Spectrometric Determination Of Some Pharmaceutical Samples Using Chemometrics Approaches

Owing to the rapid development of instrumentation in analytical chemistry, new and efficient data analysis techniques are required for data interpretation. Chemometrics is a new discipline in chemistry that applied mathematical, statistical and other logic-based methods to analyze chemical data in particular in analytical chemistry. From chemical literature, chemometrics techniques have been applied successfully in different areas.The application of chemometrics in the analysis of pharmaceutical multicomponent spectrometric determination has been developed rapidly. Because of the complexity in pharmaceutical samples, in spectrometric analysis it often encounters many problems about disturbance, when the combination of chemometrics we can solve this kind of problem like overlap spectrum etc.This paper can be divided into five parts:Part 1This section has gathered most of the literatures from 1980-2004 that relate to chemometrics application in the analysis of pharmaceutical multicomponent spectrometric determination. According to different analytical methods of pharmaceutical, including ultraviolet-visible spectrophotometry, infrared absorption spectroscopy, fluorescence, nuclear magnetic resonance spectroscopy, chromatography, et al. The Chemometrics includes chemical experimental design and optimization (such as orthogonal design, simplex method and variance analysis), chemical pattern recognition (such as clusters, PCA, k-nearest neighbour analysis, SIMCA and ANN), multi-variance calibration (such as MLR, CLS, PCR and PLS) and spectrum analysis (Such as ITTFA, EFA and FSWEFA), signal processing (such as filtering, smoothing, derivation and convolution). In the paper, for each category the experimental foundation and the situation of chemometrics' application in this field have been discussed. Including the sensitivity, linear range and chemometrics parameter.Part 2In this section, sulphonamides have absorption at UV range, and theirs absorption spectra are seriously overlapped. In this paper, the chemometric multivariate calibration methods, such as partial least squares (PLS) and principal components regression (PCR) were applied to the simultaneous determination of these five compounds in the B-R buffer solution (pH 9.91). These methods were successfully applied to the analysis of samples with satisfied results.Part 3In this paper, chlorpromazine hydrochloride and promethazine hydrochloride firstly were oxidized fastred intermediate product, then, which gradually changed into colorless product by ammonium cerous sulfate in appropriate acidity. At λ=514 nm, from t=10s to t= 180s(each data for 1s). We can get the kinetic curve for determination. Because the oxidation ability of ammonium cerous sulfate was affected by acidity and concentration of solution, we discuss and select their optimization. The chemometrics multivariate calibration methods, such as partial least squares (PLS) and principal components regression (PCR) wereapplied to the simultaneous determination of these two compounds. The partial least square method was usedto establish the model based on the kinetic data. The effect of the number of components to RSD has been discussed. The method shows better results.Part 4Fluorescence spectrum of trimethoprim and norfloxacin are seriously overlapped. The two-waysynchronous fluorescent spectrum was adopted, AX was 150nm, In this paper, the chemometrics, such as partial least squares (PLS) and principal components regression (PCR) were prepared and applied to the simultaneous determination of pharmaceutical sample. Satisfied quantitative results were attained.Part 5Metronidazole and vitamin B₆ have absorption in UV range, but their spectra were overlapped seriously. In this paper, their mixed solutions were determined. The chemometrics multivariate calibration methods, such as partial least squares (PLS) and principal components regression (PCR) were prepared and applied to the simultaneous determination of pharmaceutical samples. Satisfied quantitative results were attained.