Resolution and quantification challenge of modern chemometric models in the determination of anti-migraine tablets containing ergotamine, caffeine, acetaminophen, and metoclopramide

Abstract

This study is a comparison between the performance of five multivariate models in the determination of the unique mixture of ergotamine (ERG), metoclopramide (MET), caffeine (CAF), and paracetamol (PAR) in laboratory-prepared mixtures and in pharmaceutical formulations. Two supervised learning machine methods-artificial neural networks (PC-ANN) preceded by principle component analysis and support vector regression (SVR)-were compared with a spectral residual augmented classical least squares (SRACLS) method, multicurve resolution alternating least squares (MCR-ALS) method, and principle component based method; partial least squares (PLS). The results showed the superiority of linear learning machine methods in handling extremely noisy and complex spectral data, especially during the determination of the challenging mixture under study. ERG (the component with a close to undetectable concentration and with the lowest ratio in the studied dosage form) was only determined using three chemometric models, with root mean squared error of prediction (RMSEP) for the proposed models of 0.0879, 0.0694, and 0.0250 for PLS, SVR and PC-ANN, respectively. In addition, the results suggest that ANN is the method of choice for the determination of mixtures with extreme conditions; for example, components with a very low contribution in the overall spectra, components with narrow informative range, and extremely nonlinear spectral data.

Application of novel nanocomposite-modified electrodes for identifying rice wines of different brands

“…In this paper, PCA (an unsupervised method), 44 LPP (a semi-supervised method) 45 and LDA (a supervised method) 46 were applied to reduce the dimensions of the original feature data, and these methods also displayed the classification results of the different brands of rice wine in two-dimensional or three-dimensional graphs. ELM, 47 LIBSVM 48 and BPNN 49 were applied to predict the rice wine brands. The best method for this experiment was selected according to the effect of various models.…”

A Rapid and Sensitive Stability-Indicating Eco-Friendly HPTLC Assay for Fluorescence Detection of Ergotamine

“…The simultaneous assessment of EGT, metoclopramide, caffeine, paracetamol, and domperidone in mixed dosage forms was also performed using a capillary electrophoresis technique [ 22 ]. For the assessment of EGT, metoclopramide, caffeine, and paracetamol simultaneously in mixed dose forms, a chemometry approach has also been applied [ 23 ]. An immunoassay method has also been created to detect EGT and dihydro-EGT simultaneously in plasma samples [ 24 ].…”

Greenness profile assessment of selective liquid chromatographic methods for determination of a quaternary antimigraine combination along with three of their related official impurities

“…To the best of our knowledge, only few analytical methods pertained to the determination of the aforesaid drugs in pharmaceutical formulation, including chemometric‐assisted spectrophotometric method (Elkhoudary, Salam, & Hadad, 2017), HPLC (Ibrahim & Wahba, 2014), high‐performance thin‐layer chromatography (HPTLC) (Farid, Naguib, Abdelhamid, Anwar, & Magdy, 2020) and capillary electrophoresis (Sultan et al, 2013). No previously reported method was revealed for determination of the four coformulated drugs, namely, PAR, CAF, MET and ERG) in tablets considering the presence of PAP, PNP and THEO as officially identified impurities or revealed to follow the aspects of green chemistry principles.…”