Simultaneous Determination of Over-the-Counter Pain Relievers in Commercial Pharmaceutical Products Utilizing Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS) Multivariate Calibration Model

Abstract

The quality of over-the-counter (OTC) pain relievers is important to ensure the safety of the marketed products in order to maintain the overall health care of patients. In this study, the multivariate curve resolution-alternating least squares (MCR-ALS) chemometric method was developed and validated for the resolution and quantification of the most commonly consumed OTC pain relievers (acetaminophen, acetylsalicylic acid, ibuprofen, naproxen, and caffeine) in commercial drug formulations. The analytical performance of the developed chemometric methods such as root mean square error of prediction, bias, standard error of prediction, relative error of prediction, and coefficients of determination was calculated for the developed model. The obtained results are linear with concentration in the range of 0.5–7 μg/mL for acetaminophen and 0.5–3.5 and 0.5–3 μg/mL for naproxen and caffeine, respectively, while the linearity ranges for acetyl salicylic acid and ibuprofen were 1–15 μg/mL. High values of coefficients of determination ≥0.9995 reflected high predictive ability of the developed model. Good recoveries ranging from 98.0% to 99.7% were obtained for all analytes with relative standard deviations (RSDs) not higher than 1.62%. The optimized method was successfully applied for the analysis of the studied drugs either in their single or coformulated pharmaceutical products without any separation step. The optimized method was also compared with a reported HPLC method using paired t-test and F-ratio at 95% confidence level, and the results showed no significant difference regarding accuracy and precision. The developed method is eco-friendly, simple, fast, and amenable for routine analysis. It could be used as a cost-effective alternative to chromatographic techniques for the analysis of the studied drugs in commercial formulations.

Eco-friendly multivariate curve resolution-alternating least squares and chromatographic quantifications of some veterinary drug residues in pharmaceutical industrial wastewater

“…For optimizing the proposed MCR-ALS model several constraints can be applied like non-negativity, closure, unimodality and correlation constraints. 46 Non-negativity constraint enforces concentrations and/or spectra to be greater than or equal zero. Correlation constraint allows simultaneous quantitative analysis of analytes in the presence of unknown interfering substances leading to enhance the selectivity of the proposed model.…”

Simultaneous Determination of Drugs Affecting Central Nervous System (CNS) in Bulk and Pharmaceutical Formulations Using Multivariate Curve Resolution-Alternating Least Squares (MCR-ALS)

“…erefore, multivariate calibration models such as multivariate curve resolution (MCR) may be the method of choice to resolve such kind of severe spectral overlap. Such models have been reported to be a valid alternative to HPLC for pharmaceutical analysis [19,20]. MCR is a mathematical algorithm first proposed in 1995 [21].…”