title: Systematic and practical solvent system selection strategy based on the nonrandom two-liquid segment activity coefficient model for real-life counter-current chromatography separation.
abstract: Solvent system selection is the first step toward a successful counter-current chromatography (CCC) separation. This paper introduces a systematic and practical solvent system selection strategy based on the nonrandom two-liquid segment activity coefficient (NRTL-SAC) model, which is efficient in predicting the solute partition coefficient. Firstly, the application of the NRTL-SAC method was extended to the ethyl acetate/n-butanol/water and chloroform/methanol/water solvent system families. Moreover, the versatility and predictive capability of the NRTL-SAC method were investigated. The results indicate that the solute molecular parameters identified from hexane/ethyl acetate/methanol/water solvent system family are capable of predicting a large number of partition coefficients in several other different solvent system families. The NRTL-SAC strategy was further validated by successfully separating five components from Salvia plebeian R.Br. We therefore propose that NRTL-SAC is a promising high throughput method for rapid solvent system selection and highly adaptable to screen suitable solvent system for real-life CCC separation.
authors.affiliation: Yunnan Food Safety Research Institute, Kunming University of Science and Technology, Kunming 650500, China; College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China.
authors.forename: Da-Bing
authors.initials: DB
authors.lastname: Ren
authors.affiliation: Yunnan Food Safety Research Institute, Kunming University of Science and Technology, Kunming 650500, China; College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China. Electronic address: ylz7910@hotmail.com.
authors.forename: Lun-Zhao
authors.initials: LZ
authors.lastname: Yi
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China.
authors.forename: Yan-Hua
authors.initials: YH
authors.lastname: Qin
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China.
authors.forename: Yong-Huan
authors.initials: YH
authors.lastname: Yun
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China; Department of Chemistry, University of Bergen, Bergen N-5007, Norway.
authors.forename: Bai-Chuan
authors.initials: BC
authors.lastname: Deng
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China.
authors.forename: Hong-Mei
authors.initials: HM
authors.lastname: Lu
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China.
authors.forename: Xiao-Qing
authors.initials: XQ
authors.lastname: Chen
authors.affiliation: College of Chemistry and Chemical Engineering, Central South University, Changsha 410083, China. Electronic address: yizeng_liang@263.net.
authors.forename: Yi-Zeng
authors.initials: YZ
authors.lastname: Liang
mesh_terms: D020001:1-Butanol / Q000737:chemistry; D000085:Acetates / Q000737:chemistry; D002725:Chloroform / Q000737:chemistry; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D003377:Countercurrent Distribution / Q000379:methods*; D006586:Hexanes / Q000737:chemistry; D000432:Methanol / Q000737:chemistry; D010936:Plant Extracts / Q000737:chemistry; D027544:Salvia / Q000737:chemistry; D012997:Solvents / Q000737:chemistry*; D014867:Water / Q000737:chemistry
chemical_list: D000085:Acetates; D006586:Hexanes; D010936:Plant Extracts; D012997:Solvents; D014867:Water; C026385:n-hexane; C007650:ethyl acetate; D002725:Chloroform; D020001:1-Butanol; D000432:Methanol
keywords: Counter-current chromatography; NRTL-SAC method; Partition coefficient; Predictive capability; Real-life separation; Solvent system selection