calibration transfer method is evaluated by transferring multivariate models between two equivalent near-infrared (NIR) analyzers for the prediction of A an Active Pharmaceutical Ingredient (API) in tablets. The method includes selecting a few representative samples, building a transformation relation, and standardizing spectra. Backward and forward transfer approaches are compared. A practical...

A newly developed multivariate method involving net analyte preprocessing (NAP) was tested using central composite calibration designs of progressively decreasing size regarding the multivariate simultaneous spectrophotometric determination of three active components (phenylephrine, diphenhydramine and naphazoline) and one excipient (methylparaben) in nasal solutions. Its performance was evalua...

Two multivariate calibration methods are compared for the simultaneous chromatographic determination and separation of Sulfamethoxazole (SMX) and Phthalazine (PHZ) by High Performance Liquid Chromatography (HPLC). Multivariate calibration techniques such as Classical Least Squares (CLS) and Inverse Least Squares (ILS) were introduced into HPLC to determine the quantification by using UV detecto...

Four spectrophotometric methods are described and applied to resolve ternary mixtures of the corticosteroid Dexamethasone (DEX), the antibiotic Polymyxin B (PLX) and its encouraging Trimethoprim (TMP). The simultaneous determination of these three compounds was firstly accomplished by a derivative method using the “ratio spectrum-zero crossing derivative” (satisfactory results in synthetic mixt...

The potential of Near Infrared Reflectance Spectroscopy (NIRS) as a fast method to predict the Crude Protein (CP) and Moisture (M) content in fishmeal by scanning spectra between 1000 and 2500 nm using multivariate regression technique based on Partial Least Squares (PLS) was evaluated. The coefficient of determination in calibration (R2C) and Standard Error of Calibra...

The multivariate calibration method, partial least square regression (PLS) was applied for thesimultaneous spectrophotometric determination of Lidocaine (LID) and Hydrocortisone acetate(HCA) in their mixtures. The parameters of chemometric technique were optimized and theproposed method was validated with synthetic samples and applied to analyze these drugs inpharmaceutical products with good a...

Quantitative structure-activity relationship (QSAR) analysis has been carried out with a series of 107 anti-HIV HEPT compounds with antiviral activity, which was performed by chemometrics methods. Bi-dimensional images were used to calculate some pixels and multivariate image analysis was applied to QSAR modelling of the anti-HIV potential of HEPT analogues by means of multivariate calibration,...

One of the essential factors influencing the prediction accuracy of multivariate calibration models is the quality of the calibration data. A local regression strategy, together with a wavelength selection approach, is proposed to build the multivariate calibration models based on partial least squares regression. The local algorithm is applied to create a calibration set of spectra similar to ...

Quantitative structure-activity relationship (QSAR) analysis has been carried out with a series of 107 anti-HIV HEPT compounds with antiviral activity, which was performed by chemometrics methods. Bi-dimensional images were used to calculate some pixels and multivariate image analysis was applied to QSAR modelling of the anti-HIV potential of HEPT analogues by means of multivariate calibration,...