Dinç &Baleanu: Journal of aoaC international Vol. 95, no. 3, 2012 903 Fractional-Continuous Wavelet Transforms and Ultra-Performance Liquid Chromatography for the Multicomponent Analysis of a Ternary Mixture Containing Thiamine, Pyridoxine, and Lidocaine in Ampules Erdal dinç Ankara University, Department of Analytical Chemistry, Faculty of Pharmacy, 06100 Tandoğan, Ankara, Turkey dumitru BalEanu Çankaya University, Department of Mathematics and Computer Sciences, Faculty and Art and Sciences, 06530 Ankara, Turkey; National Institute for Laser, Plasma and Radiation Physics, Institute of Space Science, Magurele-Bucharest, PO Box, MG-23, R 76911, Romania Received May 8, 2011. Accepted by GL September 28, 2011. Corresponding author’s e-mail: dinc@pharmacy.ankara.edu.tr DOI: 10.5740/jaoacint.11-199 New chemometric approaches based on the application of partial least squares (PLS) and principal component regression (PCR) algorithms with fractional wavelet transform (FWT) and continuous wavelet transform (CWT) are proposed for the spectrophotometric multicomponent determination of thiamine hydrochloride (B 1 ), pyridoxine hydrochloride (B 6 ), and lidocaine hydrochloride (LID) in ampules without any separation step. In this study PLS and PCR techniques were applied to the raw spectral data, FWT-coeffcients, and FWT-CWT-coeffcients. These calibration models were labeled as Raw-PLS and Raw-PCR, FWT-PLS and FWT-PCR, and FWT- CWT-PLS and FWT-CWT-PCR, respectively. A new ultra-performance liquid chromatographic (UPLC) method was developed for the comparison of the results obtained by applying the chemometric calibration methods. Chromatographic separation and determination of B 1 , B 6 , and LID in ampules were performed on an Acquity UPLC ® BEH C18 column (50 × 2.1 mm id, 1.7 μm particle size) using gradient elution with a mobile phase consisting of methanol and 0.01 M HCl at a constant fow rate of 0.6 mL/min. These combined chemometric calibrations and UPLC were validated by analyzing various ternary mixtures, B 1 , B 6 , and LID. The proposed chemometric approaches (signal processing- multivariate calibrations) and UPLC method were applied to the quantitative multicomponent analysis of marketed ampules containing the vitamins B 1 and B 6 with LID. V itamins are very important organic compounds in living systems. In almost all cases, they cannot be manufactured or synthesized by the organism, and their absence or improper absorption results in specifc defciency diseases. It is not possible to sustain life without all the essential vitamins. Vitamins are classifed by their biological and chemical activities. Vitamins in combination, alone, or with other active compounds are found in commercial food and pharmaceutical products. Keeping the dosage form under control is a vital issue in the food and drug industries; namely, usually once a day, the mixture consisting of two ampules (I and II) may be injected as a starting dose. For the treatment, this dose is repeated two or three times/week. Therefore, the simultaneous analysis of vitamin mixtures in food and pharmaceutical preparations is a very important. In this context, the analysis of vitamin combinations was performed by chromatographic, spectrophotometric, and chemometric methods. Generally, chromatographic methods, such us HPLC and its modifed versions, have been used for the simultaneous analysis of chemicals. However, HPLC and other methods based on a separation procedure may not always provide desirable analytical results. These techniques have some disadvantages, such as being time-consuming and the need to fnd the optimal chromatographic separation conditions. In addition, they require very expensive apparatus components. UV-Vis spectrophotometry or molecular spectrophotometry is widely used for chemical analysis due to its rapidity, simplicity, large area of applicability, and low cost. The derivative method based on the use of the UV spectra gives good results for the resolution of the binary mixtures, but it is not appropriate for analysis of the ternary, quaternary, and multicomponent mixtures in the presence of overlapping spectra. Partial least squares (PLS) and principal component regression (PCR) have been used for the analysis of ternary and quaternary mixtures. Due to the strong spectral interferences and the excipient or matrix effects, the analysis of ternary and quaternary mixtures is not performed by using the chemometric PLS and application of the chemometric PLS and PCR methods to the raw UV-Vis spectral data in some analysis procedures. However, after transformation of the raw spectral data by using wavelet analysis, PLS and PCR applications to the wavelet-coeffcients provide successful results for the analysis of multicomponents mixtures, namely, providing higher recovery results and lower SD. Thus, the proposed methods are more accurate and precise for the analysis of the related compounds in samples. In this study, we investigated the combination consisting of thiamine hydrochloride (B 1 ) and STATISTICAL ANALYSIS Downloaded from https://academic.oup.com/jaoac/article/95/3/903/5655236 by guest on 26 October 2022