Environmentally safe chemometric evaluation and data analysis for the kinetic investigation of mirabegron stability

Abstract

The physicochemical characteristics of different pharmaceuticals may change with transportation, storage, and usage which directly affect their efficacy, quality, and other features. It is crucial to investigate the kinetic action of pharmaceutical compounds to produce predictive data that aid in the computation of their shelf lives. Several conventional analytical methods introduce unwanted dangerous risks, like employing unsafe solvents, that harm both the analyst and the environment. This created the motive for analysts to apply green approaches that consider using safe chemicals and producing as little waste as possible. In this study, powerful green assessment methods were investigated to study the kinetic process of Mirabegron (MIR) in different hydrolytic conditions giving its main degradation product. First, the optimal solvent was identified for the given kinetic procedures with the aid of Principal Component Analysis. Then two advanced chemometric methods were applied to estimate the kinetic parameters of the MIR degradation process namely: Multivariate Curve Resolution-Alternating Least Squares and Artificial Neural Networks. By data manipulation, both algorithms could provide an explanation of the MIR kinetic process in different hydrolytic conditions. Moreover, modified National Environmental Methods Index (NEMI), eco-scale, Hexagon algorithm, Complementary Green Analytical Procedure Index (Complex GAPI), and analytical greenness metric for sample preparation (AGREEprep) were adopted to ensure the greenness of the proposed study. Eventually, the presented investigation could successfully present an eco-friendly chemometric approach for monitoring the different kinetic processes of pharmaceutical compounds with minimum effort and solvent consumption and maximum time saving and analyst safety compared to other traditional methods.