title: A chemical profiling solution for Chinese medicine formulas using comprehensive and loop-based multiple heart-cutting two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry.
abstract: Chinese medicine formulas represent an excellent illustration for "complex matrix". The complexity lies in a big array of small molecules with high chemical diversity. The present paper describes a novel chemical profiling solution for complex matrix by combining comprehensive and multiple heart-cutting two-dimensional liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (2DLC/qTOF-MS). This solution includes method optimization, combinational separation, and structural characterization. It was exemplified by fully profiling the chemical constituents of a four-herb traditional Chinese medicine formula, Gegen-Qinlian Decoction (GQD). GQD was separated by a RP × RP (C18 × Phenyl-Hexyl) 2DLC system, and eluted with acidic × alkaline mobile phases with an optimized shift gradient elution program. In the comprehensive 2DLC mode, 280 peaks were detected, and 125 compounds were characterized within 42 minutes. The multiple heart-cutting (MHC) mode extended the (2)D modulation time to 3.0 min to effectively separate the minor compounds. The (1)D eluate within 4.4 min was loaded into eleven 40-μL loops. These fractions were successively separated by (2)D to resolve 13 additional compounds. The combination of comprehensive and MHC 2DLC/qTOF-MS provides a powerful technique for global chemical profiling of Chinese medicine formulas and other complex systems.
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, China.
authors.forename: Xue
authors.initials: X
authors.lastname: Qiao
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, China.
authors.forename: Qi
authors.initials: Q
authors.lastname: Wang
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, China.
authors.forename: Wei
authors.initials: W
authors.lastname: Song
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, China.
authors.forename: Yi
authors.initials: Y
authors.lastname: Qian
authors.affiliation: Agilent Technologies, 3 Wangjing North Road, Beijing 100102, China.
authors.forename: Yao
authors.initials: Y
authors.lastname: Xiao
authors.affiliation: Agilent Technologies, 3 Wangjing North Road, Beijing 100102, China.
authors.forename: Rong
authors.initials: R
authors.lastname: An
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, China.
authors.forename: De-an
authors.initials: DA
authors.lastname: Guo
authors.affiliation: State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, 38 Xueyuan Road, Beijing 100191, China. Electronic address: yemin@bjmu.edu.cn.
authors.forename: Min
authors.initials: M
authors.lastname: Ye
mesh_terms: D002623:Chemistry Techniques, Analytical / Q000379:methods*; D002851:Chromatography, High Pressure Liquid; D004365:Drugs, Chinese Herbal / Q000737:chemistry; D013058:Mass Spectrometry
chemical_list: D004365:Drugs, Chinese Herbal
keywords: 2DLC/qTOF-MS; Chinese medicine formula; Comprehensive 2DLC; Gegen-Qinlian Decoction; Multiple heart-cutting 2DLC