title: Adaptive kernel independent component analysis and UV spectrometry applied to characterize the procedure for processing prepared rhubarb roots.
abstract: By determination of the number of absorptive chemical components (ACCs) in mixtures using median absolute deviation (MAD) analysis and extraction of spectral profiles of ACCs using kernel independent component analysis (KICA), an adaptive KICA (AKICA) algorithm was proposed. The proposed AKICA algorithm was used to characterize the procedure for processing prepared rhubarb roots by resolution of the measured mixed raw UV spectra of the rhubarb samples that were collected at different steaming intervals. The results show that the spectral features of ACCs in the mixtures can be directly estimated without chemical and physical pre-separation and other prior information. The estimated three independent components (ICs) represent different chemical components in the mixtures, which are mainly polysaccharides (IC1), tannin (IC2), and anthraquinone glycosides (IC3). The variations of the relative concentrations of the ICs can account for the chemical and physical changes during the processing procedure: IC1 increases significantly before the first 5 h, and is nearly invariant after 6 h; IC2 has no significant changes or is slightly decreased during the processing procedure; IC3 decreases significantly before the first 5 h and decreases slightly after 6 h. The changes of IC1 can explain why the colour became black and darkened during the processing procedure, and the changes of IC3 can explain why the processing procedure can reduce the bitter and dry taste of the rhubarb roots. The endpoint of the processing procedure can be determined as 5-6 h, when the increasing or decreasing trends of the estimated ICs are insignificant. The AKICA-UV method provides an alternative approach for the characterization of the processing procedure of rhubarb roots preparation, and provides a novel way for determination of the endpoint of the traditional Chinese medicine (TCM) processing procedure by inspection of the change trends of the ICs.
authors.affiliation: Department of Applied Chemistry, Zhengzhou University of Light Industry, Zhengzhou 450002, China. gqwang@zzuli.edu.cn
authors.forename: Guoqing
authors.initials: G
authors.lastname: Wang
authors.forename: Zhenyu
authors.initials: Z
authors.lastname: Hou
authors.forename: Yang
authors.initials: Y
authors.lastname: Peng
authors.forename: Yanjun
authors.initials: Y
authors.lastname: Wang
authors.forename: Xiaoli
authors.initials: X
authors.lastname: Sun
authors.forename: Yu-an
authors.initials: YA
authors.lastname: Sun
mesh_terms: D004365:Drugs, Chinese Herbal / Q000032:analysis* / Q000737:chemistry; D005504:Food Analysis; D005511:Food Handling; D018517:Plant Roots / Q000737:chemistry; D011134:Polysaccharides / Q000032:analysis; D025341:Principal Component Analysis; D012250:Rheum / Q000737:chemistry*; D013057:Spectrum Analysis / Q000379:methods*
chemical_list: D004365:Drugs, Chinese Herbal; D011134:Polysaccharides