title: Potential antioxidant compounds in Mallotus species fingerprints. Part I: indication, using linear multivariate calibration techniques.
abstract: Some Mallotus species are used in traditional medicine in Vietnam and China. Some also show interesting activities, such as antioxidant and cytotoxic ones. Combining fingerprint technology with data-handling techniques allows indicating the peaks potentially responsible for given activities. In this study it is aspired to indicate from chromatographic fingerprints the peaks potentially responsible for the antioxidant activity of several Mallotus species. Relevant information was extracted using linear multivariate calibration techniques, both before and after alignment of the fingerprints with correlation optimized warping (COW). From the studied techniques, Stepwise Multiple Linear Regression is least recommended as it made an inadequate variable selection. Principal Component Regression theoretically can take largely varying variables uncorrelated to the antioxidant activity into account. However, in practice in the actual case study this problem was limited. These problems in principle do not occur using Partial Least Squares (PLS) models. Of the tested PLS methods, Orthogonal Projections to Latent Structures was preferred because of its simplicity, reproducibility, reduced model complexity and improved interpretability of the regression coefficients, yielding a clearer view on the individual contribution of the compounds. Furthermore, reducing analysis times from 60 min to 35 and 22.5 min resulted in the same main compounds, indicated responsible for the antioxidant activity. Models built after alignment by COW did not result in additional information.
authors: Department of Analytical Chemistry and Pharmaceutical Technology, Vrije Universiteit Brussel-VUB, Laarbeeklaan 103, B-1090 Brussels, Belgium.
authors: C
authors: C
authors: Tistaert
authors: B
authors: B
authors: Dejaegher
authors: N
authors: N
authors: Nguyen Hoai
authors: G
authors: G
authors: Chataigné
authors: C
authors: C
authors: Rivière
authors: V
authors: V
authors: Nguyen Thi Hong
authors: M
authors: M
authors: Chau Van
authors: J
authors: J
authors: Quetin-Leclercq
authors: Y
authors: Y
authors: Vander Heyden
mesh_terms: D000975:Antioxidants / Q000032:analysis*; D002138:Calibration; D002851:Chromatography, High Pressure Liquid / Q000379:methods / Q000592:standards*; D016018:Least-Squares Analysis; D036461:Mallotus Plant / Q000737:chemistry*; D015999:Multivariate Analysis; D010946:Plants, Medicinal / Q000737:chemistry; D025341:Principal Component Analysis
chemical_list: D000975:Antioxidants