Three-way analysis of pH-UV absorbance dataset for the determination of paracetamol and its pKa value in presence of excipients

DİNÇ E., ERTEKİN ÖZKAN Z. C., Unal N.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, cilt.230, 2020 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 230
  • Basım Tarihi: 2020
  • Doi Numarası: 10.1016/j.saa.2020.118049
  • Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, BIOSIS, CAB Abstracts, Chimica, Compendex, EMBASE, INSPEC, MEDLINE, Veterinary Science Database
  • Anahtar Kelimeler: Multiway spectral analysis, PARAFAC, pKa determination, pH-UV spectra, Syrup, PARTIAL LEAST-SQUARES, MULTIVARIATE CALIBRATION, SPECTROPHOTOMETRIC DETERMINATION, CAPILLARY-ELECTROPHORESIS, DISSOCIATION-CONSTANTS, LIQUID-CHROMATOGRAPHY, 2ND-ORDER ADVANTAGE, MULTIWAY ANALYSIS, 3-MODE DATA, HPLC-DAD
  • Ankara Üniversitesi Adresli: Evet

Özet

A three-way analysis method, parallel factor analysis (PARAFAC) model was applied to the pH-absorbance dataset for the simultaneous determination of paracetamol and its acid-base dissociation constant in presence of excipient interference in a syrup formulation without using chemical pretreatment or chromatographic separation step. The UV spectroscopic data matrices of calibration set, validation and unknown samples were obtained from the absorbance measurements at the five different pH media, considering conjugate acid/base properties of the related drug. Their pH-absorbance data matrices were arranged as a cubic data array (wave-length x sample x pH) (425x52x5). Three-way array of pH-absorbance dataset was decomposed into a trilinear set of spectral, pH and relative concentration profiles of paracetamol and excipients in the commercial syrup using PARAFAC model. In the PARAFAC implementation, paracetamol in the commercial syrup formulation and its pKa value were simultaneously predicted from the relative concentration and pH profiles, respectively. In the method validation step of this study, the performance of PARAFAC model was checked by analyzing the validation samples in terms of selectivity, sensitivity, accuracy and precision of the method. The determination results of paracetamol and its pKa value provided from PARAFAC application were compared to those obtained by a newly developed ultra-performance liquid chromatography (UPLC) method, in terms of simplicity, applicability, interpretability with low cost and short analysis time. (C) 2020 Elsevier B.V. All rights reserved.