title: A fast and direct spectrophotometric method for the simultaneous determination of methyl paraben and hydroquinone in cosmetic products using successive projections algorithm.
abstract: OBJECTIVE
  To develop a simple and efficient spectrophotometric technique combined with chemometrics for the simultaneous determination of methyl paraben (MP) and hydroquinone (HQ) in cosmetic products, and specifically, to: (i) evaluate the potential use of successive projections algorithm (SPA) to derivative spectrophotometric data in order to provide sufficient accuracy and model robustness and (ii) determine MP and HQ concentration in cosmetics without tedious pre-treatments such as derivatization or extraction techniques which are time-consuming and require hazardous solvents.
  
  
  METHODS
  The absorption spectra were measured in the wavelength range of 200-350 nm. Prior to performing chemometric models, the original and first-derivative absorption spectra of binary mixtures were used as calibration matrices. Variable selected by successive projections algorithm was used to obtain multiple linear regression (MLR) models based on a small subset of wavelengths. The number of wavelengths and the starting vector were optimized, and the comparison of the root mean square error of calibration (RMSEC) and cross-validation (RMSECV) was applied to select effective wavelengths with the least collinearity and redundancy. Principal component regression (PCR) and partial least squares (PLS) were also developed for comparison. The concentrations of the calibration matrix ranged from 0.1 to 20 μg mL(-1) for MP, and from 0.1 to 25 μg mL(-1) for HQ. The constructed models were tested on an external validation data set and finally cosmetic samples.
  
  
  RESULTS
  The results indicated that successive projections algorithm-multiple linear regression (SPA-MLR), applied on the first-derivative spectra, achieved the optimal performance for two compounds when compared with the full-spectrum PCR and PLS. The root mean square error of prediction (RMSEP) was 0.083, 0.314 for MP and HQ, respectively. To verify the accuracy of the proposed method, a recovery study on real cosmetic samples was carried out with satisfactory results (84-112%).
  
  
  CONCLUSIONS
  The proposed method, which is an environmentally friendly approach, using minimum amount of solvent, is a simple, fast and low-cost analysis method that can provide high accuracy and robust models. The suggested method does not need any complex extraction procedure which is time-consuming and requires hazardous solvents.
authors.affiliation: Department of Chemistry, University of Zanjan, Zanjan, 45195-313, Iran.
authors.forename: M
authors.initials: M
authors.lastname: Esteki
authors.affiliation: Department of Chemistry, University of Zanjan, Zanjan, 45195-313, Iran.
authors.forename: S
authors.initials: S
authors.lastname: Nouroozi
authors.affiliation: Department of Chemistry, University of Zanjan, Zanjan, 45195-313, Iran.
authors.forename: Z
authors.initials: Z
authors.lastname: Shahsavari
mesh_terms: D000465:Algorithms; D002138:Calibration; D003358:Cosmetics / Q000737:chemistry*; D006863:Hydrogen-Ion Concentration; D006873:Hydroquinones / Q000032:analysis*; D010226:Parabens / Q000032:analysis*; D025341:Principal Component Analysis; D012015:Reference Standards; D013056:Spectrophotometry, Ultraviolet
chemical_list: D003358:Cosmetics; D006873:Hydroquinones; D010226:Parabens; C015358:methylparaben; C031927:hydroquinone
keywords: chemometrics; cosmetics; derivative spectrophotometry; hydroquinone; methyl paraben; successive projections algorithm