110344233, GXWD20201230155427003-20200821181245001, GXWD20201230155427003-202008211 81809001, ZX20200151);the Department of Science and Technology of Guangdong Province (2020A1515110879)。

摘　　要：The development of green solvents for enhancing aqueous solubility of drug curcumin remains a challenge. This study explores the enhancing effect of deep eutectic solvents(DESs) on the aqueous solubility of curcumin(CUR) via experiment and theoretical calculation. Choline chloride-based DESs with polyols 1,2-propanediol(1,2-PDO), 1,3-propanediol, ethylene glycol, and glycerol as hydrogen bond donors were prepared and used as co-solvents. The CUR aqueous solubility increased with increasing the DESs content at temperature of 303.15-318.15 K, especially in aqueous ChCl/1,2-PDO(mole ratio 1:4) solutions. The positive apparent molar volume values and reduced density gradient analysis confirmed the existence of strong interactions between CUR and solvent. The van der Waals interactions and hydrogen bonding coexisted in DESs monomer retained the stability of DESs structure after introducing CUR. Moreover,the lower interaction energy of DESs…CUR system than that of the counterpart DESs further proved the strong interaction between CUR and DESs. The lowest interaction energy of ChCl/1,2-PDO…CUR system indicated that this system was the most stable and ChCl/1,2-PDO was promising for CUR dissolution.This work provides efficient solvents for utilizing curcumin, contributing to a deep insight into the interactions between DES and CUR at the molecular level, and the role of DESs on enhancing drugs solubility.

关 键 词：Choline chloride-polyol Deep eutectic solvents CURCUMIN Aqueous solubility Theoretical calculation 

分 类 号：TQ460.1[化学工程—制药化工]