title: The application of continuous wavelet transform and least squares support vector machine for the simultaneous quantitative spectrophotometric determination of Myricetin, Kaempferol and Quercetin as flavonoids in pharmaceutical plants.
abstract: Flavonoids are γ-benzopyrone derivatives, which are highly regarded in these researchers for their antioxidant property. In this study, two new signals processing methods been coupled with UV spectroscopy for spectral resolution and simultaneous quantitative determination of Myricetin, Kaempferol and Quercetin as flavonoids in Laurel, St. John's Wort and Green Tea without the need for any previous separation procedure. The developed methods are continuous wavelet transform (CWT) and least squares support vector machine (LS-SVM) methods integrated with UV spectroscopy individually. Different wavelet families were tested by CWT method and finally the Daubechies wavelet family (Db4) for Myricetin and the Gaussian wavelet families for Kaempferol (Gaus3) and Quercetin (Gaus7) were selected and applied for simultaneous analysis under the optimal conditions. The LS-SVM was applied to build the flavonoids prediction model based on absorption spectra. The root mean square errors for prediction (RMSEP) of Myricetin, Kaempferol and Quercetin were 0.0552, 0.0275 and 0.0374, respectively. The developed methods were validated by the analysis of the various synthetic mixtures associated with a well- known flavonoid contents. Mean recovery values of Myricetin, Kaempferol and Quercetin, in CWT method were 100.123, 100.253, 100.439 and in LS-SVM method were 99.94, 99.81 and 99.682, respectively. The results achieved by analyzing the real samples from the CWT and LS-SVM methods were compared to the HPLC reference method and the results were very close to the reference method. Meanwhile, the obtained results of the one-way ANOVA (analysis of variance) test revealed that there was no significant difference between the suggested methods.
authors.affiliation: Department of Chemistry, Faculty of Chemistry, Azad University, North Tehran Branch, P.O. Box 1913674711, Tehran, Iran.
authors.forename: Mahmoud Reza
authors.initials: MR
authors.lastname: Sohrabi
authors.affiliation: Department of Chemistry, Faculty of Chemistry, Azad University, North Tehran Branch, P.O. Box 1913674711, Tehran, Iran. Electronic address: golnazdarabi@yahoo.com.
authors.forename: Golnaz
authors.initials: G
authors.lastname: Darabi
mesh_terms: D002851:Chromatography, High Pressure Liquid; D005419:Flavonoids / Q000032:analysis*; D044949:Kaempferols / Q000032:analysis*; D016018:Least-Squares Analysis; D010946:Plants, Medicinal / Q000737:chemistry*; D011794:Quercetin / Q000032:analysis*; D013056:Spectrophotometry, Ultraviolet / Q000379:methods*; D060388:Support Vector Machine; D058067:Wavelet Analysis
chemical_list: D005419:Flavonoids; D044949:Kaempferols; C006552:kaempferol; C040015:myricetin; D011794:Quercetin
keywords: Continuous wavelet transform; Flavonoids; Least squares support vector machine; Pharmaceutical plants; UV Spectroscopy